USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 481 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -1.89! (180deg=-2.17!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 103:sc= 0.588! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.41 F(o=-1.3!,f=-0.41) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= -0.146 (180deg=-0.858) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.501 K(o=-0.5,f=-1.3) USER MOD Single : A 53 HIS : no HD1:sc= -0.796 X(o=-0.8,f=-0.77) USER MOD Single : A 54 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-5.9!) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.86) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.27! C(o=-2.5!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.257 -44.834 1.223 1.00 0.00 N ATOM 2 CA MET A 1 12.122 -43.673 1.054 1.00 0.00 C ATOM 3 C MET A 1 11.335 -42.498 0.483 1.00 0.00 C ATOM 4 O MET A 1 11.908 -41.588 -0.117 1.00 0.00 O ATOM 5 CB MET A 1 13.282 -44.017 0.116 1.00 0.00 C ATOM 6 CG MET A 1 13.741 -45.453 0.378 1.00 0.00 C ATOM 7 SD MET A 1 15.541 -45.551 0.215 1.00 0.00 S ATOM 8 CE MET A 1 15.831 -46.694 1.587 1.00 0.00 C ATOM 0 H1 MET A 1 11.771 -45.578 1.736 1.00 0.00 H new ATOM 0 H2 MET A 1 10.412 -44.561 1.764 1.00 0.00 H new ATOM 0 H3 MET A 1 10.970 -45.192 0.290 1.00 0.00 H new ATOM 0 HA MET A 1 12.516 -43.392 2.031 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.969 -43.908 -0.922 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.109 -43.325 0.274 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.438 -45.766 1.377 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.264 -46.133 -0.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.898 -46.898 1.671 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.473 -46.248 2.515 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.297 -47.626 1.403 1.00 0.00 H new ATOM 18 N THR A 2 10.020 -42.525 0.673 1.00 0.00 N ATOM 19 CA THR A 2 9.164 -41.457 0.172 1.00 0.00 C ATOM 20 C THR A 2 9.154 -40.279 1.139 1.00 0.00 C ATOM 21 O THR A 2 8.574 -39.231 0.852 1.00 0.00 O ATOM 22 CB THR A 2 7.737 -41.977 -0.017 1.00 0.00 C ATOM 23 OG1 THR A 2 7.027 -41.856 1.207 1.00 0.00 O ATOM 24 CG2 THR A 2 7.779 -43.445 -0.444 1.00 0.00 C ATOM 0 H THR A 2 9.527 -43.269 1.167 1.00 0.00 H new ATOM 0 HA THR A 2 9.558 -41.121 -0.787 1.00 0.00 H new ATOM 0 HB THR A 2 7.235 -41.393 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.112 -42.187 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.762 -43.814 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.325 -43.535 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.280 -44.033 0.325 1.00 0.00 H new ATOM 32 N TYR A 3 9.800 -40.457 2.287 1.00 0.00 N ATOM 33 CA TYR A 3 9.859 -39.401 3.292 1.00 0.00 C ATOM 34 C TYR A 3 10.166 -38.056 2.642 1.00 0.00 C ATOM 35 O TYR A 3 9.772 -37.006 3.150 1.00 0.00 O ATOM 36 CB TYR A 3 10.937 -39.727 4.327 1.00 0.00 C ATOM 37 CG TYR A 3 10.334 -40.538 5.449 1.00 0.00 C ATOM 38 CD1 TYR A 3 9.518 -41.638 5.158 1.00 0.00 C ATOM 39 CD2 TYR A 3 10.591 -40.190 6.780 1.00 0.00 C ATOM 40 CE1 TYR A 3 8.959 -42.390 6.199 1.00 0.00 C ATOM 41 CE2 TYR A 3 10.032 -40.941 7.820 1.00 0.00 C ATOM 42 CZ TYR A 3 9.216 -42.040 7.529 1.00 0.00 C ATOM 43 OH TYR A 3 8.665 -42.782 8.556 1.00 0.00 O ATOM 0 H TYR A 3 10.287 -41.316 2.544 1.00 0.00 H new ATOM 0 HA TYR A 3 8.888 -39.339 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.749 -40.283 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.367 -38.806 4.721 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.320 -41.907 4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.221 -39.342 7.004 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.330 -43.239 5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.230 -40.673 8.847 1.00 0.00 H new ATOM 0 HH TYR A 3 8.943 -42.406 9.417 1.00 0.00 H new ATOM 53 N PHE A 4 10.874 -38.094 1.518 1.00 0.00 N ATOM 54 CA PHE A 4 11.231 -36.871 0.810 1.00 0.00 C ATOM 55 C PHE A 4 10.023 -36.300 0.074 1.00 0.00 C ATOM 56 O PHE A 4 9.903 -35.087 -0.095 1.00 0.00 O ATOM 57 CB PHE A 4 12.351 -37.157 -0.192 1.00 0.00 C ATOM 58 CG PHE A 4 13.691 -36.961 0.476 1.00 0.00 C ATOM 59 CD1 PHE A 4 13.843 -37.248 1.838 1.00 0.00 C ATOM 60 CD2 PHE A 4 14.782 -36.492 -0.266 1.00 0.00 C ATOM 61 CE1 PHE A 4 15.085 -37.067 2.457 1.00 0.00 C ATOM 62 CE2 PHE A 4 16.024 -36.311 0.353 1.00 0.00 C ATOM 63 CZ PHE A 4 16.176 -36.598 1.715 1.00 0.00 C ATOM 0 H PHE A 4 11.210 -38.952 1.081 1.00 0.00 H new ATOM 0 HA PHE A 4 11.573 -36.139 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.266 -38.177 -0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.262 -36.493 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 4 13.002 -37.609 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.665 -36.270 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 4 15.202 -37.289 3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.865 -35.950 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.134 -36.458 2.193 1.00 0.00 H new ATOM 73 N TYR A 5 9.131 -37.182 -0.364 1.00 0.00 N ATOM 74 CA TYR A 5 7.937 -36.753 -1.085 1.00 0.00 C ATOM 75 C TYR A 5 6.874 -36.243 -0.117 1.00 0.00 C ATOM 76 O TYR A 5 6.317 -35.161 -0.306 1.00 0.00 O ATOM 77 CB TYR A 5 7.370 -37.920 -1.895 1.00 0.00 C ATOM 78 CG TYR A 5 8.230 -38.151 -3.114 1.00 0.00 C ATOM 79 CD1 TYR A 5 9.416 -38.886 -3.003 1.00 0.00 C ATOM 80 CD2 TYR A 5 7.842 -37.630 -4.353 1.00 0.00 C ATOM 81 CE1 TYR A 5 10.215 -39.100 -4.132 1.00 0.00 C ATOM 82 CE2 TYR A 5 8.640 -37.845 -5.484 1.00 0.00 C ATOM 83 CZ TYR A 5 9.827 -38.580 -5.373 1.00 0.00 C ATOM 84 OH TYR A 5 10.613 -38.792 -6.486 1.00 0.00 O ATOM 0 H TYR A 5 9.210 -38.191 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 5 8.217 -35.942 -1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.339 -38.821 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.345 -37.704 -2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.715 -39.288 -2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.927 -37.062 -4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.131 -39.666 -4.046 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.340 -37.444 -6.441 1.00 0.00 H new ATOM 0 HH TYR A 5 10.199 -38.365 -7.265 1.00 0.00 H new ATOM 94 N VAL A 6 6.594 -37.030 0.917 1.00 0.00 N ATOM 95 CA VAL A 6 5.591 -36.647 1.906 1.00 0.00 C ATOM 96 C VAL A 6 6.002 -35.366 2.626 1.00 0.00 C ATOM 97 O VAL A 6 5.172 -34.695 3.237 1.00 0.00 O ATOM 98 CB VAL A 6 5.407 -37.773 2.924 1.00 0.00 C ATOM 99 CG1 VAL A 6 6.552 -37.737 3.938 1.00 0.00 C ATOM 100 CG2 VAL A 6 4.074 -37.585 3.652 1.00 0.00 C ATOM 0 H VAL A 6 7.043 -37.929 1.092 1.00 0.00 H new ATOM 0 HA VAL A 6 4.649 -36.468 1.388 1.00 0.00 H new ATOM 0 HB VAL A 6 5.409 -38.734 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.421 -38.540 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.502 -37.868 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.551 -36.777 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.940 -38.386 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.073 -36.624 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.258 -37.610 2.930 1.00 0.00 H new ATOM 110 N THR A 7 7.286 -35.034 2.550 1.00 0.00 N ATOM 111 CA THR A 7 7.792 -33.830 3.200 1.00 0.00 C ATOM 112 C THR A 7 7.461 -32.593 2.370 1.00 0.00 C ATOM 113 O THR A 7 7.109 -31.546 2.912 1.00 0.00 O ATOM 114 CB THR A 7 9.308 -33.934 3.382 1.00 0.00 C ATOM 115 OG1 THR A 7 9.606 -35.033 4.230 1.00 0.00 O ATOM 116 CG2 THR A 7 9.838 -32.644 4.011 1.00 0.00 C ATOM 0 H THR A 7 7.990 -35.576 2.050 1.00 0.00 H new ATOM 0 HA THR A 7 7.314 -33.737 4.175 1.00 0.00 H new ATOM 0 HB THR A 7 9.782 -34.084 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.926 -35.786 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.918 -32.719 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.608 -31.801 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.366 -32.492 4.982 1.00 0.00 H new ATOM 124 N ASP A 8 7.578 -32.722 1.052 1.00 0.00 N ATOM 125 CA ASP A 8 7.290 -31.607 0.156 1.00 0.00 C ATOM 126 C ASP A 8 5.793 -31.344 0.089 1.00 0.00 C ATOM 127 O ASP A 8 5.355 -30.252 -0.271 1.00 0.00 O ATOM 128 CB ASP A 8 7.824 -31.908 -1.246 1.00 0.00 C ATOM 129 CG ASP A 8 7.140 -33.149 -1.809 1.00 0.00 C ATOM 130 OD1 ASP A 8 5.963 -33.326 -1.540 1.00 0.00 O ATOM 131 OD2 ASP A 8 7.803 -33.904 -2.499 1.00 0.00 O ATOM 0 H ASP A 8 7.868 -33.580 0.583 1.00 0.00 H new ATOM 0 HA ASP A 8 7.784 -30.717 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.647 -31.056 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.902 -32.063 -1.208 1.00 0.00 H new ATOM 136 N TYR A 9 5.019 -32.357 0.439 1.00 0.00 N ATOM 137 CA TYR A 9 3.565 -32.244 0.419 1.00 0.00 C ATOM 138 C TYR A 9 3.095 -31.148 1.372 1.00 0.00 C ATOM 139 O TYR A 9 1.977 -30.647 1.252 1.00 0.00 O ATOM 140 CB TYR A 9 2.933 -33.577 0.820 1.00 0.00 C ATOM 141 CG TYR A 9 1.447 -33.527 0.561 1.00 0.00 C ATOM 142 CD1 TYR A 9 0.942 -33.893 -0.693 1.00 0.00 C ATOM 143 CD2 TYR A 9 0.572 -33.114 1.574 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.437 -33.847 -0.933 1.00 0.00 C ATOM 145 CE2 TYR A 9 -0.806 -33.068 1.333 1.00 0.00 C ATOM 146 CZ TYR A 9 -1.311 -33.434 0.079 1.00 0.00 C ATOM 147 OH TYR A 9 -2.668 -33.389 -0.157 1.00 0.00 O ATOM 0 H TYR A 9 5.369 -33.266 0.740 1.00 0.00 H new ATOM 0 HA TYR A 9 3.255 -31.984 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.385 -34.391 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.123 -33.779 1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.616 -34.211 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.961 -32.831 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.826 -34.130 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.480 -32.750 2.114 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.130 -33.082 0.651 1.00 0.00 H new ATOM 157 N LEU A 10 3.955 -30.782 2.317 1.00 0.00 N ATOM 158 CA LEU A 10 3.613 -29.746 3.284 1.00 0.00 C ATOM 159 C LEU A 10 4.164 -28.394 2.839 1.00 0.00 C ATOM 160 O LEU A 10 4.693 -27.632 3.649 1.00 0.00 O ATOM 161 CB LEU A 10 4.181 -30.103 4.658 1.00 0.00 C ATOM 162 CG LEU A 10 3.550 -29.204 5.720 1.00 0.00 C ATOM 163 CD1 LEU A 10 2.255 -29.842 6.224 1.00 0.00 C ATOM 164 CD2 LEU A 10 4.524 -29.036 6.888 1.00 0.00 C ATOM 0 H LEU A 10 4.885 -31.183 2.433 1.00 0.00 H new ATOM 0 HA LEU A 10 2.527 -29.681 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.979 -31.150 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.264 -29.980 4.659 1.00 0.00 H new ATOM 0 HG LEU A 10 3.329 -28.228 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.804 -29.201 6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.561 -29.963 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.475 -30.817 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.075 -28.395 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.744 -30.012 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.448 -28.582 6.529 1.00 0.00 H new ATOM 176 N ASP A 11 4.035 -28.103 1.550 1.00 0.00 N ATOM 177 CA ASP A 11 4.521 -26.843 1.008 1.00 0.00 C ATOM 178 C ASP A 11 3.493 -26.244 0.055 1.00 0.00 C ATOM 179 O ASP A 11 3.035 -26.905 -0.877 1.00 0.00 O ATOM 180 CB ASP A 11 5.841 -27.065 0.268 1.00 0.00 C ATOM 181 CG ASP A 11 6.657 -25.777 0.258 1.00 0.00 C ATOM 182 OD1 ASP A 11 6.056 -24.717 0.332 1.00 0.00 O ATOM 183 OD2 ASP A 11 7.871 -25.869 0.176 1.00 0.00 O ATOM 0 H ASP A 11 3.600 -28.720 0.864 1.00 0.00 H new ATOM 0 HA ASP A 11 4.684 -26.150 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.408 -27.861 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.644 -27.388 -0.754 1.00 0.00 H new ATOM 188 N VAL A 12 3.135 -24.991 0.299 1.00 0.00 N ATOM 189 CA VAL A 12 2.158 -24.306 -0.539 1.00 0.00 C ATOM 190 C VAL A 12 2.804 -23.823 -1.835 1.00 0.00 C ATOM 191 O VAL A 12 4.001 -23.539 -1.875 1.00 0.00 O ATOM 192 CB VAL A 12 1.572 -23.112 0.215 1.00 0.00 C ATOM 193 CG1 VAL A 12 0.468 -23.594 1.157 1.00 0.00 C ATOM 194 CG2 VAL A 12 2.675 -22.435 1.031 1.00 0.00 C ATOM 0 H VAL A 12 3.504 -24.429 1.066 1.00 0.00 H new ATOM 0 HA VAL A 12 1.362 -25.009 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 12 1.156 -22.401 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.051 -22.742 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.318 -24.079 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.884 -24.305 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.259 -21.583 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.090 -23.148 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.464 -22.091 0.362 1.00 0.00 H new ATOM 204 N PRO A 13 2.032 -23.724 -2.882 1.00 0.00 N ATOM 205 CA PRO A 13 2.528 -23.262 -4.212 1.00 0.00 C ATOM 206 C PRO A 13 2.962 -21.799 -4.180 1.00 0.00 C ATOM 207 O PRO A 13 2.544 -21.037 -3.308 1.00 0.00 O ATOM 208 CB PRO A 13 1.330 -23.459 -5.146 1.00 0.00 C ATOM 209 CG PRO A 13 0.128 -23.503 -4.260 1.00 0.00 C ATOM 210 CD PRO A 13 0.598 -24.044 -2.910 1.00 0.00 C ATOM 0 HA PRO A 13 3.410 -23.815 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.256 -22.643 -5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.428 -24.381 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.307 -22.510 -4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.644 -24.144 -4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.067 -23.572 -2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.426 -25.117 -2.828 1.00 0.00 H new ATOM 218 N SER A 14 3.806 -21.413 -5.131 1.00 0.00 N ATOM 219 CA SER A 14 4.291 -20.039 -5.193 1.00 0.00 C ATOM 220 C SER A 14 3.179 -19.093 -5.627 1.00 0.00 C ATOM 221 O SER A 14 3.281 -17.876 -5.453 1.00 0.00 O ATOM 222 CB SER A 14 5.464 -19.939 -6.169 1.00 0.00 C ATOM 223 OG SER A 14 6.657 -20.345 -5.510 1.00 0.00 O ATOM 0 H SER A 14 4.166 -22.026 -5.863 1.00 0.00 H new ATOM 0 HA SER A 14 4.625 -19.750 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.283 -20.569 -7.040 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.565 -18.916 -6.531 1.00 0.00 H new ATOM 0 HG SER A 14 7.411 -20.284 -6.132 1.00 0.00 H new ATOM 229 N ASN A 15 2.113 -19.653 -6.180 1.00 0.00 N ATOM 230 CA ASN A 15 0.992 -18.836 -6.616 1.00 0.00 C ATOM 231 C ASN A 15 0.485 -18.008 -5.445 1.00 0.00 C ATOM 232 O ASN A 15 -0.031 -16.904 -5.624 1.00 0.00 O ATOM 233 CB ASN A 15 -0.132 -19.726 -7.149 1.00 0.00 C ATOM 234 CG ASN A 15 -1.419 -18.919 -7.281 1.00 0.00 C ATOM 235 OD1 ASN A 15 -2.148 -18.692 -6.222 1.00 0.00 O flip ATOM 236 ND2 ASN A 15 -1.771 -18.485 -8.378 1.00 0.00 N flip ATOM 0 H ASN A 15 2.001 -20.655 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 15 1.321 -18.172 -7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.149 -20.139 -8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.289 -20.569 -6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.200 -18.663 -9.204 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.634 -17.947 -8.461 1.00 0.00 H new ATOM 243 N ILE A 16 0.652 -18.546 -4.239 1.00 0.00 N ATOM 244 CA ILE A 16 0.225 -17.847 -3.035 1.00 0.00 C ATOM 245 C ILE A 16 1.229 -16.769 -2.672 1.00 0.00 C ATOM 246 O ILE A 16 0.935 -15.844 -1.915 1.00 0.00 O ATOM 247 CB ILE A 16 0.071 -18.836 -1.877 1.00 0.00 C ATOM 248 CG1 ILE A 16 -1.148 -19.727 -2.126 1.00 0.00 C ATOM 249 CG2 ILE A 16 -0.121 -18.070 -0.569 1.00 0.00 C ATOM 250 CD1 ILE A 16 -1.202 -20.831 -1.067 1.00 0.00 C ATOM 0 H ILE A 16 1.077 -19.458 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.740 -17.378 -3.226 1.00 0.00 H new ATOM 0 HB ILE A 16 0.967 -19.453 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.060 -19.131 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.092 -20.167 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.230 -18.777 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.746 -17.435 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.016 -17.452 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.071 -21.465 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.296 -21.434 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.278 -20.382 -0.077 1.00 0.00 H new ATOM 262 N ALA A 17 2.412 -16.907 -3.233 1.00 0.00 N ATOM 263 CA ALA A 17 3.493 -15.954 -3.001 1.00 0.00 C ATOM 264 C ALA A 17 3.264 -14.681 -3.807 1.00 0.00 C ATOM 265 O ALA A 17 3.700 -13.597 -3.421 1.00 0.00 O ATOM 266 CB ALA A 17 4.827 -16.577 -3.408 1.00 0.00 C ATOM 0 H ALA A 17 2.657 -17.674 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 17 3.512 -15.703 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.631 -15.862 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.005 -17.475 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.798 -16.839 -4.466 1.00 0.00 H new ATOM 272 N LYS A 18 2.569 -14.830 -4.927 1.00 0.00 N ATOM 273 CA LYS A 18 2.271 -13.699 -5.796 1.00 0.00 C ATOM 274 C LYS A 18 0.969 -13.063 -5.358 1.00 0.00 C ATOM 275 O LYS A 18 0.764 -11.858 -5.501 1.00 0.00 O ATOM 276 CB LYS A 18 2.158 -14.164 -7.250 1.00 0.00 C ATOM 277 CG LYS A 18 3.010 -13.265 -8.148 1.00 0.00 C ATOM 278 CD LYS A 18 2.313 -11.914 -8.324 1.00 0.00 C ATOM 279 CE LYS A 18 3.316 -10.887 -8.854 1.00 0.00 C ATOM 280 NZ LYS A 18 2.592 -9.651 -9.264 1.00 0.00 N ATOM 0 H LYS A 18 2.201 -15.723 -5.255 1.00 0.00 H new ATOM 0 HA LYS A 18 3.078 -12.969 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.488 -15.199 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.117 -14.133 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.997 -13.123 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.159 -13.739 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.477 -12.012 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.901 -11.578 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.052 -10.652 -8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.862 -11.300 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.273 -8.953 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.906 -9.882 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.091 -9.254 -8.444 1.00 0.00 H new ATOM 294 N ILE A 19 0.106 -13.889 -4.792 1.00 0.00 N ATOM 295 CA ILE A 19 -1.170 -13.415 -4.292 1.00 0.00 C ATOM 296 C ILE A 19 -0.967 -12.880 -2.887 1.00 0.00 C ATOM 297 O ILE A 19 -1.800 -12.148 -2.353 1.00 0.00 O ATOM 298 CB ILE A 19 -2.192 -14.553 -4.274 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.361 -15.111 -5.690 1.00 0.00 C ATOM 300 CG2 ILE A 19 -3.535 -14.025 -3.768 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.286 -14.200 -6.500 1.00 0.00 C ATOM 0 H ILE A 19 0.266 -14.889 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.549 -12.627 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.842 -15.345 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.390 -15.186 -6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.775 -16.118 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.263 -14.836 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.414 -13.630 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.886 -13.232 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.402 -14.602 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.261 -14.148 -6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.854 -13.201 -6.556 1.00 0.00 H new ATOM 313 N ILE A 20 0.164 -13.258 -2.297 1.00 0.00 N ATOM 314 CA ILE A 20 0.499 -12.817 -0.947 1.00 0.00 C ATOM 315 C ILE A 20 1.073 -11.402 -0.975 1.00 0.00 C ATOM 316 O ILE A 20 0.631 -10.528 -0.230 1.00 0.00 O ATOM 317 CB ILE A 20 1.522 -13.775 -0.323 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.785 -14.915 0.386 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.393 -13.022 0.688 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.500 -14.526 1.839 1.00 0.00 C ATOM 0 H ILE A 20 0.860 -13.865 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.411 -12.817 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 20 2.158 -14.183 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.149 -15.133 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.386 -15.824 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.117 -13.708 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.920 -12.213 0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.762 -12.608 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.024 -15.341 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.440 -14.330 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.119 -13.629 1.861 1.00 0.00 H new ATOM 332 N ILE A 21 2.064 -11.188 -1.835 1.00 0.00 N ATOM 333 CA ILE A 21 2.698 -9.879 -1.949 1.00 0.00 C ATOM 334 C ILE A 21 1.938 -8.987 -2.926 1.00 0.00 C ATOM 335 O ILE A 21 1.734 -7.802 -2.668 1.00 0.00 O ATOM 336 CB ILE A 21 4.142 -10.043 -2.422 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.916 -8.750 -2.154 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.155 -10.343 -3.922 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.479 -8.775 -0.732 1.00 0.00 C ATOM 0 H ILE A 21 2.444 -11.899 -2.460 1.00 0.00 H new ATOM 0 HA ILE A 21 2.684 -9.406 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 21 4.611 -10.866 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.726 -8.643 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.260 -7.889 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.184 -10.460 -4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.603 -11.263 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.687 -9.520 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.030 -7.854 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.660 -8.861 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.149 -9.628 -0.621 1.00 0.00 H new ATOM 351 N GLY A 22 1.525 -9.564 -4.050 1.00 0.00 N ATOM 352 CA GLY A 22 0.792 -8.807 -5.060 1.00 0.00 C ATOM 353 C GLY A 22 -0.115 -7.758 -4.419 1.00 0.00 C ATOM 354 O GLY A 22 -0.036 -6.570 -4.743 1.00 0.00 O ATOM 0 H GLY A 22 1.683 -10.544 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.496 -8.319 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.193 -9.488 -5.664 1.00 0.00 H new ATOM 358 N PRO A 23 -0.971 -8.176 -3.526 1.00 0.00 N ATOM 359 CA PRO A 23 -1.921 -7.259 -2.827 1.00 0.00 C ATOM 360 C PRO A 23 -1.210 -6.075 -2.177 1.00 0.00 C ATOM 361 O PRO A 23 -1.733 -4.960 -2.165 1.00 0.00 O ATOM 362 CB PRO A 23 -2.581 -8.147 -1.768 1.00 0.00 C ATOM 363 CG PRO A 23 -2.412 -9.547 -2.257 1.00 0.00 C ATOM 364 CD PRO A 23 -1.129 -9.569 -3.085 1.00 0.00 C ATOM 0 HA PRO A 23 -2.636 -6.814 -3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.110 -8.012 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.635 -7.898 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.346 -10.244 -1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.267 -9.853 -2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.276 -9.900 -2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.212 -10.250 -3.932 1.00 0.00 H new ATOM 372 N LEU A 24 -0.018 -6.317 -1.642 1.00 0.00 N ATOM 373 CA LEU A 24 0.743 -5.251 -1.002 1.00 0.00 C ATOM 374 C LEU A 24 1.455 -4.411 -2.048 1.00 0.00 C ATOM 375 O LEU A 24 1.567 -3.192 -1.907 1.00 0.00 O ATOM 376 CB LEU A 24 1.760 -5.836 -0.020 1.00 0.00 C ATOM 377 CG LEU A 24 2.588 -4.705 0.595 1.00 0.00 C ATOM 378 CD1 LEU A 24 2.545 -4.809 2.121 1.00 0.00 C ATOM 379 CD2 LEU A 24 4.038 -4.818 0.119 1.00 0.00 C ATOM 0 H LEU A 24 0.437 -7.230 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 24 0.050 -4.615 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.246 -6.392 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.413 -6.541 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 24 2.175 -3.745 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.135 -4.003 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.513 -4.729 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.956 -5.769 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.628 -4.013 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.449 -5.779 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.071 -4.743 -0.968 1.00 0.00 H new ATOM 391 N ILE A 25 1.914 -5.058 -3.109 1.00 0.00 N ATOM 392 CA ILE A 25 2.585 -4.342 -4.179 1.00 0.00 C ATOM 393 C ILE A 25 1.718 -3.166 -4.601 1.00 0.00 C ATOM 394 O ILE A 25 2.218 -2.109 -4.984 1.00 0.00 O ATOM 395 CB ILE A 25 2.823 -5.269 -5.373 1.00 0.00 C ATOM 396 CG1 ILE A 25 4.143 -6.024 -5.179 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.890 -4.446 -6.662 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.308 -5.031 -5.123 1.00 0.00 C ATOM 0 H ILE A 25 1.835 -6.065 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 25 3.552 -3.983 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 25 2.002 -5.982 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.107 -6.607 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.293 -6.728 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.060 -5.110 -7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.950 -3.912 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.708 -3.729 -6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.243 -5.574 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.350 -4.467 -6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.161 -4.344 -4.289 1.00 0.00 H new ATOM 410 N PHE A 26 0.404 -3.364 -4.517 1.00 0.00 N ATOM 411 CA PHE A 26 -0.545 -2.320 -4.883 1.00 0.00 C ATOM 412 C PHE A 26 -0.467 -1.158 -3.895 1.00 0.00 C ATOM 413 O PHE A 26 -0.549 0.006 -4.285 1.00 0.00 O ATOM 414 CB PHE A 26 -1.966 -2.887 -4.891 1.00 0.00 C ATOM 415 CG PHE A 26 -2.383 -3.192 -6.310 1.00 0.00 C ATOM 416 CD1 PHE A 26 -2.745 -2.151 -7.173 1.00 0.00 C ATOM 417 CD2 PHE A 26 -2.409 -4.517 -6.762 1.00 0.00 C ATOM 418 CE1 PHE A 26 -3.134 -2.435 -8.488 1.00 0.00 C ATOM 419 CE2 PHE A 26 -2.798 -4.801 -8.077 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.160 -3.760 -8.940 1.00 0.00 C ATOM 0 H PHE A 26 -0.024 -4.234 -4.200 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.292 -1.956 -5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.010 -3.793 -4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.656 -2.171 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.724 -1.129 -6.825 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.129 -5.320 -6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.414 -1.632 -9.154 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.819 -5.823 -8.425 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.459 -3.979 -9.954 1.00 0.00 H new ATOM 430 N VAL A 27 -0.307 -1.487 -2.617 1.00 0.00 N ATOM 431 CA VAL A 27 -0.218 -0.463 -1.580 1.00 0.00 C ATOM 432 C VAL A 27 1.025 0.395 -1.782 1.00 0.00 C ATOM 433 O VAL A 27 0.985 1.614 -1.611 1.00 0.00 O ATOM 434 CB VAL A 27 -0.168 -1.120 -0.200 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.047 -0.040 0.879 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.449 -1.927 0.026 1.00 0.00 C ATOM 0 H VAL A 27 -0.237 -2.446 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.100 0.173 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 27 0.695 -1.783 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.012 -0.510 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.865 0.534 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.909 0.625 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.415 -2.396 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.312 -1.263 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.534 -2.697 -0.741 1.00 0.00 H new ATOM 446 N PHE A 28 2.127 -0.249 -2.150 1.00 0.00 N ATOM 447 CA PHE A 28 3.377 0.465 -2.377 1.00 0.00 C ATOM 448 C PHE A 28 3.235 1.420 -3.555 1.00 0.00 C ATOM 449 O PHE A 28 3.700 2.558 -3.504 1.00 0.00 O ATOM 450 CB PHE A 28 4.507 -0.529 -2.655 1.00 0.00 C ATOM 451 CG PHE A 28 5.839 0.140 -2.415 1.00 0.00 C ATOM 452 CD1 PHE A 28 6.437 0.893 -3.433 1.00 0.00 C ATOM 453 CD2 PHE A 28 6.474 0.009 -1.176 1.00 0.00 C ATOM 454 CE1 PHE A 28 7.671 1.514 -3.210 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.708 0.630 -0.952 1.00 0.00 C ATOM 456 CZ PHE A 28 8.307 1.383 -1.970 1.00 0.00 C ATOM 0 H PHE A 28 2.180 -1.257 -2.297 1.00 0.00 H new ATOM 0 HA PHE A 28 3.615 1.039 -1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.405 -1.401 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.447 -0.885 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.946 0.994 -4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.012 -0.572 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.133 2.095 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.198 0.529 0.005 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.259 1.862 -1.798 1.00 0.00 H new ATOM 466 N LEU A 29 2.583 0.951 -4.612 1.00 0.00 N ATOM 467 CA LEU A 29 2.377 1.776 -5.794 1.00 0.00 C ATOM 468 C LEU A 29 1.537 2.996 -5.438 1.00 0.00 C ATOM 469 O LEU A 29 1.719 4.076 -5.999 1.00 0.00 O ATOM 470 CB LEU A 29 1.671 0.966 -6.884 1.00 0.00 C ATOM 471 CG LEU A 29 2.708 0.404 -7.858 1.00 0.00 C ATOM 472 CD1 LEU A 29 3.288 1.542 -8.702 1.00 0.00 C ATOM 473 CD2 LEU A 29 3.832 -0.272 -7.068 1.00 0.00 C ATOM 0 H LEU A 29 2.191 0.011 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 29 3.348 2.105 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.101 0.153 -6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.960 1.597 -7.418 1.00 0.00 H new ATOM 0 HG LEU A 29 2.234 -0.326 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.027 1.141 -9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.487 2.023 -9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.764 2.274 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.572 -0.673 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.306 0.458 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.419 -1.083 -6.468 1.00 0.00 H new ATOM 485 N PHE A 30 0.616 2.811 -4.498 1.00 0.00 N ATOM 486 CA PHE A 30 -0.252 3.900 -4.067 1.00 0.00 C ATOM 487 C PHE A 30 0.505 4.859 -3.153 1.00 0.00 C ATOM 488 O PHE A 30 0.275 6.067 -3.181 1.00 0.00 O ATOM 489 CB PHE A 30 -1.469 3.336 -3.326 1.00 0.00 C ATOM 490 CG PHE A 30 -2.722 3.611 -4.124 1.00 0.00 C ATOM 491 CD1 PHE A 30 -2.758 3.320 -5.494 1.00 0.00 C ATOM 492 CD2 PHE A 30 -3.847 4.156 -3.494 1.00 0.00 C ATOM 493 CE1 PHE A 30 -3.919 3.575 -6.233 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.008 4.410 -4.234 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.044 4.120 -5.603 1.00 0.00 C ATOM 0 H PHE A 30 0.452 1.923 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.586 4.446 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.350 2.263 -3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.548 3.790 -2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.890 2.899 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.819 4.380 -2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.947 3.351 -7.289 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.876 4.830 -3.748 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.940 4.317 -6.173 1.00 0.00 H new ATOM 505 N SER A 31 1.405 4.313 -2.342 1.00 0.00 N ATOM 506 CA SER A 31 2.184 5.134 -1.421 1.00 0.00 C ATOM 507 C SER A 31 3.154 6.028 -2.182 1.00 0.00 C ATOM 508 O SER A 31 3.394 7.172 -1.796 1.00 0.00 O ATOM 509 CB SER A 31 2.959 4.242 -0.452 1.00 0.00 C ATOM 510 OG SER A 31 3.685 5.058 0.458 1.00 0.00 O ATOM 0 H SER A 31 1.612 3.315 -2.303 1.00 0.00 H new ATOM 0 HA SER A 31 1.495 5.766 -0.860 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.272 3.593 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.642 3.594 -1.002 1.00 0.00 H new ATOM 0 HG SER A 31 4.182 4.489 1.082 1.00 0.00 H new ATOM 516 N VAL A 32 3.711 5.495 -3.258 1.00 0.00 N ATOM 517 CA VAL A 32 4.664 6.248 -4.068 1.00 0.00 C ATOM 518 C VAL A 32 3.969 7.391 -4.805 1.00 0.00 C ATOM 519 O VAL A 32 4.435 8.530 -4.781 1.00 0.00 O ATOM 520 CB VAL A 32 5.335 5.322 -5.084 1.00 0.00 C ATOM 521 CG1 VAL A 32 6.431 6.090 -5.826 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.955 4.129 -4.353 1.00 0.00 C ATOM 0 H VAL A 32 3.523 4.550 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 32 5.417 6.668 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 32 4.593 4.966 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.910 5.431 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.991 6.941 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.174 6.445 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.434 3.468 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.698 4.486 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.176 3.582 -3.822 1.00 0.00 H new ATOM 532 N VAL A 33 2.857 7.079 -5.462 1.00 0.00 N ATOM 533 CA VAL A 33 2.112 8.090 -6.206 1.00 0.00 C ATOM 534 C VAL A 33 1.439 9.075 -5.255 1.00 0.00 C ATOM 535 O VAL A 33 1.657 10.284 -5.340 1.00 0.00 O ATOM 536 CB VAL A 33 1.053 7.417 -7.081 1.00 0.00 C ATOM 537 CG1 VAL A 33 1.741 6.575 -8.157 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.175 6.513 -6.213 1.00 0.00 C ATOM 0 H VAL A 33 2.454 6.143 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 33 2.812 8.637 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 33 0.435 8.180 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.987 6.095 -8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.369 7.217 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.358 5.812 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.580 6.033 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.794 5.750 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.315 7.111 -5.444 1.00 0.00 H new ATOM 548 N ILE A 34 0.618 8.548 -4.355 1.00 0.00 N ATOM 549 CA ILE A 34 -0.089 9.386 -3.391 1.00 0.00 C ATOM 550 C ILE A 34 0.894 10.143 -2.507 1.00 0.00 C ATOM 551 O ILE A 34 0.542 11.144 -1.882 1.00 0.00 O ATOM 552 CB ILE A 34 -0.999 8.520 -2.520 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.085 9.393 -1.885 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.169 7.860 -1.418 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.256 8.512 -1.446 1.00 0.00 C ATOM 0 H ILE A 34 0.425 7.550 -4.271 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.690 10.110 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.466 7.752 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.679 9.931 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.427 10.142 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.816 7.242 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.604 7.237 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.298 8.630 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.029 9.133 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.667 7.995 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.907 7.780 -0.718 1.00 0.00 H new ATOM 567 N GLY A 35 2.120 9.648 -2.449 1.00 0.00 N ATOM 568 CA GLY A 35 3.150 10.268 -1.624 1.00 0.00 C ATOM 569 C GLY A 35 3.685 11.547 -2.246 1.00 0.00 C ATOM 570 O GLY A 35 3.631 12.616 -1.637 1.00 0.00 O ATOM 0 H GLY A 35 2.428 8.821 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.741 10.488 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.970 9.565 -1.479 1.00 0.00 H new ATOM 574 N SER A 36 4.195 11.434 -3.463 1.00 0.00 N ATOM 575 CA SER A 36 4.727 12.593 -4.156 1.00 0.00 C ATOM 576 C SER A 36 3.583 13.518 -4.513 1.00 0.00 C ATOM 577 O SER A 36 3.757 14.727 -4.661 1.00 0.00 O ATOM 578 CB SER A 36 5.462 12.160 -5.426 1.00 0.00 C ATOM 579 OG SER A 36 4.518 11.674 -6.371 1.00 0.00 O ATOM 0 H SER A 36 4.251 10.560 -3.985 1.00 0.00 H new ATOM 0 HA SER A 36 5.434 13.111 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.014 13.001 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.192 11.385 -5.192 1.00 0.00 H new ATOM 0 HG SER A 36 4.985 11.397 -7.187 1.00 0.00 H new ATOM 585 N ILE A 37 2.406 12.925 -4.644 1.00 0.00 N ATOM 586 CA ILE A 37 1.209 13.687 -4.982 1.00 0.00 C ATOM 587 C ILE A 37 0.718 14.477 -3.774 1.00 0.00 C ATOM 588 O ILE A 37 0.241 15.604 -3.908 1.00 0.00 O ATOM 589 CB ILE A 37 0.109 12.746 -5.467 1.00 0.00 C ATOM 590 CG1 ILE A 37 0.351 12.396 -6.937 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.250 13.434 -5.323 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.545 11.223 -7.339 1.00 0.00 C ATOM 0 H ILE A 37 2.252 11.924 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 37 1.459 14.387 -5.779 1.00 0.00 H new ATOM 0 HB ILE A 37 0.119 11.834 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.140 13.260 -7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.398 12.137 -7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.036 12.763 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.422 13.685 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.262 14.345 -5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.372 10.975 -8.386 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.313 10.358 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.590 11.499 -7.200 1.00 0.00 H new ATOM 604 N TYR A 38 0.834 13.873 -2.597 1.00 0.00 N ATOM 605 CA TYR A 38 0.394 14.520 -1.364 1.00 0.00 C ATOM 606 C TYR A 38 0.899 15.959 -1.300 1.00 0.00 C ATOM 607 O TYR A 38 0.117 16.894 -1.131 1.00 0.00 O ATOM 608 CB TYR A 38 0.913 13.739 -0.154 1.00 0.00 C ATOM 609 CG TYR A 38 -0.244 13.093 0.573 1.00 0.00 C ATOM 610 CD1 TYR A 38 -1.311 13.877 1.025 1.00 0.00 C ATOM 611 CD2 TYR A 38 -0.247 11.711 0.793 1.00 0.00 C ATOM 612 CE1 TYR A 38 -2.382 13.279 1.699 1.00 0.00 C ATOM 613 CE2 TYR A 38 -1.318 11.112 1.467 1.00 0.00 C ATOM 614 CZ TYR A 38 -2.386 11.896 1.920 1.00 0.00 C ATOM 615 OH TYR A 38 -3.443 11.307 2.584 1.00 0.00 O ATOM 0 H TYR A 38 1.227 12.940 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.696 14.532 -1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.622 12.977 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.450 14.408 0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.308 14.943 0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.577 11.107 0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.205 13.884 2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.320 10.046 1.637 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.289 10.342 2.652 1.00 0.00 H new ATOM 625 N LEU A 39 2.211 16.127 -1.432 1.00 0.00 N ATOM 626 CA LEU A 39 2.811 17.456 -1.381 1.00 0.00 C ATOM 627 C LEU A 39 1.999 18.450 -2.209 1.00 0.00 C ATOM 628 O LEU A 39 1.871 19.616 -1.839 1.00 0.00 O ATOM 629 CB LEU A 39 4.247 17.398 -1.909 1.00 0.00 C ATOM 630 CG LEU A 39 5.222 17.767 -0.788 1.00 0.00 C ATOM 631 CD1 LEU A 39 6.655 17.489 -1.246 1.00 0.00 C ATOM 632 CD2 LEU A 39 5.073 19.253 -0.454 1.00 0.00 C ATOM 0 H LEU A 39 2.875 15.366 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 39 2.817 17.791 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.468 16.398 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.365 18.084 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 39 5.002 17.170 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.349 17.752 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.761 16.431 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.876 18.086 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.766 19.518 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.294 19.849 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.052 19.452 -0.128 1.00 0.00 H new ATOM 644 N PHE A 40 1.455 17.983 -3.329 1.00 0.00 N ATOM 645 CA PHE A 40 0.662 18.846 -4.197 1.00 0.00 C ATOM 646 C PHE A 40 -0.677 19.179 -3.544 1.00 0.00 C ATOM 647 O PHE A 40 -1.192 20.287 -3.692 1.00 0.00 O ATOM 648 CB PHE A 40 0.419 18.158 -5.541 1.00 0.00 C ATOM 649 CG PHE A 40 -0.079 19.173 -6.542 1.00 0.00 C ATOM 650 CD1 PHE A 40 0.820 20.057 -7.148 1.00 0.00 C ATOM 651 CD2 PHE A 40 -1.440 19.228 -6.864 1.00 0.00 C ATOM 652 CE1 PHE A 40 0.360 20.999 -8.076 1.00 0.00 C ATOM 653 CE2 PHE A 40 -1.902 20.170 -7.792 1.00 0.00 C ATOM 654 CZ PHE A 40 -1.002 21.055 -8.398 1.00 0.00 C ATOM 0 H PHE A 40 1.548 17.021 -3.654 1.00 0.00 H new ATOM 0 HA PHE A 40 1.215 19.771 -4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.341 17.700 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.311 17.357 -5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.870 20.013 -6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.134 18.544 -6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.054 21.682 -8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.952 20.214 -8.040 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.358 21.781 -9.114 1.00 0.00 H new ATOM 664 N LEU A 41 -1.234 18.212 -2.824 1.00 0.00 N ATOM 665 CA LEU A 41 -2.513 18.413 -2.153 1.00 0.00 C ATOM 666 C LEU A 41 -2.352 19.348 -0.963 1.00 0.00 C ATOM 667 O LEU A 41 -3.332 19.831 -0.395 1.00 0.00 O ATOM 668 CB LEU A 41 -3.079 17.071 -1.686 1.00 0.00 C ATOM 669 CG LEU A 41 -4.247 16.664 -2.588 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.803 16.717 -4.053 1.00 0.00 C ATOM 671 CD2 LEU A 41 -4.686 15.239 -2.238 1.00 0.00 C ATOM 0 H LEU A 41 -0.824 17.288 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.206 18.866 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.302 16.308 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.414 17.147 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.081 17.350 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.634 16.427 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.488 17.731 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.970 16.031 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.518 14.947 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.852 14.554 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.001 15.201 -1.195 1.00 0.00 H new ATOM 683 N ARG A 42 -1.106 19.591 -0.593 1.00 0.00 N ATOM 684 CA ARG A 42 -0.805 20.466 0.534 1.00 0.00 C ATOM 685 C ARG A 42 -1.193 21.907 0.219 1.00 0.00 C ATOM 686 O ARG A 42 -1.161 22.774 1.093 1.00 0.00 O ATOM 687 CB ARG A 42 0.688 20.397 0.866 1.00 0.00 C ATOM 688 CG ARG A 42 0.936 21.013 2.246 1.00 0.00 C ATOM 689 CD ARG A 42 1.924 22.174 2.119 1.00 0.00 C ATOM 690 NE ARG A 42 3.054 21.786 1.283 1.00 0.00 N ATOM 691 CZ ARG A 42 3.795 22.697 0.662 1.00 0.00 C ATOM 692 NH1 ARG A 42 3.522 23.966 0.802 1.00 0.00 N ATOM 693 NH2 ARG A 42 4.798 22.325 -0.084 1.00 0.00 N ATOM 0 H ARG A 42 -0.286 19.197 -1.054 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.385 20.128 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.026 19.361 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.264 20.930 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.003 21.366 2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.331 20.259 2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.424 23.041 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.278 22.469 3.107 1.00 0.00 H new ATOM 0 HE ARG A 42 3.280 20.797 1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.740 24.258 1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.091 24.666 0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.014 21.334 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.366 23.025 -0.560 1.00 0.00 H new ATOM 707 N LYS A 43 -1.562 22.155 -1.033 1.00 0.00 N ATOM 708 CA LYS A 43 -1.960 23.496 -1.449 1.00 0.00 C ATOM 709 C LYS A 43 -3.463 23.549 -1.700 1.00 0.00 C ATOM 710 O LYS A 43 -3.963 24.469 -2.350 1.00 0.00 O ATOM 711 CB LYS A 43 -1.214 23.893 -2.726 1.00 0.00 C ATOM 712 CG LYS A 43 0.284 23.637 -2.546 1.00 0.00 C ATOM 713 CD LYS A 43 1.002 23.853 -3.880 1.00 0.00 C ATOM 714 CE LYS A 43 2.463 24.226 -3.621 1.00 0.00 C ATOM 715 NZ LYS A 43 2.528 25.559 -2.958 1.00 0.00 N ATOM 0 H LYS A 43 -1.594 21.453 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.707 24.195 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.592 23.320 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.389 24.945 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.690 24.308 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.450 22.620 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.949 22.947 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.509 24.643 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.935 23.472 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.015 24.248 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.455 25.993 -3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.778 26.172 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.397 25.444 -1.933 1.00 0.00 H new ATOM 729 N ARG A 44 -4.178 22.555 -1.184 1.00 0.00 N ATOM 730 CA ARG A 44 -5.623 22.494 -1.358 1.00 0.00 C ATOM 731 C ARG A 44 -6.290 23.737 -0.778 1.00 0.00 C ATOM 732 O ARG A 44 -5.692 24.460 0.018 1.00 0.00 O ATOM 733 CB ARG A 44 -6.179 21.246 -0.669 1.00 0.00 C ATOM 734 CG ARG A 44 -6.137 20.067 -1.642 1.00 0.00 C ATOM 735 CD ARG A 44 -7.518 19.876 -2.273 1.00 0.00 C ATOM 736 NE ARG A 44 -7.471 18.821 -3.279 1.00 0.00 N ATOM 737 CZ ARG A 44 -8.381 18.753 -4.245 1.00 0.00 C ATOM 738 NH1 ARG A 44 -9.336 19.641 -4.307 1.00 0.00 N ATOM 739 NH2 ARG A 44 -8.319 17.798 -5.133 1.00 0.00 N ATOM 0 H ARG A 44 -3.782 21.785 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.838 22.448 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.594 21.018 0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.203 21.424 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.393 20.248 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.836 19.160 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.246 19.622 -1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.850 20.809 -2.729 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.727 18.124 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.384 20.388 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.034 19.588 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.572 17.105 -5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.017 17.745 -5.875 1.00 0.00 H new ATOM 753 N GLN A 45 -7.532 23.979 -1.186 1.00 0.00 N ATOM 754 CA GLN A 45 -8.273 25.139 -0.704 1.00 0.00 C ATOM 755 C GLN A 45 -7.711 26.421 -1.307 1.00 0.00 C ATOM 756 O GLN A 45 -7.371 27.362 -0.590 1.00 0.00 O ATOM 757 CB GLN A 45 -8.193 25.213 0.823 1.00 0.00 C ATOM 758 CG GLN A 45 -9.340 26.075 1.353 1.00 0.00 C ATOM 759 CD GLN A 45 -9.385 26.004 2.876 1.00 0.00 C ATOM 760 OE1 GLN A 45 -10.063 25.144 3.439 1.00 0.00 O ATOM 761 NE2 GLN A 45 -8.699 26.862 3.580 1.00 0.00 N ATOM 0 H GLN A 45 -8.043 23.392 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.314 25.034 -1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.249 24.212 1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.236 25.636 1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.207 27.108 1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.287 25.731 0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.138 27.573 3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.724 26.821 4.599 1.00 0.00 H new ATOM 770 N PRO A 46 -7.611 26.471 -2.607 1.00 0.00 N ATOM 771 CA PRO A 46 -7.081 27.660 -3.332 1.00 0.00 C ATOM 772 C PRO A 46 -8.044 28.841 -3.271 1.00 0.00 C ATOM 773 O PRO A 46 -9.120 28.808 -3.867 1.00 0.00 O ATOM 774 CB PRO A 46 -6.908 27.168 -4.770 1.00 0.00 C ATOM 775 CG PRO A 46 -7.847 26.017 -4.916 1.00 0.00 C ATOM 776 CD PRO A 46 -7.997 25.391 -3.529 1.00 0.00 C ATOM 0 HA PRO A 46 -6.153 28.026 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.141 27.957 -5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.879 26.861 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.812 26.351 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.459 25.289 -5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.020 25.059 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.354 24.519 -3.413 1.00 0.00 H new ATOM 784 N ASP A 47 -7.653 29.879 -2.538 1.00 0.00 N ATOM 785 CA ASP A 47 -8.485 31.059 -2.397 1.00 0.00 C ATOM 786 C ASP A 47 -8.599 31.802 -3.718 1.00 0.00 C ATOM 787 O ASP A 47 -8.595 33.033 -3.761 1.00 0.00 O ATOM 788 CB ASP A 47 -7.915 31.986 -1.323 1.00 0.00 C ATOM 789 CG ASP A 47 -8.783 33.234 -1.199 1.00 0.00 C ATOM 790 OD1 ASP A 47 -9.969 33.136 -1.466 1.00 0.00 O ATOM 791 OD2 ASP A 47 -8.247 34.269 -0.840 1.00 0.00 O ATOM 0 H ASP A 47 -6.767 29.923 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.482 30.737 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.873 31.465 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.893 32.267 -1.578 1.00 0.00 H new ATOM 796 N GLY A 48 -8.700 31.037 -4.790 1.00 0.00 N ATOM 797 CA GLY A 48 -8.817 31.612 -6.124 1.00 0.00 C ATOM 798 C GLY A 48 -9.357 30.585 -7.114 1.00 0.00 C ATOM 799 O GLY A 48 -8.671 30.201 -8.063 1.00 0.00 O ATOM 0 H GLY A 48 -8.704 30.017 -4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.479 32.478 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.842 31.967 -6.458 1.00 0.00 H new ATOM 803 N PRO A 49 -10.567 30.142 -6.909 1.00 0.00 N ATOM 804 CA PRO A 49 -11.220 29.138 -7.799 1.00 0.00 C ATOM 805 C PRO A 49 -11.183 29.562 -9.264 1.00 0.00 C ATOM 806 O PRO A 49 -11.779 30.572 -9.643 1.00 0.00 O ATOM 807 CB PRO A 49 -12.662 29.072 -7.287 1.00 0.00 C ATOM 808 CG PRO A 49 -12.616 29.572 -5.882 1.00 0.00 C ATOM 809 CD PRO A 49 -11.443 30.550 -5.802 1.00 0.00 C ATOM 0 HA PRO A 49 -10.711 28.175 -7.768 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -13.323 29.685 -7.899 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.045 28.052 -7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.551 30.066 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.481 28.747 -5.182 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.775 31.582 -5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.931 30.483 -4.842 1.00 0.00 H new ATOM 817 N LEU A 50 -10.483 28.786 -10.082 1.00 0.00 N ATOM 818 CA LEU A 50 -10.376 29.092 -11.504 1.00 0.00 C ATOM 819 C LEU A 50 -11.338 28.224 -12.310 1.00 0.00 C ATOM 820 O LEU A 50 -11.998 27.341 -11.764 1.00 0.00 O ATOM 821 CB LEU A 50 -8.943 28.853 -11.983 1.00 0.00 C ATOM 822 CG LEU A 50 -7.964 29.443 -10.967 1.00 0.00 C ATOM 823 CD1 LEU A 50 -6.529 29.223 -11.451 1.00 0.00 C ATOM 824 CD2 LEU A 50 -8.227 30.944 -10.820 1.00 0.00 C ATOM 0 H LEU A 50 -9.984 27.946 -9.789 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.637 30.140 -11.654 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.761 27.785 -12.102 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.792 29.313 -12.960 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.101 28.952 -10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.832 29.644 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.341 28.155 -11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.391 29.714 -12.414 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.530 31.366 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.090 31.434 -11.784 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.249 31.102 -10.475 1.00 0.00 H new ATOM 836 N GLU A 51 -11.412 28.484 -13.612 1.00 0.00 N ATOM 837 CA GLU A 51 -12.300 27.720 -14.480 1.00 0.00 C ATOM 838 C GLU A 51 -11.504 27.005 -15.567 1.00 0.00 C ATOM 839 O GLU A 51 -10.277 27.096 -15.614 1.00 0.00 O ATOM 840 CB GLU A 51 -13.326 28.652 -15.127 1.00 0.00 C ATOM 841 CG GLU A 51 -12.600 29.781 -15.861 1.00 0.00 C ATOM 842 CD GLU A 51 -12.575 31.034 -14.992 1.00 0.00 C ATOM 843 OE1 GLU A 51 -12.879 30.922 -13.816 1.00 0.00 O ATOM 844 OE2 GLU A 51 -12.252 32.088 -15.516 1.00 0.00 O ATOM 0 H GLU A 51 -10.874 29.210 -14.085 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.816 26.975 -13.874 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.951 28.094 -15.824 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.988 29.065 -14.366 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.582 29.474 -16.101 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.101 29.993 -16.806 1.00 0.00 H new ATOM 851 N HIS A 52 -12.212 26.293 -16.438 1.00 0.00 N ATOM 852 CA HIS A 52 -11.562 25.564 -17.521 1.00 0.00 C ATOM 853 C HIS A 52 -10.153 25.149 -17.117 1.00 0.00 C ATOM 854 O HIS A 52 -9.185 25.423 -17.827 1.00 0.00 O ATOM 855 CB HIS A 52 -11.502 26.437 -18.776 1.00 0.00 C ATOM 856 CG HIS A 52 -11.183 25.578 -19.969 1.00 0.00 C ATOM 857 ND1 HIS A 52 -9.900 25.468 -20.480 1.00 0.00 N ATOM 858 CD2 HIS A 52 -11.972 24.782 -20.761 1.00 0.00 C ATOM 859 CE1 HIS A 52 -9.953 24.634 -21.534 1.00 0.00 C ATOM 860 NE2 HIS A 52 -11.193 24.187 -21.750 1.00 0.00 N ATOM 0 H HIS A 52 -13.228 26.205 -16.416 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.145 24.667 -17.732 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -12.455 26.945 -18.925 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.743 27.211 -18.658 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.067 25.935 -20.122 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -13.035 24.639 -20.636 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.097 24.359 -22.133 1.00 0.00 H new ATOM 869 N HIS A 53 -10.043 24.486 -15.970 1.00 0.00 N ATOM 870 CA HIS A 53 -8.747 24.035 -15.479 1.00 0.00 C ATOM 871 C HIS A 53 -8.889 22.709 -14.741 1.00 0.00 C ATOM 872 O HIS A 53 -8.842 22.664 -13.510 1.00 0.00 O ATOM 873 CB HIS A 53 -8.153 25.085 -14.537 1.00 0.00 C ATOM 874 CG HIS A 53 -6.997 24.485 -13.785 1.00 0.00 C ATOM 875 ND1 HIS A 53 -6.886 24.571 -12.406 1.00 0.00 N ATOM 876 CD2 HIS A 53 -5.891 23.788 -14.206 1.00 0.00 C ATOM 877 CE1 HIS A 53 -5.752 23.942 -12.049 1.00 0.00 C ATOM 878 NE2 HIS A 53 -5.107 23.446 -13.108 1.00 0.00 N ATOM 0 H HIS A 53 -10.831 24.251 -15.367 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.083 23.895 -16.332 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.820 25.953 -15.106 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.913 25.435 -13.839 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.664 23.543 -15.233 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.405 23.849 -11.030 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.228 22.928 -13.111 1.00 0.00 H new ATOM 887 N HIS A 54 -9.066 21.632 -15.498 1.00 0.00 N ATOM 888 CA HIS A 54 -9.218 20.308 -14.903 1.00 0.00 C ATOM 889 C HIS A 54 -7.900 19.834 -14.300 1.00 0.00 C ATOM 890 O HIS A 54 -7.029 20.640 -13.973 1.00 0.00 O ATOM 891 CB HIS A 54 -9.685 19.309 -15.963 1.00 0.00 C ATOM 892 CG HIS A 54 -10.253 18.093 -15.285 1.00 0.00 C ATOM 893 ND1 HIS A 54 -10.486 18.049 -13.920 1.00 0.00 N ATOM 894 CD2 HIS A 54 -10.642 16.869 -15.771 1.00 0.00 C ATOM 895 CE1 HIS A 54 -10.992 16.836 -13.633 1.00 0.00 C ATOM 896 NE2 HIS A 54 -11.108 16.077 -14.725 1.00 0.00 N ATOM 0 H HIS A 54 -9.108 21.648 -16.517 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.963 20.372 -14.110 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -10.438 19.767 -16.604 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.851 19.025 -16.604 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.594 16.567 -16.807 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.270 16.515 -12.640 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.462 15.122 -14.781 1.00 0.00 H new ATOM 905 N HIS A 55 -7.762 18.519 -14.153 1.00 0.00 N ATOM 906 CA HIS A 55 -6.547 17.946 -13.586 1.00 0.00 C ATOM 907 C HIS A 55 -5.417 17.958 -14.609 1.00 0.00 C ATOM 908 O HIS A 55 -4.359 18.543 -14.375 1.00 0.00 O ATOM 909 CB HIS A 55 -6.812 16.509 -13.132 1.00 0.00 C ATOM 910 CG HIS A 55 -5.785 16.108 -12.109 1.00 0.00 C ATOM 911 ND1 HIS A 55 -4.837 15.128 -12.357 1.00 0.00 N ATOM 912 CD2 HIS A 55 -5.546 16.546 -10.830 1.00 0.00 C ATOM 913 CE1 HIS A 55 -4.078 15.009 -11.252 1.00 0.00 C ATOM 914 NE2 HIS A 55 -4.468 15.850 -10.291 1.00 0.00 N ATOM 0 H HIS A 55 -8.471 17.835 -14.417 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.249 18.550 -12.729 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.813 16.429 -12.708 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.773 15.833 -13.986 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.109 17.314 -10.320 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -3.254 14.318 -11.154 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -4.063 15.959 -9.361 1.00 0.00 H new ATOM 923 N HIS A 56 -5.647 17.307 -15.745 1.00 0.00 N ATOM 924 CA HIS A 56 -4.639 17.248 -16.798 1.00 0.00 C ATOM 925 C HIS A 56 -4.012 18.620 -17.020 1.00 0.00 C ATOM 926 O HIS A 56 -4.531 19.634 -16.553 1.00 0.00 O ATOM 927 CB HIS A 56 -5.274 16.758 -18.101 1.00 0.00 C ATOM 928 CG HIS A 56 -6.370 15.776 -17.786 1.00 0.00 C ATOM 929 ND1 HIS A 56 -6.149 14.643 -17.020 1.00 0.00 N ATOM 930 CD2 HIS A 56 -7.699 15.744 -18.126 1.00 0.00 C ATOM 931 CE1 HIS A 56 -7.318 13.983 -16.925 1.00 0.00 C ATOM 932 NE2 HIS A 56 -8.295 14.611 -17.582 1.00 0.00 N ATOM 0 H HIS A 56 -6.515 16.816 -15.959 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.859 16.552 -16.489 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.677 17.602 -18.662 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.520 16.287 -18.731 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.206 16.486 -18.725 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.449 13.058 -16.383 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.270 14.322 -17.667 1.00 0.00 H new ATOM 941 N HIS A 57 -2.894 18.644 -17.737 1.00 0.00 N ATOM 942 CA HIS A 57 -2.202 19.898 -18.015 1.00 0.00 C ATOM 943 C HIS A 57 -3.086 20.823 -18.846 1.00 0.00 C ATOM 944 O HIS A 57 -4.137 21.270 -18.389 1.00 0.00 O ATOM 945 CB HIS A 57 -0.900 19.620 -18.768 1.00 0.00 C ATOM 946 CG HIS A 57 -0.436 20.877 -19.450 1.00 0.00 C ATOM 947 ND1 HIS A 57 -0.699 22.203 -19.210 1.00 0.00 N flip ATOM 948 CD2 HIS A 57 0.422 20.854 -20.538 1.00 0.00 C flip ATOM 949 CE1 HIS A 57 -0.018 22.991 -20.133 1.00 0.00 C flip ATOM 950 NE2 HIS A 57 0.642 22.128 -20.909 1.00 0.00 N flip ATOM 0 H HIS A 57 -2.450 17.816 -18.134 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.975 20.385 -17.067 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.136 19.266 -18.076 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.054 18.830 -19.503 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.838 19.973 -21.004 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.022 24.069 -20.206 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.240 22.402 -21.688 1.00 0.00 H new TER 959 HIS A 57