USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 616 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 161:sc= -0.129 (180deg=-0.684) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.19 (180deg=0.707) USER MOD Single : A 3 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.9!) USER MOD Single : A 5 ASN :FLIP amide:sc= -1.61 F(o=-2.9,f=-1.6) USER MOD Single : A 6 MET CE :methyl -160:sc= -0.093 (180deg=-0.572) USER MOD Single : A 10 TYR OH : rot 165:sc= -0.761 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 160:sc= -13.9! (180deg=-14.8!) USER MOD Single : A 17 MET CE :methyl 158:sc= -0.154 (180deg=-0.71) USER MOD Single : A 34 LYS NZ :NH3+ -110:sc= -1.12 (180deg=-3.49!) USER MOD Single : A 42 GLN : amide:sc= -2.73! C(o=-2.7!,f=-6.9!) USER MOD Single : A 51 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 52 GLN :FLIP amide:sc= -3.08! C(o=-6.5!,f=-3.1!) USER MOD Single : A 57 MET CE :methyl 173:sc= 0 (180deg=-0.112) USER MOD Single : A 65 MET CE :methyl -164:sc= -0.0815 (180deg=-0.429) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.142 -29.173 1.572 1.00 0.00 N ATOM 2 CA MET A 1 -6.537 -27.734 1.728 1.00 0.00 C ATOM 3 C MET A 1 -5.471 -26.759 1.209 1.00 0.00 C ATOM 4 O MET A 1 -5.661 -25.544 1.266 1.00 0.00 O ATOM 5 CB MET A 1 -6.823 -27.446 3.209 1.00 0.00 C ATOM 6 CG MET A 1 -8.160 -27.985 3.708 1.00 0.00 C ATOM 7 SD MET A 1 -8.228 -29.787 3.791 1.00 0.00 S ATOM 8 CE MET A 1 -6.969 -30.123 5.022 1.00 0.00 C ATOM 0 H1 MET A 1 -6.795 -29.773 2.115 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.183 -29.437 0.567 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.173 -29.307 1.926 1.00 0.00 H new ATOM 0 HA MET A 1 -7.430 -27.576 1.123 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.023 -27.877 3.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.797 -26.368 3.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.360 -27.576 4.699 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.954 -27.630 3.050 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.115 -31.124 5.428 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.983 -30.059 4.561 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.042 -29.391 5.826 1.00 0.00 H new ATOM 20 N GLU A 2 -4.360 -27.283 0.704 1.00 0.00 N ATOM 21 CA GLU A 2 -3.288 -26.446 0.184 1.00 0.00 C ATOM 22 C GLU A 2 -3.744 -25.693 -1.061 1.00 0.00 C ATOM 23 O GLU A 2 -3.507 -24.493 -1.191 1.00 0.00 O ATOM 24 CB GLU A 2 -2.062 -27.300 -0.138 1.00 0.00 C ATOM 25 CG GLU A 2 -1.526 -28.066 1.061 1.00 0.00 C ATOM 26 CD GLU A 2 -0.319 -28.918 0.719 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.699 -28.351 0.270 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.392 -30.151 0.900 1.00 0.00 O ATOM 0 H GLU A 2 -4.179 -28.285 0.644 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.022 -25.716 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.319 -28.008 -0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.274 -26.657 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.257 -27.360 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.314 -28.704 1.462 1.00 0.00 H new ATOM 35 N ASN A 3 -4.399 -26.403 -1.973 1.00 0.00 N ATOM 36 CA ASN A 3 -4.883 -25.793 -3.204 1.00 0.00 C ATOM 37 C ASN A 3 -5.913 -24.710 -2.904 1.00 0.00 C ATOM 38 O ASN A 3 -5.858 -23.615 -3.462 1.00 0.00 O ATOM 39 CB ASN A 3 -5.485 -26.854 -4.131 1.00 0.00 C ATOM 40 CG ASN A 3 -5.973 -26.267 -5.442 1.00 0.00 C ATOM 41 OD1 ASN A 3 -6.893 -25.449 -5.465 1.00 0.00 O ATOM 42 ND2 ASN A 3 -5.355 -26.681 -6.543 1.00 0.00 N ATOM 0 H ASN A 3 -4.606 -27.398 -1.883 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.034 -25.331 -3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.737 -27.620 -4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.316 -27.346 -3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.638 -26.319 -7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.597 -27.360 -6.478 1.00 0.00 H new ATOM 49 N LEU A 4 -6.850 -25.026 -2.019 1.00 0.00 N ATOM 50 CA LEU A 4 -7.893 -24.079 -1.640 1.00 0.00 C ATOM 51 C LEU A 4 -7.297 -22.896 -0.900 1.00 0.00 C ATOM 52 O LEU A 4 -7.632 -21.755 -1.193 1.00 0.00 O ATOM 53 CB LEU A 4 -8.960 -24.762 -0.782 1.00 0.00 C ATOM 54 CG LEU A 4 -9.720 -25.897 -1.472 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.719 -26.526 -0.513 1.00 0.00 C ATOM 56 CD2 LEU A 4 -10.427 -25.389 -2.722 1.00 0.00 C ATOM 0 H LEU A 4 -6.910 -25.930 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.367 -23.714 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.484 -25.157 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.679 -24.010 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.001 -26.659 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.251 -27.331 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.190 -26.927 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.432 -25.771 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.961 -26.212 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.135 -24.607 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.691 -24.984 -3.417 1.00 0.00 H new ATOM 68 N ASN A 5 -6.395 -23.157 0.039 1.00 0.00 N ATOM 69 CA ASN A 5 -5.756 -22.073 0.772 1.00 0.00 C ATOM 70 C ASN A 5 -4.952 -21.226 -0.198 1.00 0.00 C ATOM 71 O ASN A 5 -4.894 -20.003 -0.080 1.00 0.00 O ATOM 72 CB ASN A 5 -4.848 -22.610 1.884 1.00 0.00 C ATOM 73 CG ASN A 5 -5.592 -23.411 2.946 1.00 0.00 C ATOM 74 OD1 ASN A 5 -6.922 -23.465 2.864 1.00 0.00 O flip ATOM 75 ND2 ASN A 5 -4.969 -23.975 3.848 1.00 0.00 N flip ATOM 0 H ASN A 5 -6.094 -24.094 0.307 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.529 -21.466 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.077 -23.240 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.339 -21.773 2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.951 -23.913 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.471 -24.503 4.561 1.00 0.00 H new ATOM 82 N MET A 6 -4.355 -21.895 -1.176 1.00 0.00 N ATOM 83 CA MET A 6 -3.570 -21.225 -2.201 1.00 0.00 C ATOM 84 C MET A 6 -4.472 -20.312 -3.029 1.00 0.00 C ATOM 85 O MET A 6 -4.391 -19.077 -2.941 1.00 0.00 O ATOM 86 CB MET A 6 -2.891 -22.272 -3.095 1.00 0.00 C ATOM 87 CG MET A 6 -2.034 -21.679 -4.200 1.00 0.00 C ATOM 88 SD MET A 6 -1.245 -22.938 -5.221 1.00 0.00 S ATOM 89 CE MET A 6 -0.156 -23.708 -4.026 1.00 0.00 C ATOM 0 H MET A 6 -4.401 -22.909 -1.280 1.00 0.00 H new ATOM 0 HA MET A 6 -2.799 -20.614 -1.731 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.269 -22.917 -2.474 1.00 0.00 H new ATOM 0 HB3 MET A 6 -3.658 -22.904 -3.543 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.653 -21.041 -4.831 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.267 -21.043 -3.758 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.637 -24.244 -4.548 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.283 -22.942 -3.387 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.724 -24.408 -3.414 1.00 0.00 H new ATOM 99 N ASP A 7 -5.347 -20.929 -3.825 1.00 0.00 N ATOM 100 CA ASP A 7 -6.278 -20.185 -4.661 1.00 0.00 C ATOM 101 C ASP A 7 -7.061 -19.180 -3.825 1.00 0.00 C ATOM 102 O ASP A 7 -7.274 -18.043 -4.246 1.00 0.00 O ATOM 103 CB ASP A 7 -7.220 -21.139 -5.396 1.00 0.00 C ATOM 104 CG ASP A 7 -8.006 -22.049 -4.470 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.725 -21.530 -3.591 1.00 0.00 O ATOM 106 OD2 ASP A 7 -7.920 -23.284 -4.641 1.00 0.00 O ATOM 0 H ASP A 7 -5.427 -21.943 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.708 -19.632 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.918 -20.556 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.639 -21.751 -6.086 1.00 0.00 H new ATOM 111 N LEU A 8 -7.469 -19.594 -2.627 1.00 0.00 N ATOM 112 CA LEU A 8 -8.209 -18.708 -1.739 1.00 0.00 C ATOM 113 C LEU A 8 -7.335 -17.539 -1.289 1.00 0.00 C ATOM 114 O LEU A 8 -7.837 -16.441 -1.049 1.00 0.00 O ATOM 115 CB LEU A 8 -8.729 -19.466 -0.523 1.00 0.00 C ATOM 116 CG LEU A 8 -9.550 -18.627 0.459 1.00 0.00 C ATOM 117 CD1 LEU A 8 -10.769 -18.030 -0.232 1.00 0.00 C ATOM 118 CD2 LEU A 8 -9.968 -19.467 1.658 1.00 0.00 C ATOM 0 H LEU A 8 -7.301 -20.528 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.061 -18.316 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.342 -20.299 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.880 -19.894 0.010 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.926 -17.807 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.339 -17.437 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.445 -17.393 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.397 -18.832 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.551 -18.855 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.573 -20.308 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.080 -19.840 2.168 1.00 0.00 H new ATOM 130 N LEU A 9 -6.025 -17.775 -1.180 1.00 0.00 N ATOM 131 CA LEU A 9 -5.104 -16.722 -0.758 1.00 0.00 C ATOM 132 C LEU A 9 -4.999 -15.647 -1.835 1.00 0.00 C ATOM 133 O LEU A 9 -5.209 -14.468 -1.551 1.00 0.00 O ATOM 134 CB LEU A 9 -3.715 -17.287 -0.417 1.00 0.00 C ATOM 135 CG LEU A 9 -2.743 -16.305 0.254 1.00 0.00 C ATOM 136 CD1 LEU A 9 -2.396 -15.155 -0.679 1.00 0.00 C ATOM 137 CD2 LEU A 9 -3.322 -15.776 1.559 1.00 0.00 C ATOM 0 H LEU A 9 -5.585 -18.674 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.505 -16.272 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.844 -18.147 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.256 -17.653 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.825 -16.848 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.707 -14.475 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.927 -15.547 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.305 -14.617 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.616 -15.083 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.260 -15.258 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.505 -16.608 2.239 1.00 0.00 H new ATOM 149 N TYR A 10 -4.700 -16.042 -3.080 1.00 0.00 N ATOM 150 CA TYR A 10 -4.606 -15.046 -4.158 1.00 0.00 C ATOM 151 C TYR A 10 -5.940 -14.334 -4.291 1.00 0.00 C ATOM 152 O TYR A 10 -6.004 -13.114 -4.440 1.00 0.00 O ATOM 153 CB TYR A 10 -4.242 -15.664 -5.514 1.00 0.00 C ATOM 154 CG TYR A 10 -2.949 -16.444 -5.514 1.00 0.00 C ATOM 155 CD1 TYR A 10 -2.900 -17.690 -4.931 1.00 0.00 C ATOM 156 CD2 TYR A 10 -1.784 -15.939 -6.084 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.740 -18.425 -4.909 1.00 0.00 C ATOM 158 CE2 TYR A 10 -0.612 -16.670 -6.068 1.00 0.00 C ATOM 159 CZ TYR A 10 -0.595 -17.914 -5.477 1.00 0.00 C ATOM 160 OH TYR A 10 0.571 -18.650 -5.454 1.00 0.00 O ATOM 0 H TYR A 10 -4.525 -17.007 -3.361 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.808 -14.355 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.051 -16.324 -5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.173 -14.868 -6.256 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.793 -18.098 -4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.796 -14.962 -6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.726 -19.401 -4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.285 -16.269 -6.516 1.00 0.00 H new ATOM 0 HH TYR A 10 1.211 -18.270 -6.092 1.00 0.00 H new ATOM 170 N MET A 11 -7.008 -15.118 -4.219 1.00 0.00 N ATOM 171 CA MET A 11 -8.355 -14.589 -4.312 1.00 0.00 C ATOM 172 C MET A 11 -8.610 -13.658 -3.141 1.00 0.00 C ATOM 173 O MET A 11 -9.246 -12.611 -3.279 1.00 0.00 O ATOM 174 CB MET A 11 -9.359 -15.740 -4.305 1.00 0.00 C ATOM 175 CG MET A 11 -10.776 -15.325 -4.678 1.00 0.00 C ATOM 176 SD MET A 11 -11.929 -16.713 -4.655 1.00 0.00 S ATOM 177 CE MET A 11 -13.474 -15.889 -5.038 1.00 0.00 C ATOM 0 H MET A 11 -6.962 -16.129 -4.096 1.00 0.00 H new ATOM 0 HA MET A 11 -8.469 -14.031 -5.241 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.021 -16.508 -5.000 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.372 -16.192 -3.313 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.121 -14.558 -3.985 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.771 -14.877 -5.672 1.00 0.00 H new ATOM 0 HE1 MET A 11 -14.281 -16.621 -5.059 1.00 0.00 H new ATOM 0 HE2 MET A 11 -13.685 -15.138 -4.276 1.00 0.00 H new ATOM 0 HE3 MET A 11 -13.397 -15.406 -6.012 1.00 0.00 H new ATOM 187 N ALA A 12 -8.076 -14.041 -1.986 1.00 0.00 N ATOM 188 CA ALA A 12 -8.207 -13.240 -0.784 1.00 0.00 C ATOM 189 C ALA A 12 -7.540 -11.897 -0.997 1.00 0.00 C ATOM 190 O ALA A 12 -8.032 -10.876 -0.549 1.00 0.00 O ATOM 191 CB ALA A 12 -7.590 -13.961 0.407 1.00 0.00 C ATOM 0 H ALA A 12 -7.548 -14.905 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.265 -13.083 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.697 -13.346 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.098 -14.913 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.532 -14.141 0.215 1.00 0.00 H new ATOM 197 N ALA A 13 -6.422 -11.904 -1.709 1.00 0.00 N ATOM 198 CA ALA A 13 -5.706 -10.673 -2.000 1.00 0.00 C ATOM 199 C ALA A 13 -6.599 -9.721 -2.786 1.00 0.00 C ATOM 200 O ALA A 13 -6.696 -8.542 -2.470 1.00 0.00 O ATOM 201 CB ALA A 13 -4.432 -10.976 -2.778 1.00 0.00 C ATOM 0 H ALA A 13 -5.993 -12.746 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.430 -10.194 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.905 -10.046 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.791 -11.630 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.687 -11.470 -3.716 1.00 0.00 H new ATOM 207 N ALA A 14 -7.266 -10.246 -3.804 1.00 0.00 N ATOM 208 CA ALA A 14 -8.160 -9.436 -4.620 1.00 0.00 C ATOM 209 C ALA A 14 -9.285 -8.851 -3.773 1.00 0.00 C ATOM 210 O ALA A 14 -9.544 -7.649 -3.811 1.00 0.00 O ATOM 211 CB ALA A 14 -8.731 -10.264 -5.760 1.00 0.00 C ATOM 0 H ALA A 14 -7.206 -11.225 -4.084 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.585 -8.611 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.397 -9.645 -6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.917 -10.634 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.288 -11.108 -5.353 1.00 0.00 H new ATOM 217 N VAL A 15 -9.948 -9.711 -3.006 1.00 0.00 N ATOM 218 CA VAL A 15 -11.049 -9.287 -2.147 1.00 0.00 C ATOM 219 C VAL A 15 -10.565 -8.343 -1.050 1.00 0.00 C ATOM 220 O VAL A 15 -11.117 -7.267 -0.861 1.00 0.00 O ATOM 221 CB VAL A 15 -11.741 -10.498 -1.498 1.00 0.00 C ATOM 222 CG1 VAL A 15 -12.968 -10.061 -0.708 1.00 0.00 C ATOM 223 CG2 VAL A 15 -12.109 -11.525 -2.557 1.00 0.00 C ATOM 0 H VAL A 15 -9.741 -10.709 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.762 -8.760 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.045 -10.962 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.441 -10.934 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.667 -9.367 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.675 -9.569 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.598 -12.377 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.787 -11.074 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.206 -11.862 -3.066 1.00 0.00 H new ATOM 233 N MET A 16 -9.532 -8.761 -0.329 1.00 0.00 N ATOM 234 CA MET A 16 -8.967 -7.964 0.758 1.00 0.00 C ATOM 235 C MET A 16 -8.413 -6.644 0.236 1.00 0.00 C ATOM 236 O MET A 16 -8.741 -5.576 0.747 1.00 0.00 O ATOM 237 CB MET A 16 -7.869 -8.764 1.473 1.00 0.00 C ATOM 238 CG MET A 16 -8.079 -8.922 2.965 1.00 0.00 C ATOM 239 SD MET A 16 -7.597 -7.472 3.925 1.00 0.00 S ATOM 240 CE MET A 16 -8.909 -6.327 3.518 1.00 0.00 C ATOM 0 H MET A 16 -9.064 -9.655 -0.478 1.00 0.00 H new ATOM 0 HA MET A 16 -9.760 -7.735 1.469 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.805 -9.754 1.021 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.910 -8.273 1.303 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.131 -9.138 3.154 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.509 -9.783 3.314 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.958 -5.545 4.276 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.711 -5.877 2.545 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.859 -6.860 3.484 1.00 0.00 H new ATOM 250 N MET A 17 -7.576 -6.725 -0.783 1.00 0.00 N ATOM 251 CA MET A 17 -6.981 -5.531 -1.375 1.00 0.00 C ATOM 252 C MET A 17 -8.065 -4.633 -1.965 1.00 0.00 C ATOM 253 O MET A 17 -8.030 -3.410 -1.809 1.00 0.00 O ATOM 254 CB MET A 17 -5.963 -5.906 -2.461 1.00 0.00 C ATOM 255 CG MET A 17 -4.768 -6.700 -1.944 1.00 0.00 C ATOM 256 SD MET A 17 -3.511 -6.968 -3.209 1.00 0.00 S ATOM 257 CE MET A 17 -2.962 -5.289 -3.503 1.00 0.00 C ATOM 0 H MET A 17 -7.291 -7.601 -1.220 1.00 0.00 H new ATOM 0 HA MET A 17 -6.460 -4.988 -0.586 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.467 -6.489 -3.232 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.602 -4.994 -2.936 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.323 -6.171 -1.101 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.112 -7.664 -1.569 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.963 -5.304 -3.939 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.650 -4.796 -4.189 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.938 -4.744 -2.560 1.00 0.00 H new ATOM 267 N GLY A 18 -9.036 -5.251 -2.633 1.00 0.00 N ATOM 268 CA GLY A 18 -10.124 -4.499 -3.236 1.00 0.00 C ATOM 269 C GLY A 18 -11.041 -3.876 -2.205 1.00 0.00 C ATOM 270 O GLY A 18 -11.287 -2.675 -2.234 1.00 0.00 O ATOM 0 H GLY A 18 -9.089 -6.261 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.711 -3.715 -3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.704 -5.159 -3.881 1.00 0.00 H new ATOM 274 N LEU A 19 -11.552 -4.697 -1.293 1.00 0.00 N ATOM 275 CA LEU A 19 -12.450 -4.221 -0.247 1.00 0.00 C ATOM 276 C LEU A 19 -11.763 -3.139 0.572 1.00 0.00 C ATOM 277 O LEU A 19 -12.340 -2.082 0.850 1.00 0.00 O ATOM 278 CB LEU A 19 -12.884 -5.387 0.653 1.00 0.00 C ATOM 279 CG LEU A 19 -11.801 -5.948 1.583 1.00 0.00 C ATOM 280 CD1 LEU A 19 -11.643 -5.071 2.820 1.00 0.00 C ATOM 281 CD2 LEU A 19 -12.125 -7.382 1.981 1.00 0.00 C ATOM 0 H LEU A 19 -11.359 -5.698 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.341 -3.796 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.725 -5.058 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.247 -6.196 0.019 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.855 -5.947 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.870 -5.488 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.359 -4.063 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.587 -5.034 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.345 -7.762 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.083 -7.408 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.179 -8.004 1.088 1.00 0.00 H new ATOM 293 N ALA A 20 -10.512 -3.401 0.934 1.00 0.00 N ATOM 294 CA ALA A 20 -9.730 -2.446 1.694 1.00 0.00 C ATOM 295 C ALA A 20 -9.468 -1.219 0.842 1.00 0.00 C ATOM 296 O ALA A 20 -9.393 -0.099 1.346 1.00 0.00 O ATOM 297 CB ALA A 20 -8.420 -3.073 2.154 1.00 0.00 C ATOM 0 H ALA A 20 -10.022 -4.268 0.711 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.289 -2.150 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.846 -2.341 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.632 -3.937 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.843 -3.390 1.285 1.00 0.00 H new ATOM 303 N ALA A 21 -9.350 -1.444 -0.466 1.00 0.00 N ATOM 304 CA ALA A 21 -9.115 -0.363 -1.409 1.00 0.00 C ATOM 305 C ALA A 21 -10.339 0.527 -1.513 1.00 0.00 C ATOM 306 O ALA A 21 -10.229 1.749 -1.550 1.00 0.00 O ATOM 307 CB ALA A 21 -8.733 -0.920 -2.773 1.00 0.00 C ATOM 0 H ALA A 21 -9.414 -2.368 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.285 0.242 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.561 -0.097 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.824 -1.514 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.541 -1.548 -3.149 1.00 0.00 H new ATOM 313 N ILE A 22 -11.507 -0.099 -1.534 1.00 0.00 N ATOM 314 CA ILE A 22 -12.764 0.633 -1.610 1.00 0.00 C ATOM 315 C ILE A 22 -12.921 1.515 -0.381 1.00 0.00 C ATOM 316 O ILE A 22 -13.045 2.733 -0.493 1.00 0.00 O ATOM 317 CB ILE A 22 -13.977 -0.314 -1.717 1.00 0.00 C ATOM 318 CG1 ILE A 22 -13.880 -1.164 -2.982 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.281 0.474 -1.711 1.00 0.00 C ATOM 320 CD1 ILE A 22 -14.941 -2.241 -3.067 1.00 0.00 C ATOM 0 H ILE A 22 -11.611 -1.113 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.734 1.245 -2.512 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.970 -0.974 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.961 -0.515 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.896 -1.630 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.123 -0.215 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.359 1.041 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.295 1.160 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.813 -2.806 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.847 -2.913 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.929 -1.780 -3.058 1.00 0.00 H new ATOM 332 N GLY A 23 -12.890 0.894 0.795 1.00 0.00 N ATOM 333 CA GLY A 23 -13.013 1.651 2.026 1.00 0.00 C ATOM 334 C GLY A 23 -11.888 2.654 2.174 1.00 0.00 C ATOM 335 O GLY A 23 -12.121 3.832 2.468 1.00 0.00 O ATOM 0 H GLY A 23 -12.783 -0.113 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.971 2.172 2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.008 0.969 2.876 1.00 0.00 H new ATOM 339 N ALA A 24 -10.661 2.187 1.950 1.00 0.00 N ATOM 340 CA ALA A 24 -9.493 3.049 2.041 1.00 0.00 C ATOM 341 C ALA A 24 -9.644 4.240 1.106 1.00 0.00 C ATOM 342 O ALA A 24 -9.340 5.371 1.478 1.00 0.00 O ATOM 343 CB ALA A 24 -8.225 2.271 1.715 1.00 0.00 C ATOM 0 H ALA A 24 -10.454 1.219 1.705 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.413 3.417 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.363 2.934 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.112 1.448 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.292 1.874 0.702 1.00 0.00 H new ATOM 349 N ALA A 25 -10.130 3.979 -0.107 1.00 0.00 N ATOM 350 CA ALA A 25 -10.338 5.038 -1.087 1.00 0.00 C ATOM 351 C ALA A 25 -11.349 6.046 -0.564 1.00 0.00 C ATOM 352 O ALA A 25 -11.050 7.228 -0.438 1.00 0.00 O ATOM 353 CB ALA A 25 -10.809 4.460 -2.415 1.00 0.00 C ATOM 0 H ALA A 25 -10.385 3.046 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.387 5.545 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.958 5.268 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.058 3.769 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.749 3.928 -2.267 1.00 0.00 H new ATOM 359 N ILE A 26 -12.546 5.567 -0.250 1.00 0.00 N ATOM 360 CA ILE A 26 -13.598 6.428 0.268 1.00 0.00 C ATOM 361 C ILE A 26 -13.064 7.383 1.335 1.00 0.00 C ATOM 362 O ILE A 26 -13.190 8.598 1.204 1.00 0.00 O ATOM 363 CB ILE A 26 -14.757 5.607 0.847 1.00 0.00 C ATOM 364 CG1 ILE A 26 -15.393 4.772 -0.258 1.00 0.00 C ATOM 365 CG2 ILE A 26 -15.796 6.511 1.494 1.00 0.00 C ATOM 366 CD1 ILE A 26 -15.814 5.578 -1.468 1.00 0.00 C ATOM 0 H ILE A 26 -12.811 4.587 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.968 7.015 -0.573 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.365 4.945 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -14.686 4.004 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.265 4.257 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.607 5.904 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.333 7.078 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.194 7.199 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.258 4.915 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.545 6.329 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.942 6.072 -1.897 1.00 0.00 H new ATOM 378 N GLY A 27 -12.462 6.830 2.386 1.00 0.00 N ATOM 379 CA GLY A 27 -11.925 7.666 3.448 1.00 0.00 C ATOM 380 C GLY A 27 -10.728 8.483 3.003 1.00 0.00 C ATOM 381 O GLY A 27 -10.582 9.639 3.398 1.00 0.00 O ATOM 0 H GLY A 27 -12.337 5.827 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.705 8.338 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.637 7.036 4.290 1.00 0.00 H new ATOM 385 N ILE A 28 -9.862 7.894 2.175 1.00 0.00 N ATOM 386 CA ILE A 28 -8.689 8.614 1.692 1.00 0.00 C ATOM 387 C ILE A 28 -9.150 9.888 1.018 1.00 0.00 C ATOM 388 O ILE A 28 -8.622 10.969 1.255 1.00 0.00 O ATOM 389 CB ILE A 28 -7.841 7.769 0.714 1.00 0.00 C ATOM 390 CG1 ILE A 28 -6.390 8.249 0.729 1.00 0.00 C ATOM 391 CG2 ILE A 28 -8.397 7.812 -0.701 1.00 0.00 C ATOM 392 CD1 ILE A 28 -6.223 9.689 0.299 1.00 0.00 C ATOM 0 H ILE A 28 -9.950 6.938 1.832 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.049 8.840 2.545 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.882 6.733 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.987 8.130 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.799 7.612 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.772 7.205 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.414 7.420 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.404 8.842 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.168 9.959 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.595 9.810 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.786 10.337 0.971 1.00 0.00 H new ATOM 404 N GLY A 29 -10.187 9.739 0.220 1.00 0.00 N ATOM 405 CA GLY A 29 -10.773 10.876 -0.449 1.00 0.00 C ATOM 406 C GLY A 29 -11.425 11.805 0.554 1.00 0.00 C ATOM 407 O GLY A 29 -11.380 13.023 0.411 1.00 0.00 O ATOM 0 H GLY A 29 -10.638 8.846 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.005 11.413 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.513 10.537 -1.174 1.00 0.00 H new ATOM 411 N ILE A 30 -12.025 11.217 1.588 1.00 0.00 N ATOM 412 CA ILE A 30 -12.676 11.993 2.636 1.00 0.00 C ATOM 413 C ILE A 30 -11.678 12.926 3.320 1.00 0.00 C ATOM 414 O ILE A 30 -11.756 14.143 3.165 1.00 0.00 O ATOM 415 CB ILE A 30 -13.338 11.071 3.688 1.00 0.00 C ATOM 416 CG1 ILE A 30 -14.454 10.262 3.035 1.00 0.00 C ATOM 417 CG2 ILE A 30 -13.881 11.875 4.861 1.00 0.00 C ATOM 418 CD1 ILE A 30 -15.583 11.108 2.486 1.00 0.00 C ATOM 0 H ILE A 30 -12.072 10.207 1.720 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.454 12.592 2.163 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.580 10.390 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.032 9.667 2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.859 9.563 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.340 11.200 5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -13.065 12.418 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.627 12.584 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.337 10.461 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -16.033 11.684 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -15.193 11.789 1.729 1.00 0.00 H new ATOM 430 N LEU A 31 -10.743 12.344 4.072 1.00 0.00 N ATOM 431 CA LEU A 31 -9.727 13.120 4.785 1.00 0.00 C ATOM 432 C LEU A 31 -8.675 13.644 3.818 1.00 0.00 C ATOM 433 O LEU A 31 -8.288 14.811 3.878 1.00 0.00 O ATOM 434 CB LEU A 31 -9.063 12.251 5.864 1.00 0.00 C ATOM 435 CG LEU A 31 -8.035 12.955 6.765 1.00 0.00 C ATOM 436 CD1 LEU A 31 -6.780 13.326 5.990 1.00 0.00 C ATOM 437 CD2 LEU A 31 -8.646 14.187 7.411 1.00 0.00 C ATOM 0 H LEU A 31 -10.668 11.335 4.203 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.213 13.971 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.846 11.834 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.570 11.412 5.373 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.747 12.256 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.074 13.822 6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.323 12.424 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.042 13.999 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.903 14.672 8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.970 14.881 6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.503 13.893 8.016 1.00 0.00 H new ATOM 449 N GLY A 32 -8.212 12.774 2.928 1.00 0.00 N ATOM 450 CA GLY A 32 -7.214 13.180 1.960 1.00 0.00 C ATOM 451 C GLY A 32 -7.751 14.261 1.055 1.00 0.00 C ATOM 452 O GLY A 32 -7.080 15.254 0.793 1.00 0.00 O ATOM 0 H GLY A 32 -8.509 11.800 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.325 13.541 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.908 12.320 1.364 1.00 0.00 H new ATOM 456 N GLY A 33 -8.983 14.076 0.595 1.00 0.00 N ATOM 457 CA GLY A 33 -9.602 15.061 -0.267 1.00 0.00 C ATOM 458 C GLY A 33 -9.730 16.405 0.415 1.00 0.00 C ATOM 459 O GLY A 33 -9.345 17.426 -0.144 1.00 0.00 O ATOM 0 H GLY A 33 -9.562 13.263 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.011 15.170 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.589 14.711 -0.568 1.00 0.00 H new ATOM 463 N LYS A 34 -10.261 16.403 1.637 1.00 0.00 N ATOM 464 CA LYS A 34 -10.423 17.639 2.392 1.00 0.00 C ATOM 465 C LYS A 34 -9.068 18.293 2.648 1.00 0.00 C ATOM 466 O LYS A 34 -8.852 19.466 2.316 1.00 0.00 O ATOM 467 CB LYS A 34 -11.153 17.377 3.718 1.00 0.00 C ATOM 468 CG LYS A 34 -10.469 16.377 4.633 1.00 0.00 C ATOM 469 CD LYS A 34 -11.303 16.077 5.876 1.00 0.00 C ATOM 470 CE LYS A 34 -11.381 17.269 6.821 1.00 0.00 C ATOM 471 NZ LYS A 34 -12.369 18.290 6.376 1.00 0.00 N ATOM 0 H LYS A 34 -10.583 15.565 2.120 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.030 18.323 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.260 18.322 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.159 17.019 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.286 15.452 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.497 16.767 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.310 15.789 5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.872 15.226 6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.649 16.920 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.397 17.731 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.867 19.143 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.935 17.907 5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.996 18.535 7.169 1.00 0.00 H new ATOM 485 N PHE A 35 -8.149 17.526 3.228 1.00 0.00 N ATOM 486 CA PHE A 35 -6.812 18.024 3.520 1.00 0.00 C ATOM 487 C PHE A 35 -6.160 18.516 2.237 1.00 0.00 C ATOM 488 O PHE A 35 -5.864 19.702 2.089 1.00 0.00 O ATOM 489 CB PHE A 35 -5.965 16.920 4.157 1.00 0.00 C ATOM 490 CG PHE A 35 -4.674 17.421 4.740 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.688 17.951 3.926 1.00 0.00 C ATOM 492 CD2 PHE A 35 -4.455 17.377 6.108 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.508 18.428 4.463 1.00 0.00 C ATOM 494 CE2 PHE A 35 -3.277 17.850 6.651 1.00 0.00 C ATOM 495 CZ PHE A 35 -2.303 18.378 5.827 1.00 0.00 C ATOM 0 H PHE A 35 -8.308 16.557 3.504 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.884 18.853 4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.545 16.434 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.746 16.161 3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.843 17.992 2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.215 16.968 6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.747 18.839 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.118 17.807 7.718 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.382 18.751 6.249 1.00 0.00 H new ATOM 505 N LEU A 36 -5.967 17.595 1.300 1.00 0.00 N ATOM 506 CA LEU A 36 -5.376 17.921 0.015 1.00 0.00 C ATOM 507 C LEU A 36 -6.123 19.071 -0.652 1.00 0.00 C ATOM 508 O LEU A 36 -5.517 19.899 -1.322 1.00 0.00 O ATOM 509 CB LEU A 36 -5.382 16.693 -0.896 1.00 0.00 C ATOM 510 CG LEU A 36 -4.273 15.669 -0.629 1.00 0.00 C ATOM 511 CD1 LEU A 36 -4.201 15.318 0.850 1.00 0.00 C ATOM 512 CD2 LEU A 36 -4.499 14.416 -1.464 1.00 0.00 C ATOM 0 H LEU A 36 -6.214 16.612 1.411 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.346 18.234 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.346 16.193 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.302 17.029 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.321 16.114 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.406 14.590 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.992 16.218 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.153 14.894 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.704 13.697 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.461 13.974 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.494 14.678 -2.522 1.00 0.00 H new ATOM 524 N GLU A 37 -7.440 19.131 -0.455 1.00 0.00 N ATOM 525 CA GLU A 37 -8.239 20.205 -1.042 1.00 0.00 C ATOM 526 C GLU A 37 -7.700 21.556 -0.596 1.00 0.00 C ATOM 527 O GLU A 37 -7.250 22.364 -1.415 1.00 0.00 O ATOM 528 CB GLU A 37 -9.716 20.071 -0.652 1.00 0.00 C ATOM 529 CG GLU A 37 -10.590 21.202 -1.169 1.00 0.00 C ATOM 530 CD GLU A 37 -10.616 21.270 -2.683 1.00 0.00 C ATOM 531 OE1 GLU A 37 -11.059 20.287 -3.314 1.00 0.00 O ATOM 532 OE2 GLU A 37 -10.191 22.305 -3.238 1.00 0.00 O ATOM 0 H GLU A 37 -7.970 18.458 0.099 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.168 20.130 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.099 19.124 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.794 20.031 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.606 21.071 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.225 22.149 -0.772 1.00 0.00 H new ATOM 539 N GLY A 38 -7.722 21.793 0.713 1.00 0.00 N ATOM 540 CA GLY A 38 -7.205 23.046 1.231 1.00 0.00 C ATOM 541 C GLY A 38 -5.786 23.287 0.764 1.00 0.00 C ATOM 542 O GLY A 38 -5.456 24.368 0.279 1.00 0.00 O ATOM 0 H GLY A 38 -8.084 21.148 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.842 23.868 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.235 23.032 2.321 1.00 0.00 H new ATOM 546 N ALA A 39 -4.953 22.258 0.888 1.00 0.00 N ATOM 547 CA ALA A 39 -3.567 22.346 0.456 1.00 0.00 C ATOM 548 C ALA A 39 -3.504 22.598 -1.042 1.00 0.00 C ATOM 549 O ALA A 39 -2.629 23.305 -1.530 1.00 0.00 O ATOM 550 CB ALA A 39 -2.815 21.072 0.816 1.00 0.00 C ATOM 0 H ALA A 39 -5.216 21.355 1.284 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.091 23.180 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.780 21.155 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.841 20.927 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.286 20.220 0.324 1.00 0.00 H new ATOM 556 N ALA A 40 -4.443 22.021 -1.773 1.00 0.00 N ATOM 557 CA ALA A 40 -4.490 22.203 -3.212 1.00 0.00 C ATOM 558 C ALA A 40 -4.922 23.623 -3.544 1.00 0.00 C ATOM 559 O ALA A 40 -4.622 24.141 -4.619 1.00 0.00 O ATOM 560 CB ALA A 40 -5.421 21.191 -3.853 1.00 0.00 C ATOM 0 H ALA A 40 -5.180 21.425 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.491 22.040 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.440 21.347 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.066 20.183 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.426 21.315 -3.450 1.00 0.00 H new ATOM 566 N ARG A 41 -5.609 24.260 -2.597 1.00 0.00 N ATOM 567 CA ARG A 41 -6.057 25.634 -2.779 1.00 0.00 C ATOM 568 C ARG A 41 -5.011 26.597 -2.219 1.00 0.00 C ATOM 569 O ARG A 41 -4.972 27.774 -2.583 1.00 0.00 O ATOM 570 CB ARG A 41 -7.417 25.840 -2.096 1.00 0.00 C ATOM 571 CG ARG A 41 -8.010 27.231 -2.276 1.00 0.00 C ATOM 572 CD ARG A 41 -7.463 28.222 -1.256 1.00 0.00 C ATOM 573 NE ARG A 41 -7.599 27.727 0.111 1.00 0.00 N ATOM 574 CZ ARG A 41 -8.766 27.474 0.696 1.00 0.00 C ATOM 575 NH1 ARG A 41 -9.905 27.742 0.070 1.00 0.00 N ATOM 576 NH2 ARG A 41 -8.796 26.969 1.920 1.00 0.00 N ATOM 0 H ARG A 41 -5.865 23.846 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.178 25.837 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.121 25.105 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.308 25.641 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.793 27.590 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.095 27.177 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.412 28.418 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.990 29.171 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.748 27.566 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.889 28.145 -0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.796 27.545 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.924 26.775 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.691 26.775 2.370 1.00 0.00 H new ATOM 590 N GLN A 42 -4.146 26.072 -1.352 1.00 0.00 N ATOM 591 CA GLN A 42 -3.080 26.832 -0.751 1.00 0.00 C ATOM 592 C GLN A 42 -2.122 27.363 -1.821 1.00 0.00 C ATOM 593 O GLN A 42 -2.351 27.187 -3.018 1.00 0.00 O ATOM 594 CB GLN A 42 -2.351 25.932 0.258 1.00 0.00 C ATOM 595 CG GLN A 42 -3.096 25.774 1.574 1.00 0.00 C ATOM 596 CD GLN A 42 -2.254 25.115 2.649 1.00 0.00 C ATOM 597 OE1 GLN A 42 -1.709 24.032 2.449 1.00 0.00 O ATOM 598 NE2 GLN A 42 -2.150 25.765 3.802 1.00 0.00 N ATOM 0 H GLN A 42 -4.176 25.097 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.488 27.699 -0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.201 24.948 -0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.363 26.347 0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.420 26.754 1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.995 25.181 1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.619 26.662 3.926 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.601 25.367 4.564 1.00 0.00 H new ATOM 607 N PRO A 43 -1.048 28.037 -1.395 1.00 0.00 N ATOM 608 CA PRO A 43 -0.055 28.618 -2.302 1.00 0.00 C ATOM 609 C PRO A 43 0.431 27.644 -3.372 1.00 0.00 C ATOM 610 O PRO A 43 0.106 27.803 -4.548 1.00 0.00 O ATOM 611 CB PRO A 43 1.086 29.022 -1.365 1.00 0.00 C ATOM 612 CG PRO A 43 0.419 29.270 -0.054 1.00 0.00 C ATOM 613 CD PRO A 43 -0.727 28.297 0.013 1.00 0.00 C ATOM 0 HA PRO A 43 -0.471 29.448 -2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.834 28.233 -1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.599 29.914 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.112 29.115 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.064 30.298 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.445 27.382 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.579 28.718 0.546 1.00 0.00 H new ATOM 621 N ASP A 44 1.223 26.651 -2.978 1.00 0.00 N ATOM 622 CA ASP A 44 1.744 25.691 -3.945 1.00 0.00 C ATOM 623 C ASP A 44 1.880 24.292 -3.343 1.00 0.00 C ATOM 624 O ASP A 44 2.900 23.630 -3.520 1.00 0.00 O ATOM 625 CB ASP A 44 3.101 26.175 -4.471 1.00 0.00 C ATOM 626 CG ASP A 44 3.520 25.462 -5.743 1.00 0.00 C ATOM 627 OD1 ASP A 44 3.679 24.226 -5.711 1.00 0.00 O ATOM 628 OD2 ASP A 44 3.684 26.145 -6.778 1.00 0.00 O ATOM 0 H ASP A 44 1.514 26.491 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 44 1.033 25.623 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.052 27.248 -4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.860 26.020 -3.705 1.00 0.00 H new ATOM 633 N LEU A 45 0.840 23.834 -2.650 1.00 0.00 N ATOM 634 CA LEU A 45 0.858 22.499 -2.054 1.00 0.00 C ATOM 635 C LEU A 45 0.432 21.433 -3.072 1.00 0.00 C ATOM 636 O LEU A 45 0.164 20.285 -2.713 1.00 0.00 O ATOM 637 CB LEU A 45 -0.045 22.451 -0.823 1.00 0.00 C ATOM 638 CG LEU A 45 0.474 23.211 0.395 1.00 0.00 C ATOM 639 CD1 LEU A 45 1.820 22.663 0.832 1.00 0.00 C ATOM 640 CD2 LEU A 45 0.568 24.698 0.093 1.00 0.00 C ATOM 0 H LEU A 45 -0.018 24.361 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 45 1.881 22.282 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.022 22.853 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.196 21.408 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.231 23.073 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.174 23.217 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.717 21.609 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.537 22.768 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.940 25.225 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.251 24.857 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.419 25.079 -0.168 1.00 0.00 H new ATOM 652 N ILE A 46 0.386 21.810 -4.347 1.00 0.00 N ATOM 653 CA ILE A 46 0.013 20.877 -5.399 1.00 0.00 C ATOM 654 C ILE A 46 0.862 19.613 -5.322 1.00 0.00 C ATOM 655 O ILE A 46 0.339 18.510 -5.420 1.00 0.00 O ATOM 656 CB ILE A 46 0.166 21.494 -6.796 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.500 22.871 -6.851 1.00 0.00 C ATOM 658 CG2 ILE A 46 -0.434 20.576 -7.850 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.980 22.832 -6.540 1.00 0.00 C ATOM 0 H ILE A 46 0.602 22.752 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.037 20.631 -5.242 1.00 0.00 H new ATOM 0 HB ILE A 46 1.229 21.615 -7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.004 23.535 -6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.355 23.298 -7.844 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.317 21.028 -8.835 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.078 19.614 -7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.494 20.427 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.390 23.840 -6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.487 22.193 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.131 22.435 -5.536 1.00 0.00 H new ATOM 671 N PRO A 47 2.192 19.734 -5.147 1.00 0.00 N ATOM 672 CA PRO A 47 3.044 18.556 -5.054 1.00 0.00 C ATOM 673 C PRO A 47 2.764 17.790 -3.770 1.00 0.00 C ATOM 674 O PRO A 47 2.996 16.581 -3.682 1.00 0.00 O ATOM 675 CB PRO A 47 4.467 19.117 -5.065 1.00 0.00 C ATOM 676 CG PRO A 47 4.334 20.532 -4.612 1.00 0.00 C ATOM 677 CD PRO A 47 2.961 20.990 -5.027 1.00 0.00 C ATOM 0 HA PRO A 47 2.874 17.850 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.119 18.550 -4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.904 19.062 -6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.457 20.606 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.104 21.157 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.522 21.659 -4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.989 21.534 -5.971 1.00 0.00 H new ATOM 685 N LEU A 48 2.225 18.497 -2.780 1.00 0.00 N ATOM 686 CA LEU A 48 1.864 17.875 -1.521 1.00 0.00 C ATOM 687 C LEU A 48 0.705 16.937 -1.790 1.00 0.00 C ATOM 688 O LEU A 48 0.632 15.834 -1.254 1.00 0.00 O ATOM 689 CB LEU A 48 1.459 18.940 -0.497 1.00 0.00 C ATOM 690 CG LEU A 48 1.161 18.418 0.907 1.00 0.00 C ATOM 691 CD1 LEU A 48 2.430 17.932 1.587 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.476 19.494 1.737 1.00 0.00 C ATOM 0 H LEU A 48 2.031 19.497 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 48 2.712 17.326 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.258 19.678 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.576 19.460 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 48 0.484 17.568 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.190 17.565 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.871 17.126 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.140 18.755 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.270 19.107 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.127 20.365 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.460 19.781 1.259 1.00 0.00 H new ATOM 704 N LEU A 49 -0.190 17.392 -2.662 1.00 0.00 N ATOM 705 CA LEU A 49 -1.350 16.613 -3.066 1.00 0.00 C ATOM 706 C LEU A 49 -0.959 15.165 -3.341 1.00 0.00 C ATOM 707 O LEU A 49 -1.428 14.235 -2.677 1.00 0.00 O ATOM 708 CB LEU A 49 -1.965 17.225 -4.328 1.00 0.00 C ATOM 709 CG LEU A 49 -2.621 18.593 -4.139 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.177 19.105 -5.459 1.00 0.00 C ATOM 711 CD2 LEU A 49 -3.718 18.514 -3.092 1.00 0.00 C ATOM 0 H LEU A 49 -0.130 18.308 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.078 16.629 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.186 17.316 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.711 16.534 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.863 19.295 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.640 20.080 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.368 19.198 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.922 18.405 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.175 19.496 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.476 17.799 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.292 18.191 -2.142 1.00 0.00 H new ATOM 723 N ARG A 50 -0.080 14.991 -4.320 1.00 0.00 N ATOM 724 CA ARG A 50 0.393 13.681 -4.697 1.00 0.00 C ATOM 725 C ARG A 50 1.143 13.043 -3.541 1.00 0.00 C ATOM 726 O ARG A 50 0.876 11.904 -3.169 1.00 0.00 O ATOM 727 CB ARG A 50 1.290 13.793 -5.933 1.00 0.00 C ATOM 728 CG ARG A 50 2.522 14.660 -5.732 1.00 0.00 C ATOM 729 CD ARG A 50 3.349 14.759 -7.002 1.00 0.00 C ATOM 730 NE ARG A 50 4.566 15.546 -6.806 1.00 0.00 N ATOM 731 CZ ARG A 50 5.477 15.745 -7.755 1.00 0.00 C ATOM 732 NH1 ARG A 50 5.310 15.218 -8.962 1.00 0.00 N ATOM 733 NH2 ARG A 50 6.559 16.469 -7.500 1.00 0.00 N ATOM 0 H ARG A 50 0.318 15.754 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.459 13.046 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.607 12.793 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.704 14.199 -6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.218 15.658 -5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.133 14.245 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.616 13.757 -7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.748 15.212 -7.791 1.00 0.00 H new ATOM 0 HE ARG A 50 4.725 15.966 -5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.481 14.659 -9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.010 15.373 -9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.694 16.875 -6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.256 16.620 -8.230 1.00 0.00 H new ATOM 747 N THR A 51 2.079 13.789 -2.959 1.00 0.00 N ATOM 748 CA THR A 51 2.857 13.285 -1.835 1.00 0.00 C ATOM 749 C THR A 51 1.951 12.629 -0.799 1.00 0.00 C ATOM 750 O THR A 51 2.204 11.510 -0.362 1.00 0.00 O ATOM 751 CB THR A 51 3.659 14.415 -1.190 1.00 0.00 C ATOM 752 OG1 THR A 51 4.562 14.978 -2.122 1.00 0.00 O ATOM 753 CG2 THR A 51 4.464 13.972 0.011 1.00 0.00 C ATOM 0 H THR A 51 2.315 14.739 -3.246 1.00 0.00 H new ATOM 0 HA THR A 51 3.550 12.533 -2.214 1.00 0.00 H new ATOM 0 HB THR A 51 2.918 15.143 -0.861 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.073 15.561 -2.740 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.008 14.824 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.793 13.572 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.172 13.200 -0.290 1.00 0.00 H new ATOM 761 N GLN A 52 0.883 13.324 -0.426 1.00 0.00 N ATOM 762 CA GLN A 52 -0.054 12.785 0.557 1.00 0.00 C ATOM 763 C GLN A 52 -0.825 11.610 -0.027 1.00 0.00 C ATOM 764 O GLN A 52 -1.172 10.667 0.680 1.00 0.00 O ATOM 765 CB GLN A 52 -1.033 13.861 1.020 1.00 0.00 C ATOM 766 CG GLN A 52 -0.362 15.163 1.410 1.00 0.00 C ATOM 767 CD GLN A 52 -1.348 16.195 1.929 1.00 0.00 C ATOM 768 OE1 GLN A 52 -1.649 17.199 1.113 1.00 0.00 O flip ATOM 769 NE2 GLN A 52 -1.852 16.078 3.047 1.00 0.00 N flip ATOM 0 H GLN A 52 0.644 14.249 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 52 0.523 12.441 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.750 14.056 0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.599 13.484 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.389 14.966 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.163 15.570 0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.594 15.292 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.528 16.767 3.377 1.00 0.00 H new ATOM 778 N PHE A 53 -1.092 11.675 -1.326 1.00 0.00 N ATOM 779 CA PHE A 53 -1.827 10.613 -2.010 1.00 0.00 C ATOM 780 C PHE A 53 -1.134 9.267 -1.811 1.00 0.00 C ATOM 781 O PHE A 53 -1.747 8.297 -1.359 1.00 0.00 O ATOM 782 CB PHE A 53 -1.929 10.934 -3.504 1.00 0.00 C ATOM 783 CG PHE A 53 -2.790 9.977 -4.279 1.00 0.00 C ATOM 784 CD1 PHE A 53 -2.376 8.676 -4.505 1.00 0.00 C ATOM 785 CD2 PHE A 53 -4.017 10.381 -4.777 1.00 0.00 C ATOM 786 CE1 PHE A 53 -3.170 7.797 -5.214 1.00 0.00 C ATOM 787 CE2 PHE A 53 -4.814 9.507 -5.486 1.00 0.00 C ATOM 788 CZ PHE A 53 -4.391 8.212 -5.705 1.00 0.00 C ATOM 0 H PHE A 53 -0.812 12.450 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.829 10.551 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.327 11.942 -3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.927 10.935 -3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.422 8.345 -4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.354 11.393 -4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.835 6.784 -5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.769 9.836 -5.870 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.014 7.525 -6.259 1.00 0.00 H new ATOM 798 N PHE A 54 0.152 9.227 -2.155 1.00 0.00 N ATOM 799 CA PHE A 54 0.955 8.012 -2.033 1.00 0.00 C ATOM 800 C PHE A 54 1.121 7.591 -0.575 1.00 0.00 C ATOM 801 O PHE A 54 0.997 6.413 -0.244 1.00 0.00 O ATOM 802 CB PHE A 54 2.339 8.222 -2.664 1.00 0.00 C ATOM 803 CG PHE A 54 2.293 8.484 -4.142 1.00 0.00 C ATOM 804 CD1 PHE A 54 1.841 9.698 -4.634 1.00 0.00 C ATOM 805 CD2 PHE A 54 2.675 7.503 -5.041 1.00 0.00 C ATOM 806 CE1 PHE A 54 1.769 9.926 -5.995 1.00 0.00 C ATOM 807 CE2 PHE A 54 2.611 7.728 -6.403 1.00 0.00 C ATOM 808 CZ PHE A 54 2.156 8.940 -6.880 1.00 0.00 C ATOM 0 H PHE A 54 0.663 10.029 -2.523 1.00 0.00 H new ATOM 0 HA PHE A 54 0.427 7.218 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.831 9.060 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.951 7.339 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.542 10.475 -3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.027 6.550 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.410 10.875 -6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.917 6.956 -7.093 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.103 9.117 -7.944 1.00 0.00 H new ATOM 818 N ILE A 55 1.411 8.558 0.289 1.00 0.00 N ATOM 819 CA ILE A 55 1.612 8.277 1.711 1.00 0.00 C ATOM 820 C ILE A 55 0.341 7.745 2.369 1.00 0.00 C ATOM 821 O ILE A 55 0.344 6.665 2.956 1.00 0.00 O ATOM 822 CB ILE A 55 2.100 9.532 2.470 1.00 0.00 C ATOM 823 CG1 ILE A 55 3.425 10.023 1.881 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.261 9.243 3.959 1.00 0.00 C ATOM 825 CD1 ILE A 55 4.577 9.064 2.088 1.00 0.00 C ATOM 0 H ILE A 55 1.512 9.540 0.034 1.00 0.00 H new ATOM 0 HA ILE A 55 2.381 7.506 1.769 1.00 0.00 H new ATOM 0 HB ILE A 55 1.348 10.313 2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.295 10.196 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.678 10.983 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.605 10.143 4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.302 8.934 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.991 8.445 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.481 9.480 1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.735 8.910 3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.346 8.110 1.614 1.00 0.00 H new ATOM 837 N VAL A 56 -0.737 8.510 2.283 1.00 0.00 N ATOM 838 CA VAL A 56 -2.001 8.111 2.893 1.00 0.00 C ATOM 839 C VAL A 56 -2.524 6.801 2.315 1.00 0.00 C ATOM 840 O VAL A 56 -2.903 5.896 3.058 1.00 0.00 O ATOM 841 CB VAL A 56 -3.072 9.204 2.715 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.347 8.838 3.463 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.539 10.552 3.178 1.00 0.00 C ATOM 0 H VAL A 56 -0.764 9.408 1.799 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.801 7.967 3.955 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.314 9.278 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.089 9.624 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.738 7.897 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.128 8.731 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.308 11.313 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.265 10.493 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.661 10.818 2.589 1.00 0.00 H new ATOM 853 N MET A 57 -2.540 6.699 0.991 1.00 0.00 N ATOM 854 CA MET A 57 -3.020 5.492 0.337 1.00 0.00 C ATOM 855 C MET A 57 -2.066 4.338 0.581 1.00 0.00 C ATOM 856 O MET A 57 -2.479 3.189 0.722 1.00 0.00 O ATOM 857 CB MET A 57 -3.184 5.728 -1.166 1.00 0.00 C ATOM 858 CG MET A 57 -3.726 4.523 -1.914 1.00 0.00 C ATOM 859 SD MET A 57 -3.844 4.807 -3.692 1.00 0.00 S ATOM 860 CE MET A 57 -4.478 3.226 -4.248 1.00 0.00 C ATOM 0 H MET A 57 -2.228 7.433 0.355 1.00 0.00 H new ATOM 0 HA MET A 57 -3.991 5.237 0.761 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.854 6.574 -1.322 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.218 6.004 -1.590 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.081 3.664 -1.729 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.712 4.271 -1.524 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.722 3.284 -5.309 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.723 2.456 -4.091 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.375 2.975 -3.683 1.00 0.00 H new ATOM 870 N GLY A 58 -0.787 4.658 0.625 1.00 0.00 N ATOM 871 CA GLY A 58 0.227 3.646 0.843 1.00 0.00 C ATOM 872 C GLY A 58 0.206 3.077 2.248 1.00 0.00 C ATOM 873 O GLY A 58 0.292 1.862 2.427 1.00 0.00 O ATOM 0 H GLY A 58 -0.427 5.606 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.084 2.836 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.209 4.076 0.646 1.00 0.00 H new ATOM 877 N LEU A 59 0.095 3.947 3.250 1.00 0.00 N ATOM 878 CA LEU A 59 0.061 3.500 4.635 1.00 0.00 C ATOM 879 C LEU A 59 -1.154 2.610 4.868 1.00 0.00 C ATOM 880 O LEU A 59 -1.060 1.564 5.512 1.00 0.00 O ATOM 881 CB LEU A 59 0.033 4.699 5.586 1.00 0.00 C ATOM 882 CG LEU A 59 1.303 5.556 5.598 1.00 0.00 C ATOM 883 CD1 LEU A 59 1.159 6.715 6.576 1.00 0.00 C ATOM 884 CD2 LEU A 59 2.523 4.711 5.946 1.00 0.00 C ATOM 0 H LEU A 59 0.028 4.957 3.127 1.00 0.00 H new ATOM 0 HA LEU A 59 0.963 2.923 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.811 5.334 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.150 4.335 6.597 1.00 0.00 H new ATOM 0 HG LEU A 59 1.446 5.965 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.071 7.312 6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.316 7.339 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.987 6.325 7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.413 5.340 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.389 4.268 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.641 3.920 5.206 1.00 0.00 H new ATOM 896 N VAL A 60 -2.288 3.022 4.311 1.00 0.00 N ATOM 897 CA VAL A 60 -3.525 2.261 4.432 1.00 0.00 C ATOM 898 C VAL A 60 -3.434 0.968 3.629 1.00 0.00 C ATOM 899 O VAL A 60 -3.709 -0.118 4.138 1.00 0.00 O ATOM 900 CB VAL A 60 -4.730 3.084 3.930 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.027 2.306 4.093 1.00 0.00 C ATOM 902 CG2 VAL A 60 -4.805 4.418 4.656 1.00 0.00 C ATOM 0 H VAL A 60 -2.375 3.882 3.770 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.669 2.027 5.487 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.589 3.280 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.860 2.908 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.971 1.382 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.180 2.070 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.661 4.984 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.917 4.244 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.891 4.983 4.474 1.00 0.00 H new ATOM 912 N ASP A 61 -3.037 1.099 2.368 1.00 0.00 N ATOM 913 CA ASP A 61 -2.899 -0.040 1.478 1.00 0.00 C ATOM 914 C ASP A 61 -1.732 -0.936 1.887 1.00 0.00 C ATOM 915 O ASP A 61 -1.633 -2.082 1.444 1.00 0.00 O ATOM 916 CB ASP A 61 -2.692 0.458 0.049 1.00 0.00 C ATOM 917 CG ASP A 61 -3.876 1.256 -0.463 1.00 0.00 C ATOM 918 OD1 ASP A 61 -4.832 1.467 0.313 1.00 0.00 O ATOM 919 OD2 ASP A 61 -3.847 1.673 -1.641 1.00 0.00 O ATOM 0 H ASP A 61 -2.804 1.994 1.939 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.811 -0.634 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.796 1.077 0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.520 -0.394 -0.608 1.00 0.00 H new ATOM 924 N ALA A 62 -0.848 -0.412 2.728 1.00 0.00 N ATOM 925 CA ALA A 62 0.302 -1.177 3.186 1.00 0.00 C ATOM 926 C ALA A 62 -0.149 -2.461 3.868 1.00 0.00 C ATOM 927 O ALA A 62 0.514 -3.491 3.776 1.00 0.00 O ATOM 928 CB ALA A 62 1.150 -0.338 4.131 1.00 0.00 C ATOM 0 H ALA A 62 -0.906 0.534 3.104 1.00 0.00 H new ATOM 0 HA ALA A 62 0.909 -1.445 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.007 -0.922 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.500 0.554 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.551 -0.044 4.993 1.00 0.00 H new ATOM 934 N ILE A 63 -1.290 -2.391 4.543 1.00 0.00 N ATOM 935 CA ILE A 63 -1.841 -3.547 5.235 1.00 0.00 C ATOM 936 C ILE A 63 -2.058 -4.704 4.260 1.00 0.00 C ATOM 937 O ILE A 63 -1.394 -5.735 4.365 1.00 0.00 O ATOM 938 CB ILE A 63 -3.155 -3.187 5.960 1.00 0.00 C ATOM 939 CG1 ILE A 63 -2.865 -2.195 7.086 1.00 0.00 C ATOM 940 CG2 ILE A 63 -3.834 -4.437 6.505 1.00 0.00 C ATOM 941 CD1 ILE A 63 -4.103 -1.745 7.829 1.00 0.00 C ATOM 0 H ILE A 63 -1.852 -1.544 4.625 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.121 -3.864 5.989 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.836 -2.724 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.173 -2.653 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.364 -1.321 6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.758 -4.158 7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.062 -5.115 5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.169 -4.934 7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.821 -1.043 8.613 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.787 -1.258 7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.594 -2.610 8.275 1.00 0.00 H new ATOM 953 N PRO A 64 -2.982 -4.564 3.291 1.00 0.00 N ATOM 954 CA PRO A 64 -3.223 -5.620 2.319 1.00 0.00 C ATOM 955 C PRO A 64 -1.964 -5.921 1.525 1.00 0.00 C ATOM 956 O PRO A 64 -1.772 -7.031 1.034 1.00 0.00 O ATOM 957 CB PRO A 64 -4.327 -5.066 1.414 1.00 0.00 C ATOM 958 CG PRO A 64 -4.345 -3.595 1.663 1.00 0.00 C ATOM 959 CD PRO A 64 -3.847 -3.396 3.066 1.00 0.00 C ATOM 0 HA PRO A 64 -3.512 -6.559 2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.122 -5.284 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.291 -5.516 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.710 -3.072 0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.352 -3.194 1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.295 -2.462 3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.668 -3.360 3.782 1.00 0.00 H new ATOM 967 N MET A 65 -1.085 -4.931 1.440 1.00 0.00 N ATOM 968 CA MET A 65 0.181 -5.103 0.745 1.00 0.00 C ATOM 969 C MET A 65 1.091 -6.004 1.564 1.00 0.00 C ATOM 970 O MET A 65 1.890 -6.765 1.023 1.00 0.00 O ATOM 971 CB MET A 65 0.849 -3.756 0.511 1.00 0.00 C ATOM 972 CG MET A 65 0.281 -2.989 -0.666 1.00 0.00 C ATOM 973 SD MET A 65 0.401 -3.896 -2.222 1.00 0.00 S ATOM 974 CE MET A 65 2.176 -4.069 -2.387 1.00 0.00 C ATOM 0 H MET A 65 -1.226 -4.004 1.842 1.00 0.00 H new ATOM 0 HA MET A 65 -0.007 -5.565 -0.224 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.748 -3.149 1.411 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.916 -3.913 0.350 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.765 -2.754 -0.469 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.809 -2.040 -0.763 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.421 -4.346 -3.412 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.658 -3.123 -2.142 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.531 -4.844 -1.707 1.00 0.00 H new ATOM 984 N ILE A 66 0.934 -5.922 2.878 1.00 0.00 N ATOM 985 CA ILE A 66 1.713 -6.738 3.801 1.00 0.00 C ATOM 986 C ILE A 66 1.181 -8.167 3.791 1.00 0.00 C ATOM 987 O ILE A 66 1.947 -9.125 3.700 1.00 0.00 O ATOM 988 CB ILE A 66 1.668 -6.155 5.239 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.525 -4.892 5.317 1.00 0.00 C ATOM 990 CG2 ILE A 66 2.133 -7.168 6.279 1.00 0.00 C ATOM 991 CD1 ILE A 66 2.420 -4.172 6.644 1.00 0.00 C ATOM 0 H ILE A 66 0.270 -5.295 3.332 1.00 0.00 H new ATOM 0 HA ILE A 66 2.753 -6.736 3.474 1.00 0.00 H new ATOM 0 HB ILE A 66 0.630 -5.907 5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.567 -5.158 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.228 -4.211 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.086 -6.719 7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.487 -8.045 6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.159 -7.465 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.054 -3.286 6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.385 -3.875 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.745 -4.836 7.445 1.00 0.00 H new ATOM 1003 N ALA A 67 -0.138 -8.299 3.872 1.00 0.00 N ATOM 1004 CA ALA A 67 -0.771 -9.606 3.861 1.00 0.00 C ATOM 1005 C ALA A 67 -0.601 -10.270 2.502 1.00 0.00 C ATOM 1006 O ALA A 67 -0.094 -11.387 2.403 1.00 0.00 O ATOM 1007 CB ALA A 67 -2.244 -9.486 4.221 1.00 0.00 C ATOM 0 H ALA A 67 -0.787 -7.515 3.946 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.285 -10.232 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.703 -10.474 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.341 -9.054 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.745 -8.844 3.496 1.00 0.00 H new ATOM 1013 N VAL A 68 -1.017 -9.569 1.454 1.00 0.00 N ATOM 1014 CA VAL A 68 -0.895 -10.087 0.101 1.00 0.00 C ATOM 1015 C VAL A 68 0.572 -10.188 -0.297 1.00 0.00 C ATOM 1016 O VAL A 68 0.988 -11.161 -0.921 1.00 0.00 O ATOM 1017 CB VAL A 68 -1.640 -9.202 -0.921 1.00 0.00 C ATOM 1018 CG1 VAL A 68 -1.505 -9.781 -2.317 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -3.107 -9.055 -0.541 1.00 0.00 C ATOM 0 H VAL A 68 -1.440 -8.643 1.517 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.350 -11.078 0.093 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.187 -8.211 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.035 -9.146 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.451 -9.829 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.932 -10.784 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.612 -8.427 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.577 -10.038 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.183 -8.594 0.444 1.00 0.00 H new ATOM 1029 N GLY A 69 1.356 -9.180 0.075 1.00 0.00 N ATOM 1030 CA GLY A 69 2.771 -9.187 -0.251 1.00 0.00 C ATOM 1031 C GLY A 69 3.498 -10.333 0.418 1.00 0.00 C ATOM 1032 O GLY A 69 4.342 -10.980 -0.196 1.00 0.00 O ATOM 0 H GLY A 69 1.038 -8.362 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.894 -9.260 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.219 -8.243 0.058 1.00 0.00 H new ATOM 1036 N LEU A 70 3.167 -10.590 1.681 1.00 0.00 N ATOM 1037 CA LEU A 70 3.796 -11.675 2.422 1.00 0.00 C ATOM 1038 C LEU A 70 3.370 -13.012 1.833 1.00 0.00 C ATOM 1039 O LEU A 70 4.195 -13.895 1.604 1.00 0.00 O ATOM 1040 CB LEU A 70 3.419 -11.609 3.908 1.00 0.00 C ATOM 1041 CG LEU A 70 4.245 -12.508 4.836 1.00 0.00 C ATOM 1042 CD1 LEU A 70 3.899 -12.234 6.291 1.00 0.00 C ATOM 1043 CD2 LEU A 70 4.020 -13.977 4.509 1.00 0.00 C ATOM 0 H LEU A 70 2.470 -10.064 2.209 1.00 0.00 H new ATOM 0 HA LEU A 70 4.878 -11.572 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.519 -10.577 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.368 -11.877 4.011 1.00 0.00 H new ATOM 0 HG LEU A 70 5.299 -12.279 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.495 -12.881 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.114 -11.191 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.840 -12.433 6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.616 -14.595 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.965 -14.220 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.317 -14.170 3.478 1.00 0.00 H new ATOM 1055 N GLY A 71 2.072 -13.147 1.587 1.00 0.00 N ATOM 1056 CA GLY A 71 1.547 -14.377 1.023 1.00 0.00 C ATOM 1057 C GLY A 71 2.084 -14.659 -0.366 1.00 0.00 C ATOM 1058 O GLY A 71 2.471 -15.785 -0.672 1.00 0.00 O ATOM 0 H GLY A 71 1.373 -12.426 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.797 -15.209 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.459 -14.318 0.983 1.00 0.00 H new ATOM 1062 N LEU A 72 2.113 -13.635 -1.210 1.00 0.00 N ATOM 1063 CA LEU A 72 2.613 -13.786 -2.569 1.00 0.00 C ATOM 1064 C LEU A 72 4.131 -13.911 -2.562 1.00 0.00 C ATOM 1065 O LEU A 72 4.714 -14.586 -3.408 1.00 0.00 O ATOM 1066 CB LEU A 72 2.186 -12.602 -3.438 1.00 0.00 C ATOM 1067 CG LEU A 72 0.674 -12.396 -3.561 1.00 0.00 C ATOM 1068 CD1 LEU A 72 0.369 -11.194 -4.443 1.00 0.00 C ATOM 1069 CD2 LEU A 72 0.003 -13.643 -4.116 1.00 0.00 C ATOM 0 H LEU A 72 1.797 -12.694 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 72 2.186 -14.695 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.628 -11.694 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.601 -12.737 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 72 0.275 -12.206 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.710 -11.063 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.813 -10.300 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.786 -11.357 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.071 -13.474 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.409 -13.866 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.190 -14.484 -3.449 1.00 0.00 H new ATOM 1081 N TYR A 73 4.767 -13.277 -1.581 1.00 0.00 N ATOM 1082 CA TYR A 73 6.218 -13.335 -1.456 1.00 0.00 C ATOM 1083 C TYR A 73 6.654 -14.784 -1.320 1.00 0.00 C ATOM 1084 O TYR A 73 7.567 -15.239 -2.001 1.00 0.00 O ATOM 1085 CB TYR A 73 6.693 -12.533 -0.238 1.00 0.00 C ATOM 1086 CG TYR A 73 8.190 -12.579 -0.030 1.00 0.00 C ATOM 1087 CD1 TYR A 73 9.046 -11.814 -0.814 1.00 0.00 C ATOM 1088 CD2 TYR A 73 8.749 -13.405 0.937 1.00 0.00 C ATOM 1089 CE1 TYR A 73 10.417 -11.871 -0.638 1.00 0.00 C ATOM 1090 CE2 TYR A 73 10.119 -13.466 1.120 1.00 0.00 C ATOM 1091 CZ TYR A 73 10.946 -12.697 0.331 1.00 0.00 C ATOM 1092 OH TYR A 73 12.308 -12.755 0.512 1.00 0.00 O ATOM 0 H TYR A 73 4.302 -12.720 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 73 6.664 -12.897 -2.349 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.382 -11.495 -0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.199 -12.916 0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.634 -11.165 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.103 -14.010 1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.069 -11.272 -1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.538 -14.113 1.877 1.00 0.00 H new ATOM 0 HH TYR A 73 12.516 -13.384 1.235 1.00 0.00 H new ATOM 1102 N VAL A 74 5.973 -15.506 -0.441 1.00 0.00 N ATOM 1103 CA VAL A 74 6.267 -16.910 -0.218 1.00 0.00 C ATOM 1104 C VAL A 74 5.661 -17.765 -1.330 1.00 0.00 C ATOM 1105 O VAL A 74 6.234 -18.776 -1.730 1.00 0.00 O ATOM 1106 CB VAL A 74 5.745 -17.380 1.161 1.00 0.00 C ATOM 1107 CG1 VAL A 74 4.258 -17.096 1.306 1.00 0.00 C ATOM 1108 CG2 VAL A 74 6.035 -18.859 1.385 1.00 0.00 C ATOM 0 H VAL A 74 5.211 -15.139 0.130 1.00 0.00 H new ATOM 0 HA VAL A 74 7.350 -17.030 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 74 6.276 -16.814 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.916 -17.436 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.081 -16.025 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.709 -17.624 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.657 -19.160 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.545 -19.447 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.111 -19.029 1.344 1.00 0.00 H new ATOM 1118 N MET A 75 4.506 -17.351 -1.842 1.00 0.00 N ATOM 1119 CA MET A 75 3.854 -18.102 -2.909 1.00 0.00 C ATOM 1120 C MET A 75 4.614 -18.005 -4.233 1.00 0.00 C ATOM 1121 O MET A 75 5.265 -18.955 -4.650 1.00 0.00 O ATOM 1122 CB MET A 75 2.411 -17.635 -3.094 1.00 0.00 C ATOM 1123 CG MET A 75 1.396 -18.465 -2.321 1.00 0.00 C ATOM 1124 SD MET A 75 1.763 -18.577 -0.561 1.00 0.00 S ATOM 1125 CE MET A 75 0.367 -19.542 0.011 1.00 0.00 C ATOM 0 H MET A 75 4.009 -16.513 -1.541 1.00 0.00 H new ATOM 0 HA MET A 75 3.855 -19.149 -2.607 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.332 -16.595 -2.779 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.161 -17.667 -4.155 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.405 -18.030 -2.452 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.361 -19.469 -2.743 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.449 -19.698 1.087 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.558 -19.009 -0.209 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.360 -20.507 -0.496 1.00 0.00 H new ATOM 1135 N PHE A 76 4.528 -16.864 -4.902 1.00 0.00 N ATOM 1136 CA PHE A 76 5.202 -16.698 -6.188 1.00 0.00 C ATOM 1137 C PHE A 76 6.708 -16.952 -6.104 1.00 0.00 C ATOM 1138 O PHE A 76 7.323 -17.358 -7.089 1.00 0.00 O ATOM 1139 CB PHE A 76 4.963 -15.297 -6.760 1.00 0.00 C ATOM 1140 CG PHE A 76 3.572 -15.067 -7.282 1.00 0.00 C ATOM 1141 CD1 PHE A 76 3.018 -15.910 -8.235 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.820 -14.003 -6.821 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.739 -15.692 -8.710 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.542 -13.780 -7.292 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.000 -14.626 -8.237 1.00 0.00 C ATOM 0 H PHE A 76 4.006 -16.047 -4.584 1.00 0.00 H new ATOM 0 HA PHE A 76 4.769 -17.447 -6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.173 -14.561 -5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.674 -15.121 -7.567 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.592 -16.745 -8.609 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.238 -13.336 -6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.318 -16.355 -9.451 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.967 -12.944 -6.921 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.000 -14.455 -8.606 1.00 0.00 H new ATOM 1155 N ALA A 77 7.307 -16.688 -4.949 1.00 0.00 N ATOM 1156 CA ALA A 77 8.745 -16.868 -4.791 1.00 0.00 C ATOM 1157 C ALA A 77 9.114 -18.238 -4.234 1.00 0.00 C ATOM 1158 O ALA A 77 9.930 -18.956 -4.813 1.00 0.00 O ATOM 1159 CB ALA A 77 9.320 -15.766 -3.915 1.00 0.00 C ATOM 0 H ALA A 77 6.825 -16.352 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 77 9.183 -16.807 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.395 -15.912 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.131 -14.797 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.847 -15.797 -2.933 1.00 0.00 H new ATOM 1165 N VAL A 78 8.531 -18.584 -3.100 1.00 0.00 N ATOM 1166 CA VAL A 78 8.821 -19.858 -2.452 1.00 0.00 C ATOM 1167 C VAL A 78 7.851 -20.961 -2.884 1.00 0.00 C ATOM 1168 O VAL A 78 8.067 -22.136 -2.586 1.00 0.00 O ATOM 1169 CB VAL A 78 8.790 -19.724 -0.913 1.00 0.00 C ATOM 1170 CG1 VAL A 78 9.342 -20.973 -0.244 1.00 0.00 C ATOM 1171 CG2 VAL A 78 9.562 -18.490 -0.471 1.00 0.00 C ATOM 0 H VAL A 78 7.853 -18.003 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 78 9.825 -20.140 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 78 7.751 -19.611 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.308 -20.851 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.740 -21.836 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.374 -21.129 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.530 -18.411 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.598 -18.573 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.111 -17.601 -0.913 1.00 0.00 H new ATOM 1181 N ALA A 79 6.788 -20.592 -3.594 1.00 0.00 N ATOM 1182 CA ALA A 79 5.809 -21.574 -4.051 1.00 0.00 C ATOM 1183 C ALA A 79 5.198 -22.327 -2.875 1.00 0.00 C ATOM 1184 O ALA A 79 5.219 -21.848 -1.741 1.00 0.00 O ATOM 1185 CB ALA A 79 6.456 -22.549 -5.024 1.00 0.00 C ATOM 0 H ALA A 79 6.584 -19.630 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 79 5.008 -21.041 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.715 -23.276 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.841 -22.002 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.276 -23.068 -4.528 1.00 0.00 H new