USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 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 Set 1.1: A 6 MET CE :methyl -163:sc= -1.6! (180deg=-0.433) USER MOD Set 1.2: A 10 TYR OH : rot 30:sc= -1.39! USER MOD Set 1.3: A 75 MET CE :methyl -159:sc= -0.0309 (180deg=-0.303) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.322 (180deg=-0.473) USER MOD Single : A 3 ASN : amide:sc= -2.31 K(o=-2.3,f=-7.3!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.543 F(o=-1.4,f=-0.54) USER MOD Single : A 11 MET CE :methyl -140:sc= -0.147 (180deg=-0.681) USER MOD Single : A 16 MET CE :methyl -171:sc= -6.78! (180deg=-6.9!) USER MOD Single : A 17 MET CE :methyl -160:sc= -0.158 (180deg=-0.826) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.31) USER MOD Single : A 51 THR OG1 : rot 112:sc= 1.13 USER MOD Single : A 52 GLN : amide:sc= -8.87! C(o=-8.9!,f=-13!) USER MOD Single : A 57 MET CE :methyl -174:sc= -2.86 (180deg=-3.19) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.729 -29.672 1.372 1.00 0.00 N ATOM 2 CA MET A 1 -5.021 -28.313 1.904 1.00 0.00 C ATOM 3 C MET A 1 -4.175 -27.243 1.222 1.00 0.00 C ATOM 4 O MET A 1 -4.425 -26.048 1.376 1.00 0.00 O ATOM 5 CB MET A 1 -4.756 -28.317 3.410 1.00 0.00 C ATOM 6 CG MET A 1 -3.314 -28.619 3.777 1.00 0.00 C ATOM 7 SD MET A 1 -3.050 -28.677 5.561 1.00 0.00 S ATOM 8 CE MET A 1 -1.318 -29.128 5.632 1.00 0.00 C ATOM 0 H1 MET A 1 -5.261 -30.380 1.918 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.012 -29.722 0.372 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.710 -29.865 1.454 1.00 0.00 H new ATOM 0 HA MET A 1 -6.064 -28.071 1.701 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.030 -27.345 3.820 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.404 -29.056 3.882 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.024 -29.574 3.339 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.665 -27.859 3.342 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.004 -29.204 6.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.172 -30.089 5.138 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.723 -28.367 5.128 1.00 0.00 H new ATOM 20 N GLU A 2 -3.180 -27.681 0.469 1.00 0.00 N ATOM 21 CA GLU A 2 -2.295 -26.765 -0.240 1.00 0.00 C ATOM 22 C GLU A 2 -3.048 -26.025 -1.339 1.00 0.00 C ATOM 23 O GLU A 2 -2.969 -24.800 -1.446 1.00 0.00 O ATOM 24 CB GLU A 2 -1.113 -27.529 -0.840 1.00 0.00 C ATOM 25 CG GLU A 2 -0.269 -28.253 0.195 1.00 0.00 C ATOM 26 CD GLU A 2 0.356 -27.309 1.204 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.142 -26.432 0.788 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.059 -27.447 2.409 1.00 0.00 O ATOM 0 H GLU A 2 -2.962 -28.668 0.331 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.920 -26.033 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.489 -28.254 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.481 -26.831 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.889 -28.980 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.519 -28.811 -0.311 1.00 0.00 H new ATOM 35 N ASN A 3 -3.778 -26.774 -2.158 1.00 0.00 N ATOM 36 CA ASN A 3 -4.543 -26.181 -3.246 1.00 0.00 C ATOM 37 C ASN A 3 -5.627 -25.260 -2.698 1.00 0.00 C ATOM 38 O ASN A 3 -5.987 -24.271 -3.333 1.00 0.00 O ATOM 39 CB ASN A 3 -5.165 -27.270 -4.124 1.00 0.00 C ATOM 40 CG ASN A 3 -6.099 -28.179 -3.350 1.00 0.00 C ATOM 41 OD1 ASN A 3 -7.080 -27.724 -2.763 1.00 0.00 O ATOM 42 ND2 ASN A 3 -5.799 -29.472 -3.348 1.00 0.00 N ATOM 0 H ASN A 3 -3.855 -27.789 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.862 -25.590 -3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.714 -26.803 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.371 -27.867 -4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.392 -30.132 -2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.975 -29.805 -3.849 1.00 0.00 H new ATOM 49 N LEU A 4 -6.133 -25.583 -1.511 1.00 0.00 N ATOM 50 CA LEU A 4 -7.168 -24.773 -0.877 1.00 0.00 C ATOM 51 C LEU A 4 -6.572 -23.510 -0.276 1.00 0.00 C ATOM 52 O LEU A 4 -7.076 -22.415 -0.507 1.00 0.00 O ATOM 53 CB LEU A 4 -7.901 -25.580 0.196 1.00 0.00 C ATOM 54 CG LEU A 4 -8.652 -26.807 -0.325 1.00 0.00 C ATOM 55 CD1 LEU A 4 -9.394 -27.502 0.806 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.614 -26.409 -1.434 1.00 0.00 C ATOM 0 H LEU A 4 -5.844 -26.398 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.887 -24.482 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.178 -25.905 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.610 -24.925 0.702 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.925 -27.508 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.922 -28.372 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.681 -27.822 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.112 -26.811 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.140 -27.293 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.336 -25.689 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.056 -25.959 -2.256 1.00 0.00 H new ATOM 68 N ASN A 5 -5.488 -23.658 0.477 1.00 0.00 N ATOM 69 CA ASN A 5 -4.835 -22.502 1.075 1.00 0.00 C ATOM 70 C ASN A 5 -4.123 -21.689 -0.001 1.00 0.00 C ATOM 71 O ASN A 5 -3.760 -20.533 0.216 1.00 0.00 O ATOM 72 CB ASN A 5 -3.844 -22.930 2.160 1.00 0.00 C ATOM 73 CG ASN A 5 -4.523 -23.633 3.321 1.00 0.00 C ATOM 74 OD1 ASN A 5 -4.081 -24.849 3.617 1.00 0.00 O flip ATOM 75 ND2 ASN A 5 -5.428 -23.085 3.950 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.048 -24.554 0.685 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.600 -21.882 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.097 -23.593 1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.314 -22.053 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.737 -22.149 3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.869 -23.567 4.733 1.00 0.00 H new ATOM 82 N MET A 6 -3.937 -22.303 -1.165 1.00 0.00 N ATOM 83 CA MET A 6 -3.290 -21.642 -2.285 1.00 0.00 C ATOM 84 C MET A 6 -4.301 -20.771 -3.024 1.00 0.00 C ATOM 85 O MET A 6 -4.120 -19.554 -3.154 1.00 0.00 O ATOM 86 CB MET A 6 -2.683 -22.692 -3.222 1.00 0.00 C ATOM 87 CG MET A 6 -2.018 -22.123 -4.465 1.00 0.00 C ATOM 88 SD MET A 6 -1.298 -23.408 -5.506 1.00 0.00 S ATOM 89 CE MET A 6 -0.701 -22.441 -6.890 1.00 0.00 C ATOM 0 H MET A 6 -4.228 -23.262 -1.354 1.00 0.00 H new ATOM 0 HA MET A 6 -2.488 -21.001 -1.919 1.00 0.00 H new ATOM 0 HB2 MET A 6 -1.947 -23.274 -2.666 1.00 0.00 H new ATOM 0 HB3 MET A 6 -3.468 -23.382 -3.530 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.752 -21.560 -5.042 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.239 -21.420 -4.168 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.509 -23.099 -7.738 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.452 -21.701 -7.168 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.222 -21.934 -6.608 1.00 0.00 H new ATOM 99 N ASP A 7 -5.381 -21.395 -3.488 1.00 0.00 N ATOM 100 CA ASP A 7 -6.426 -20.674 -4.193 1.00 0.00 C ATOM 101 C ASP A 7 -7.160 -19.749 -3.231 1.00 0.00 C ATOM 102 O ASP A 7 -7.478 -18.610 -3.574 1.00 0.00 O ATOM 103 CB ASP A 7 -7.412 -21.647 -4.846 1.00 0.00 C ATOM 104 CG ASP A 7 -8.340 -22.302 -3.840 1.00 0.00 C ATOM 105 OD1 ASP A 7 -7.838 -22.825 -2.827 1.00 0.00 O ATOM 106 OD2 ASP A 7 -9.567 -22.289 -4.068 1.00 0.00 O ATOM 0 H ASP A 7 -5.551 -22.396 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.964 -20.077 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.006 -21.113 -5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.856 -22.419 -5.378 1.00 0.00 H new ATOM 111 N LEU A 8 -7.433 -20.242 -2.020 1.00 0.00 N ATOM 112 CA LEU A 8 -8.129 -19.432 -1.029 1.00 0.00 C ATOM 113 C LEU A 8 -7.333 -18.174 -0.711 1.00 0.00 C ATOM 114 O LEU A 8 -7.906 -17.096 -0.547 1.00 0.00 O ATOM 115 CB LEU A 8 -8.382 -20.218 0.252 1.00 0.00 C ATOM 116 CG LEU A 8 -9.089 -19.434 1.362 1.00 0.00 C ATOM 117 CD1 LEU A 8 -10.429 -18.904 0.874 1.00 0.00 C ATOM 118 CD2 LEU A 8 -9.277 -20.305 2.595 1.00 0.00 C ATOM 0 H LEU A 8 -7.186 -21.182 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.092 -19.149 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.981 -21.096 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.427 -20.579 0.634 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.462 -18.584 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.915 -18.350 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.270 -18.243 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.063 -19.738 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.781 -19.731 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.881 -21.175 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.304 -20.634 2.960 1.00 0.00 H new ATOM 130 N LEU A 9 -6.010 -18.307 -0.629 1.00 0.00 N ATOM 131 CA LEU A 9 -5.161 -17.161 -0.336 1.00 0.00 C ATOM 132 C LEU A 9 -5.193 -16.175 -1.497 1.00 0.00 C ATOM 133 O LEU A 9 -5.575 -15.017 -1.324 1.00 0.00 O ATOM 134 CB LEU A 9 -3.729 -17.605 -0.042 1.00 0.00 C ATOM 135 CG LEU A 9 -2.776 -16.474 0.349 1.00 0.00 C ATOM 136 CD1 LEU A 9 -3.338 -15.685 1.521 1.00 0.00 C ATOM 137 CD2 LEU A 9 -1.407 -17.029 0.697 1.00 0.00 C ATOM 0 H LEU A 9 -5.511 -19.187 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.546 -16.664 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.749 -18.339 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.331 -18.109 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.672 -15.803 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.647 -14.885 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.301 -15.256 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.470 -16.348 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.742 -16.211 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.497 -17.721 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.997 -17.554 -0.166 1.00 0.00 H new ATOM 149 N TYR A 10 -4.829 -16.642 -2.692 1.00 0.00 N ATOM 150 CA TYR A 10 -4.850 -15.785 -3.880 1.00 0.00 C ATOM 151 C TYR A 10 -6.199 -15.100 -3.994 1.00 0.00 C ATOM 152 O TYR A 10 -6.294 -13.881 -4.138 1.00 0.00 O ATOM 153 CB TYR A 10 -4.634 -16.615 -5.144 1.00 0.00 C ATOM 154 CG TYR A 10 -3.413 -17.500 -5.128 1.00 0.00 C ATOM 155 CD1 TYR A 10 -2.352 -17.274 -4.258 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.323 -18.563 -6.008 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.240 -18.089 -4.267 1.00 0.00 C ATOM 158 CE2 TYR A 10 -2.213 -19.382 -6.025 1.00 0.00 C ATOM 159 CZ TYR A 10 -1.176 -19.141 -5.151 1.00 0.00 C ATOM 160 OH TYR A 10 -0.064 -19.951 -5.166 1.00 0.00 O ATOM 0 H TYR A 10 -4.519 -17.599 -2.863 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.052 -15.049 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.513 -17.239 -5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.562 -15.939 -5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.400 -16.447 -3.565 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.135 -18.755 -6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.424 -17.903 -3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.157 -20.207 -6.719 1.00 0.00 H new ATOM 0 HH TYR A 10 0.330 -19.983 -4.269 1.00 0.00 H new ATOM 170 N MET A 11 -7.242 -15.911 -3.935 1.00 0.00 N ATOM 171 CA MET A 11 -8.601 -15.423 -4.031 1.00 0.00 C ATOM 172 C MET A 11 -8.881 -14.451 -2.896 1.00 0.00 C ATOM 173 O MET A 11 -9.524 -13.418 -3.087 1.00 0.00 O ATOM 174 CB MET A 11 -9.563 -16.604 -3.989 1.00 0.00 C ATOM 175 CG MET A 11 -10.981 -16.260 -4.418 1.00 0.00 C ATOM 176 SD MET A 11 -12.090 -17.682 -4.369 1.00 0.00 S ATOM 177 CE MET A 11 -11.315 -18.765 -5.567 1.00 0.00 C ATOM 0 H MET A 11 -7.168 -16.922 -3.820 1.00 0.00 H new ATOM 0 HA MET A 11 -8.740 -14.893 -4.973 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.180 -17.395 -4.634 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.588 -17.004 -2.975 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.372 -15.477 -3.768 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.962 -15.855 -5.430 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.083 -19.255 -6.165 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.665 -18.181 -6.219 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.724 -19.519 -5.047 1.00 0.00 H new ATOM 187 N ALA A 12 -8.355 -14.773 -1.718 1.00 0.00 N ATOM 188 CA ALA A 12 -8.513 -13.910 -0.559 1.00 0.00 C ATOM 189 C ALA A 12 -7.881 -12.563 -0.844 1.00 0.00 C ATOM 190 O ALA A 12 -8.388 -11.540 -0.425 1.00 0.00 O ATOM 191 CB ALA A 12 -7.893 -14.543 0.679 1.00 0.00 C ATOM 0 H ALA A 12 -7.818 -15.623 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.576 -13.773 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.024 -13.878 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.381 -15.496 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.829 -14.709 0.509 1.00 0.00 H new ATOM 197 N ALA A 13 -6.781 -12.571 -1.585 1.00 0.00 N ATOM 198 CA ALA A 13 -6.110 -11.335 -1.942 1.00 0.00 C ATOM 199 C ALA A 13 -7.017 -10.491 -2.824 1.00 0.00 C ATOM 200 O ALA A 13 -7.058 -9.272 -2.701 1.00 0.00 O ATOM 201 CB ALA A 13 -4.794 -11.626 -2.649 1.00 0.00 C ATOM 0 H ALA A 13 -6.339 -13.416 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.889 -10.778 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.305 -10.687 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.146 -12.202 -1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.987 -12.198 -3.557 1.00 0.00 H new ATOM 207 N ALA A 14 -7.763 -11.153 -3.703 1.00 0.00 N ATOM 208 CA ALA A 14 -8.688 -10.456 -4.587 1.00 0.00 C ATOM 209 C ALA A 14 -9.775 -9.783 -3.760 1.00 0.00 C ATOM 210 O ALA A 14 -9.989 -8.574 -3.855 1.00 0.00 O ATOM 211 CB ALA A 14 -9.300 -11.421 -5.592 1.00 0.00 C ATOM 0 H ALA A 14 -7.745 -12.166 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.141 -9.694 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.988 -10.881 -6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.509 -11.870 -6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.842 -12.204 -5.061 1.00 0.00 H new ATOM 217 N VAL A 15 -10.441 -10.578 -2.928 1.00 0.00 N ATOM 218 CA VAL A 15 -11.492 -10.070 -2.057 1.00 0.00 C ATOM 219 C VAL A 15 -10.919 -9.030 -1.100 1.00 0.00 C ATOM 220 O VAL A 15 -11.453 -7.934 -0.962 1.00 0.00 O ATOM 221 CB VAL A 15 -12.138 -11.211 -1.244 1.00 0.00 C ATOM 222 CG1 VAL A 15 -13.274 -10.682 -0.375 1.00 0.00 C ATOM 223 CG2 VAL A 15 -12.631 -12.308 -2.173 1.00 0.00 C ATOM 0 H VAL A 15 -10.270 -11.580 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.257 -9.612 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.382 -11.635 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.714 -11.504 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.885 -9.935 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.036 -10.228 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.084 -13.106 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.371 -11.898 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.791 -12.708 -2.741 1.00 0.00 H new ATOM 233 N MET A 16 -9.819 -9.392 -0.453 1.00 0.00 N ATOM 234 CA MET A 16 -9.140 -8.507 0.493 1.00 0.00 C ATOM 235 C MET A 16 -8.741 -7.195 -0.173 1.00 0.00 C ATOM 236 O MET A 16 -8.949 -6.115 0.380 1.00 0.00 O ATOM 237 CB MET A 16 -7.895 -9.192 1.072 1.00 0.00 C ATOM 238 CG MET A 16 -8.116 -9.885 2.413 1.00 0.00 C ATOM 239 SD MET A 16 -9.105 -11.393 2.303 1.00 0.00 S ATOM 240 CE MET A 16 -10.768 -10.736 2.193 1.00 0.00 C ATOM 0 H MET A 16 -9.372 -10.302 -0.566 1.00 0.00 H new ATOM 0 HA MET A 16 -9.837 -8.288 1.302 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.534 -9.928 0.353 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.108 -8.447 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.147 -10.129 2.849 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.606 -9.189 3.094 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.487 -11.550 2.281 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.930 -10.020 2.998 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.900 -10.238 1.232 1.00 0.00 H new ATOM 250 N MET A 17 -8.164 -7.301 -1.359 1.00 0.00 N ATOM 251 CA MET A 17 -7.731 -6.127 -2.108 1.00 0.00 C ATOM 252 C MET A 17 -8.927 -5.282 -2.512 1.00 0.00 C ATOM 253 O MET A 17 -8.887 -4.055 -2.428 1.00 0.00 O ATOM 254 CB MET A 17 -6.937 -6.534 -3.355 1.00 0.00 C ATOM 255 CG MET A 17 -5.530 -7.030 -3.057 1.00 0.00 C ATOM 256 SD MET A 17 -4.476 -5.750 -2.349 1.00 0.00 S ATOM 257 CE MET A 17 -4.498 -4.524 -3.654 1.00 0.00 C ATOM 0 H MET A 17 -7.983 -8.189 -1.827 1.00 0.00 H new ATOM 0 HA MET A 17 -7.082 -5.538 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.483 -7.316 -3.882 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.875 -5.679 -4.029 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.585 -7.872 -2.367 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.077 -7.400 -3.977 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.643 -3.857 -3.541 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.444 -5.022 -4.622 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.420 -3.946 -3.594 1.00 0.00 H new ATOM 267 N GLY A 18 -9.997 -5.945 -2.943 1.00 0.00 N ATOM 268 CA GLY A 18 -11.193 -5.236 -3.349 1.00 0.00 C ATOM 269 C GLY A 18 -11.865 -4.552 -2.182 1.00 0.00 C ATOM 270 O GLY A 18 -12.107 -3.348 -2.216 1.00 0.00 O ATOM 0 H GLY A 18 -10.055 -6.961 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.936 -4.495 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.890 -5.935 -3.811 1.00 0.00 H new ATOM 274 N LEU A 19 -12.160 -5.320 -1.139 1.00 0.00 N ATOM 275 CA LEU A 19 -12.800 -4.779 0.050 1.00 0.00 C ATOM 276 C LEU A 19 -11.921 -3.696 0.651 1.00 0.00 C ATOM 277 O LEU A 19 -12.401 -2.633 1.048 1.00 0.00 O ATOM 278 CB LEU A 19 -13.055 -5.893 1.069 1.00 0.00 C ATOM 279 CG LEU A 19 -11.813 -6.445 1.774 1.00 0.00 C ATOM 280 CD1 LEU A 19 -11.425 -5.573 2.962 1.00 0.00 C ATOM 281 CD2 LEU A 19 -12.051 -7.877 2.222 1.00 0.00 C ATOM 0 H LEU A 19 -11.965 -6.320 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.761 -4.343 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.743 -5.517 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.558 -6.716 0.562 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.987 -6.434 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.540 -5.988 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.209 -4.562 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.248 -5.544 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.159 -8.255 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.894 -7.907 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.271 -8.498 1.354 1.00 0.00 H new ATOM 293 N ALA A 20 -10.621 -3.967 0.694 1.00 0.00 N ATOM 294 CA ALA A 20 -9.665 -3.012 1.221 1.00 0.00 C ATOM 295 C ALA A 20 -9.561 -1.822 0.285 1.00 0.00 C ATOM 296 O ALA A 20 -9.315 -0.700 0.717 1.00 0.00 O ATOM 297 CB ALA A 20 -8.304 -3.661 1.414 1.00 0.00 C ATOM 0 H ALA A 20 -10.209 -4.842 0.369 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.013 -2.668 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.603 -2.926 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.393 -4.492 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.938 -4.032 0.456 1.00 0.00 H new ATOM 303 N ALA A 21 -9.770 -2.074 -1.005 1.00 0.00 N ATOM 304 CA ALA A 21 -9.719 -1.013 -2.002 1.00 0.00 C ATOM 305 C ALA A 21 -10.879 -0.061 -1.801 1.00 0.00 C ATOM 306 O ALA A 21 -10.722 1.155 -1.872 1.00 0.00 O ATOM 307 CB ALA A 21 -9.736 -1.587 -3.413 1.00 0.00 C ATOM 0 H ALA A 21 -9.975 -3.000 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.785 -0.465 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.697 -0.773 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.873 -2.238 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.651 -2.161 -3.561 1.00 0.00 H new ATOM 313 N ILE A 22 -12.039 -0.633 -1.528 1.00 0.00 N ATOM 314 CA ILE A 22 -13.239 0.151 -1.290 1.00 0.00 C ATOM 315 C ILE A 22 -13.069 0.991 -0.032 1.00 0.00 C ATOM 316 O ILE A 22 -13.180 2.212 -0.073 1.00 0.00 O ATOM 317 CB ILE A 22 -14.483 -0.745 -1.145 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.648 -1.621 -2.386 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.728 0.103 -0.924 1.00 0.00 C ATOM 320 CD1 ILE A 22 -15.789 -2.609 -2.282 1.00 0.00 C ATOM 0 H ILE A 22 -12.176 -1.642 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.387 0.800 -2.153 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.349 -1.390 -0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.810 -0.981 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.721 -2.167 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.598 -0.547 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.609 0.694 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.870 0.770 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.846 -3.196 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -15.619 -3.274 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -16.725 -2.070 -2.138 1.00 0.00 H new ATOM 332 N GLY A 23 -12.778 0.328 1.086 1.00 0.00 N ATOM 333 CA GLY A 23 -12.579 1.042 2.334 1.00 0.00 C ATOM 334 C GLY A 23 -11.423 2.016 2.236 1.00 0.00 C ATOM 335 O GLY A 23 -11.520 3.163 2.682 1.00 0.00 O ATOM 0 H GLY A 23 -12.677 -0.685 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.490 1.581 2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.389 0.329 3.136 1.00 0.00 H new ATOM 339 N ALA A 24 -10.331 1.558 1.633 1.00 0.00 N ATOM 340 CA ALA A 24 -9.150 2.389 1.454 1.00 0.00 C ATOM 341 C ALA A 24 -9.490 3.608 0.616 1.00 0.00 C ATOM 342 O ALA A 24 -9.097 4.723 0.949 1.00 0.00 O ATOM 343 CB ALA A 24 -8.030 1.598 0.796 1.00 0.00 C ATOM 0 H ALA A 24 -10.241 0.613 1.260 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.809 2.717 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.157 2.238 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.769 0.746 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.361 1.242 -0.180 1.00 0.00 H new ATOM 349 N ALA A 25 -10.223 3.383 -0.474 1.00 0.00 N ATOM 350 CA ALA A 25 -10.625 4.465 -1.363 1.00 0.00 C ATOM 351 C ALA A 25 -11.476 5.478 -0.613 1.00 0.00 C ATOM 352 O ALA A 25 -11.255 6.687 -0.704 1.00 0.00 O ATOM 353 CB ALA A 25 -11.388 3.922 -2.563 1.00 0.00 C ATOM 0 H ALA A 25 -10.549 2.460 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.725 4.962 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.678 4.747 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.752 3.231 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.281 3.399 -2.220 1.00 0.00 H new ATOM 359 N ILE A 26 -12.446 4.972 0.138 1.00 0.00 N ATOM 360 CA ILE A 26 -13.334 5.821 0.913 1.00 0.00 C ATOM 361 C ILE A 26 -12.553 6.746 1.840 1.00 0.00 C ATOM 362 O ILE A 26 -12.723 7.959 1.794 1.00 0.00 O ATOM 363 CB ILE A 26 -14.329 4.989 1.733 1.00 0.00 C ATOM 364 CG1 ILE A 26 -15.229 4.203 0.788 1.00 0.00 C ATOM 365 CG2 ILE A 26 -15.162 5.877 2.653 1.00 0.00 C ATOM 366 CD1 ILE A 26 -15.985 5.065 -0.199 1.00 0.00 C ATOM 0 H ILE A 26 -12.636 3.974 0.225 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.890 6.430 0.200 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.772 4.295 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -14.622 3.485 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.945 3.630 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -15.858 5.260 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.503 6.408 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -15.720 6.598 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.603 4.432 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.621 5.766 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -15.277 5.619 -0.815 1.00 0.00 H new ATOM 378 N GLY A 27 -11.707 6.168 2.688 1.00 0.00 N ATOM 379 CA GLY A 27 -10.935 6.978 3.618 1.00 0.00 C ATOM 380 C GLY A 27 -9.935 7.882 2.930 1.00 0.00 C ATOM 381 O GLY A 27 -9.869 9.072 3.237 1.00 0.00 O ATOM 0 H GLY A 27 -11.542 5.163 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.616 7.586 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.407 6.322 4.310 1.00 0.00 H new ATOM 385 N ILE A 28 -9.149 7.337 1.998 1.00 0.00 N ATOM 386 CA ILE A 28 -8.172 8.154 1.293 1.00 0.00 C ATOM 387 C ILE A 28 -8.846 9.409 0.778 1.00 0.00 C ATOM 388 O ILE A 28 -8.359 10.515 0.969 1.00 0.00 O ATOM 389 CB ILE A 28 -7.501 7.414 0.124 1.00 0.00 C ATOM 390 CG1 ILE A 28 -8.525 6.876 -0.867 1.00 0.00 C ATOM 391 CG2 ILE A 28 -6.625 6.286 0.641 1.00 0.00 C ATOM 392 CD1 ILE A 28 -7.891 6.260 -2.098 1.00 0.00 C ATOM 0 H ILE A 28 -9.171 6.355 1.722 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.385 8.402 2.006 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.877 8.135 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.144 6.128 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.187 7.686 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.158 5.773 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.852 6.695 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.236 5.579 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.672 5.895 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.294 7.012 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.251 5.430 -1.801 1.00 0.00 H new ATOM 404 N GLY A 29 -9.998 9.216 0.167 1.00 0.00 N ATOM 405 CA GLY A 29 -10.769 10.333 -0.332 1.00 0.00 C ATOM 406 C GLY A 29 -11.261 11.208 0.804 1.00 0.00 C ATOM 407 O GLY A 29 -11.302 12.432 0.686 1.00 0.00 O ATOM 0 H GLY A 29 -10.418 8.300 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.158 10.925 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.619 9.964 -0.906 1.00 0.00 H new ATOM 411 N ILE A 30 -11.622 10.571 1.921 1.00 0.00 N ATOM 412 CA ILE A 30 -12.097 11.293 3.098 1.00 0.00 C ATOM 413 C ILE A 30 -11.030 12.263 3.603 1.00 0.00 C ATOM 414 O ILE A 30 -11.163 13.478 3.460 1.00 0.00 O ATOM 415 CB ILE A 30 -12.498 10.317 4.235 1.00 0.00 C ATOM 416 CG1 ILE A 30 -13.755 9.545 3.847 1.00 0.00 C ATOM 417 CG2 ILE A 30 -12.733 11.070 5.539 1.00 0.00 C ATOM 418 CD1 ILE A 30 -14.119 8.454 4.830 1.00 0.00 C ATOM 0 H ILE A 30 -11.593 9.557 2.032 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.981 11.858 2.801 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.678 9.614 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.589 10.242 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.611 9.102 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.013 10.364 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.820 11.589 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.535 11.795 5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -15.022 7.946 4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -13.302 7.736 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.296 8.893 5.812 1.00 0.00 H new ATOM 430 N LEU A 31 -9.970 11.713 4.185 1.00 0.00 N ATOM 431 CA LEU A 31 -8.873 12.517 4.709 1.00 0.00 C ATOM 432 C LEU A 31 -8.115 13.181 3.565 1.00 0.00 C ATOM 433 O LEU A 31 -7.579 14.279 3.710 1.00 0.00 O ATOM 434 CB LEU A 31 -7.936 11.627 5.534 1.00 0.00 C ATOM 435 CG LEU A 31 -6.876 12.356 6.365 1.00 0.00 C ATOM 436 CD1 LEU A 31 -6.193 11.389 7.323 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.849 13.020 5.464 1.00 0.00 C ATOM 0 H LEU A 31 -9.847 10.708 4.306 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.273 13.301 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.542 11.020 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.429 10.941 4.856 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.373 13.131 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.443 11.923 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.935 10.958 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.712 10.593 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.106 13.532 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.357 12.263 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.346 13.742 4.816 1.00 0.00 H new ATOM 449 N GLY A 32 -8.086 12.511 2.418 1.00 0.00 N ATOM 450 CA GLY A 32 -7.403 13.056 1.261 1.00 0.00 C ATOM 451 C GLY A 32 -7.979 14.387 0.839 1.00 0.00 C ATOM 452 O GLY A 32 -7.243 15.335 0.609 1.00 0.00 O ATOM 0 H GLY A 32 -8.523 11.601 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.344 13.175 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.474 12.351 0.433 1.00 0.00 H new ATOM 456 N GLY A 33 -9.300 14.461 0.736 1.00 0.00 N ATOM 457 CA GLY A 33 -9.936 15.702 0.338 1.00 0.00 C ATOM 458 C GLY A 33 -9.627 16.839 1.293 1.00 0.00 C ATOM 459 O GLY A 33 -9.210 17.916 0.872 1.00 0.00 O ATOM 0 H GLY A 33 -9.940 13.688 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.605 15.972 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.015 15.555 0.288 1.00 0.00 H new ATOM 463 N LYS A 34 -9.835 16.595 2.583 1.00 0.00 N ATOM 464 CA LYS A 34 -9.585 17.602 3.609 1.00 0.00 C ATOM 465 C LYS A 34 -8.120 18.041 3.624 1.00 0.00 C ATOM 466 O LYS A 34 -7.815 19.234 3.536 1.00 0.00 O ATOM 467 CB LYS A 34 -9.998 17.060 4.986 1.00 0.00 C ATOM 468 CG LYS A 34 -9.270 15.796 5.404 1.00 0.00 C ATOM 469 CD LYS A 34 -9.809 15.252 6.718 1.00 0.00 C ATOM 470 CE LYS A 34 -11.265 14.835 6.595 1.00 0.00 C ATOM 471 NZ LYS A 34 -11.793 14.278 7.871 1.00 0.00 N ATOM 0 H LYS A 34 -10.178 15.705 2.944 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.186 18.480 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.821 17.832 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.070 16.862 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.375 15.040 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.205 16.005 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.210 14.397 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.712 16.011 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.865 15.695 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.364 14.090 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.789 14.006 7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.237 13.442 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.723 14.997 8.619 1.00 0.00 H new ATOM 485 N PHE A 35 -7.215 17.074 3.734 1.00 0.00 N ATOM 486 CA PHE A 35 -5.784 17.362 3.769 1.00 0.00 C ATOM 487 C PHE A 35 -5.338 17.978 2.453 1.00 0.00 C ATOM 488 O PHE A 35 -4.653 19.001 2.426 1.00 0.00 O ATOM 489 CB PHE A 35 -5.008 16.075 4.033 1.00 0.00 C ATOM 490 CG PHE A 35 -3.624 16.305 4.565 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.430 16.941 5.780 1.00 0.00 C ATOM 492 CD2 PHE A 35 -2.518 15.899 3.844 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.156 17.169 6.259 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.244 16.121 4.320 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.063 16.758 5.528 1.00 0.00 C ATOM 0 H PHE A 35 -7.447 16.083 3.801 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.585 18.073 4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.565 15.465 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.942 15.504 3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.284 17.262 6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.653 15.401 2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.016 17.669 7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.388 15.796 3.747 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.065 16.935 5.902 1.00 0.00 H new ATOM 505 N LEU A 36 -5.744 17.345 1.362 1.00 0.00 N ATOM 506 CA LEU A 36 -5.407 17.821 0.024 1.00 0.00 C ATOM 507 C LEU A 36 -5.964 19.225 -0.178 1.00 0.00 C ATOM 508 O LEU A 36 -5.325 20.076 -0.794 1.00 0.00 O ATOM 509 CB LEU A 36 -5.962 16.861 -1.036 1.00 0.00 C ATOM 510 CG LEU A 36 -5.384 17.006 -2.447 1.00 0.00 C ATOM 511 CD1 LEU A 36 -5.777 18.336 -3.075 1.00 0.00 C ATOM 512 CD2 LEU A 36 -3.870 16.853 -2.415 1.00 0.00 C ATOM 0 H LEU A 36 -6.310 16.496 1.375 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.323 17.856 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.788 15.839 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.042 16.999 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.804 16.213 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.350 18.406 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.863 18.402 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.399 19.154 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.472 16.958 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.440 17.622 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.612 15.869 -2.024 1.00 0.00 H new ATOM 524 N GLU A 37 -7.156 19.463 0.364 1.00 0.00 N ATOM 525 CA GLU A 37 -7.798 20.768 0.254 1.00 0.00 C ATOM 526 C GLU A 37 -6.943 21.848 0.909 1.00 0.00 C ATOM 527 O GLU A 37 -6.589 22.844 0.275 1.00 0.00 O ATOM 528 CB GLU A 37 -9.183 20.733 0.908 1.00 0.00 C ATOM 529 CG GLU A 37 -9.926 22.057 0.836 1.00 0.00 C ATOM 530 CD GLU A 37 -11.300 21.990 1.478 1.00 0.00 C ATOM 531 OE1 GLU A 37 -11.674 20.906 1.975 1.00 0.00 O ATOM 532 OE2 GLU A 37 -12.003 23.023 1.484 1.00 0.00 O ATOM 0 H GLU A 37 -7.695 18.770 0.883 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.908 21.006 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.784 19.963 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.074 20.444 1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.335 22.828 1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.030 22.355 -0.207 1.00 0.00 H new ATOM 539 N GLY A 38 -6.611 21.643 2.179 1.00 0.00 N ATOM 540 CA GLY A 38 -5.796 22.610 2.899 1.00 0.00 C ATOM 541 C GLY A 38 -4.452 22.831 2.233 1.00 0.00 C ATOM 542 O GLY A 38 -4.091 23.961 1.889 1.00 0.00 O ATOM 0 H GLY A 38 -6.890 20.827 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.330 23.558 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.641 22.264 3.921 1.00 0.00 H new ATOM 546 N ALA A 39 -3.711 21.747 2.044 1.00 0.00 N ATOM 547 CA ALA A 39 -2.407 21.820 1.407 1.00 0.00 C ATOM 548 C ALA A 39 -2.520 22.476 0.043 1.00 0.00 C ATOM 549 O ALA A 39 -1.765 23.387 -0.292 1.00 0.00 O ATOM 550 CB ALA A 39 -1.815 20.432 1.268 1.00 0.00 C ATOM 0 H ALA A 39 -3.993 20.807 2.324 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.749 22.424 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.838 20.499 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.705 19.983 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.475 19.814 0.659 1.00 0.00 H new ATOM 556 N ALA A 40 -3.484 22.016 -0.735 1.00 0.00 N ATOM 557 CA ALA A 40 -3.704 22.570 -2.058 1.00 0.00 C ATOM 558 C ALA A 40 -4.275 23.973 -1.961 1.00 0.00 C ATOM 559 O ALA A 40 -4.236 24.737 -2.928 1.00 0.00 O ATOM 560 CB ALA A 40 -4.603 21.654 -2.860 1.00 0.00 C ATOM 0 H ALA A 40 -4.123 21.265 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.749 22.643 -2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.763 22.078 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.133 20.675 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.562 21.549 -2.352 1.00 0.00 H new ATOM 566 N ARG A 41 -4.775 24.326 -0.781 1.00 0.00 N ATOM 567 CA ARG A 41 -5.309 25.656 -0.565 1.00 0.00 C ATOM 568 C ARG A 41 -4.165 26.618 -0.279 1.00 0.00 C ATOM 569 O ARG A 41 -4.245 27.810 -0.577 1.00 0.00 O ATOM 570 CB ARG A 41 -6.307 25.666 0.595 1.00 0.00 C ATOM 571 CG ARG A 41 -6.910 27.035 0.882 1.00 0.00 C ATOM 572 CD ARG A 41 -7.806 27.510 -0.252 1.00 0.00 C ATOM 573 NE ARG A 41 -7.058 27.780 -1.478 1.00 0.00 N ATOM 574 CZ ARG A 41 -7.628 28.024 -2.655 1.00 0.00 C ATOM 575 NH1 ARG A 41 -8.950 28.052 -2.767 1.00 0.00 N ATOM 576 NH2 ARG A 41 -6.873 28.242 -3.723 1.00 0.00 N ATOM 0 H ARG A 41 -4.819 23.711 0.032 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.837 25.971 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.112 24.965 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.807 25.305 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.487 26.991 1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.110 27.758 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.565 26.754 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.330 28.414 0.057 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.039 27.781 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.535 27.886 -1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.381 28.240 -3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.856 28.222 -3.642 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.309 28.429 -4.626 1.00 0.00 H new ATOM 590 N GLN A 42 -3.092 26.076 0.290 1.00 0.00 N ATOM 591 CA GLN A 42 -1.910 26.855 0.607 1.00 0.00 C ATOM 592 C GLN A 42 -0.810 26.622 -0.431 1.00 0.00 C ATOM 593 O GLN A 42 -0.191 25.559 -0.462 1.00 0.00 O ATOM 594 CB GLN A 42 -1.388 26.486 1.988 1.00 0.00 C ATOM 595 CG GLN A 42 -2.252 27.000 3.128 1.00 0.00 C ATOM 596 CD GLN A 42 -2.409 28.508 3.101 1.00 0.00 C ATOM 597 OE1 GLN A 42 -1.427 29.247 3.157 1.00 0.00 O ATOM 598 NE2 GLN A 42 -3.651 28.972 3.020 1.00 0.00 N ATOM 0 H GLN A 42 -3.022 25.090 0.541 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.189 27.909 0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.315 25.401 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.379 26.882 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.236 26.534 3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.810 26.701 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.436 28.322 2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.820 29.978 3.002 1.00 0.00 H new ATOM 607 N PRO A 43 -0.559 27.612 -1.304 1.00 0.00 N ATOM 608 CA PRO A 43 0.461 27.509 -2.351 1.00 0.00 C ATOM 609 C PRO A 43 1.792 26.924 -1.868 1.00 0.00 C ATOM 610 O PRO A 43 2.572 26.417 -2.669 1.00 0.00 O ATOM 611 CB PRO A 43 0.673 28.958 -2.813 1.00 0.00 C ATOM 612 CG PRO A 43 -0.269 29.813 -2.025 1.00 0.00 C ATOM 613 CD PRO A 43 -1.259 28.902 -1.358 1.00 0.00 C ATOM 0 HA PRO A 43 0.127 26.829 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.705 29.268 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.479 29.054 -3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.274 30.397 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.780 30.522 -2.677 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.523 29.257 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.186 28.832 -1.927 1.00 0.00 H new ATOM 621 N ASP A 44 2.064 27.007 -0.571 1.00 0.00 N ATOM 622 CA ASP A 44 3.324 26.498 -0.027 1.00 0.00 C ATOM 623 C ASP A 44 3.284 24.988 0.231 1.00 0.00 C ATOM 624 O ASP A 44 4.301 24.392 0.583 1.00 0.00 O ATOM 625 CB ASP A 44 3.667 27.230 1.272 1.00 0.00 C ATOM 626 CG ASP A 44 4.991 26.781 1.859 1.00 0.00 C ATOM 627 OD1 ASP A 44 6.025 26.933 1.174 1.00 0.00 O ATOM 628 OD2 ASP A 44 4.995 26.276 3.002 1.00 0.00 O ATOM 0 H ASP A 44 1.437 27.418 0.121 1.00 0.00 H new ATOM 0 HA ASP A 44 4.093 26.683 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.702 28.303 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.874 27.061 2.001 1.00 0.00 H new ATOM 633 N LEU A 45 2.114 24.376 0.081 1.00 0.00 N ATOM 634 CA LEU A 45 1.970 22.941 0.328 1.00 0.00 C ATOM 635 C LEU A 45 1.774 22.148 -0.970 1.00 0.00 C ATOM 636 O LEU A 45 1.311 21.004 -0.948 1.00 0.00 O ATOM 637 CB LEU A 45 0.814 22.699 1.306 1.00 0.00 C ATOM 638 CG LEU A 45 1.042 23.249 2.725 1.00 0.00 C ATOM 639 CD1 LEU A 45 1.302 24.747 2.690 1.00 0.00 C ATOM 640 CD2 LEU A 45 -0.146 22.947 3.626 1.00 0.00 C ATOM 0 H LEU A 45 1.256 24.845 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 45 2.896 22.579 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.090 23.151 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.632 21.626 1.372 1.00 0.00 H new ATOM 0 HG LEU A 45 1.921 22.751 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.460 25.113 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.189 24.948 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.443 25.255 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.042 23.347 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.043 23.409 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.290 21.868 3.689 1.00 0.00 H new ATOM 652 N ILE A 46 2.147 22.740 -2.105 1.00 0.00 N ATOM 653 CA ILE A 46 2.020 22.044 -3.384 1.00 0.00 C ATOM 654 C ILE A 46 2.742 20.704 -3.326 1.00 0.00 C ATOM 655 O ILE A 46 2.204 19.688 -3.748 1.00 0.00 O ATOM 656 CB ILE A 46 2.586 22.847 -4.564 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.049 24.276 -4.553 1.00 0.00 C ATOM 658 CG2 ILE A 46 2.244 22.160 -5.878 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.598 25.140 -5.667 1.00 0.00 C ATOM 0 H ILE A 46 2.533 23.682 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 46 0.952 21.907 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 46 3.670 22.891 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.962 24.247 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.289 24.738 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.650 22.738 -6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.675 21.159 -5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.161 22.090 -5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.172 26.141 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.683 25.200 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.335 24.702 -6.630 1.00 0.00 H new ATOM 671 N PRO A 47 3.976 20.670 -2.788 1.00 0.00 N ATOM 672 CA PRO A 47 4.731 19.427 -2.674 1.00 0.00 C ATOM 673 C PRO A 47 4.064 18.496 -1.675 1.00 0.00 C ATOM 674 O PRO A 47 4.259 17.274 -1.705 1.00 0.00 O ATOM 675 CB PRO A 47 6.117 19.867 -2.180 1.00 0.00 C ATOM 676 CG PRO A 47 6.149 21.350 -2.356 1.00 0.00 C ATOM 677 CD PRO A 47 4.724 21.811 -2.239 1.00 0.00 C ATOM 0 HA PRO A 47 4.787 18.878 -3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.267 19.592 -1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.909 19.386 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.775 21.820 -1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.568 21.619 -3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.448 22.018 -1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.545 22.725 -2.806 1.00 0.00 H new ATOM 685 N LEU A 48 3.246 19.088 -0.808 1.00 0.00 N ATOM 686 CA LEU A 48 2.506 18.324 0.171 1.00 0.00 C ATOM 687 C LEU A 48 1.459 17.527 -0.581 1.00 0.00 C ATOM 688 O LEU A 48 1.202 16.366 -0.284 1.00 0.00 O ATOM 689 CB LEU A 48 1.852 19.259 1.193 1.00 0.00 C ATOM 690 CG LEU A 48 1.240 18.565 2.408 1.00 0.00 C ATOM 691 CD1 LEU A 48 2.292 17.744 3.137 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.625 19.591 3.342 1.00 0.00 C ATOM 0 H LEU A 48 3.085 20.094 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 48 3.167 17.656 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.600 19.972 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.073 19.833 0.691 1.00 0.00 H new ATOM 0 HG LEU A 48 0.455 17.891 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.839 17.256 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.695 16.988 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.097 18.398 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.192 19.084 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.395 20.285 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.155 20.141 2.815 1.00 0.00 H new ATOM 704 N LEU A 49 0.891 18.178 -1.597 1.00 0.00 N ATOM 705 CA LEU A 49 -0.114 17.575 -2.468 1.00 0.00 C ATOM 706 C LEU A 49 0.274 16.161 -2.880 1.00 0.00 C ATOM 707 O LEU A 49 -0.424 15.191 -2.577 1.00 0.00 O ATOM 708 CB LEU A 49 -0.270 18.440 -3.722 1.00 0.00 C ATOM 709 CG LEU A 49 -0.721 19.872 -3.458 1.00 0.00 C ATOM 710 CD1 LEU A 49 -1.005 20.597 -4.766 1.00 0.00 C ATOM 711 CD2 LEU A 49 -1.942 19.882 -2.556 1.00 0.00 C ATOM 0 H LEU A 49 1.117 19.143 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.053 17.520 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.683 18.466 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.990 17.964 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 49 0.085 20.401 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.325 21.617 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.100 20.619 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.793 20.074 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.253 20.911 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.754 19.336 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.697 19.406 -1.607 1.00 0.00 H new ATOM 723 N ARG A 50 1.383 16.059 -3.595 1.00 0.00 N ATOM 724 CA ARG A 50 1.873 14.785 -4.074 1.00 0.00 C ATOM 725 C ARG A 50 2.329 13.912 -2.912 1.00 0.00 C ATOM 726 O ARG A 50 1.986 12.729 -2.833 1.00 0.00 O ATOM 727 CB ARG A 50 3.023 15.030 -5.046 1.00 0.00 C ATOM 728 CG ARG A 50 2.616 15.824 -6.276 1.00 0.00 C ATOM 729 CD ARG A 50 1.711 15.014 -7.189 1.00 0.00 C ATOM 730 NE ARG A 50 2.420 13.892 -7.800 1.00 0.00 N ATOM 731 CZ ARG A 50 1.857 13.024 -8.639 1.00 0.00 C ATOM 732 NH1 ARG A 50 0.571 13.127 -8.948 1.00 0.00 N ATOM 733 NH2 ARG A 50 2.584 12.049 -9.166 1.00 0.00 N ATOM 0 H ARG A 50 1.964 16.856 -3.857 1.00 0.00 H new ATOM 0 HA ARG A 50 1.069 14.258 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.820 15.562 -4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.433 14.070 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.103 16.735 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.507 16.130 -6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.861 14.640 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.311 15.660 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 50 3.406 13.766 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.007 13.874 -8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.146 12.459 -9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.572 11.965 -8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.155 11.383 -9.809 1.00 0.00 H new ATOM 747 N THR A 51 3.095 14.509 -2.003 1.00 0.00 N ATOM 748 CA THR A 51 3.598 13.792 -0.838 1.00 0.00 C ATOM 749 C THR A 51 2.454 13.172 -0.051 1.00 0.00 C ATOM 750 O THR A 51 2.515 12.009 0.348 1.00 0.00 O ATOM 751 CB THR A 51 4.384 14.739 0.066 1.00 0.00 C ATOM 752 OG1 THR A 51 5.406 15.389 -0.665 1.00 0.00 O ATOM 753 CG2 THR A 51 5.027 14.039 1.245 1.00 0.00 C ATOM 0 H THR A 51 3.380 15.487 -2.052 1.00 0.00 H new ATOM 0 HA THR A 51 4.256 12.997 -1.188 1.00 0.00 H new ATOM 0 HB THR A 51 3.656 15.456 0.446 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.195 16.343 -0.746 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.570 14.767 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.255 13.567 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.719 13.278 0.883 1.00 0.00 H new ATOM 761 N GLN A 52 1.410 13.961 0.173 1.00 0.00 N ATOM 762 CA GLN A 52 0.255 13.494 0.921 1.00 0.00 C ATOM 763 C GLN A 52 -0.526 12.465 0.120 1.00 0.00 C ATOM 764 O GLN A 52 -1.057 11.503 0.670 1.00 0.00 O ATOM 765 CB GLN A 52 -0.666 14.655 1.292 1.00 0.00 C ATOM 766 CG GLN A 52 -1.384 15.276 0.106 1.00 0.00 C ATOM 767 CD GLN A 52 -2.425 16.286 0.531 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.496 15.923 1.015 1.00 0.00 O ATOM 769 NE2 GLN A 52 -2.105 17.561 0.375 1.00 0.00 N ATOM 0 H GLN A 52 1.342 14.925 -0.153 1.00 0.00 H new ATOM 0 HA GLN A 52 0.624 13.031 1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.408 14.303 2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.079 15.425 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.655 15.760 -0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.861 14.490 -0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.205 17.815 -0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.759 18.290 0.661 1.00 0.00 H new ATOM 778 N PHE A 53 -0.590 12.664 -1.185 1.00 0.00 N ATOM 779 CA PHE A 53 -1.308 11.732 -2.042 1.00 0.00 C ATOM 780 C PHE A 53 -0.751 10.324 -1.853 1.00 0.00 C ATOM 781 O PHE A 53 -1.474 9.398 -1.479 1.00 0.00 O ATOM 782 CB PHE A 53 -1.186 12.159 -3.505 1.00 0.00 C ATOM 783 CG PHE A 53 -2.037 11.347 -4.439 1.00 0.00 C ATOM 784 CD1 PHE A 53 -1.751 10.013 -4.679 1.00 0.00 C ATOM 785 CD2 PHE A 53 -3.136 11.915 -5.064 1.00 0.00 C ATOM 786 CE1 PHE A 53 -2.543 9.262 -5.526 1.00 0.00 C ATOM 787 CE2 PHE A 53 -3.931 11.169 -5.912 1.00 0.00 C ATOM 788 CZ PHE A 53 -3.634 9.841 -6.143 1.00 0.00 C ATOM 0 H PHE A 53 -0.160 13.451 -1.671 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.363 11.736 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.464 13.209 -3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.144 12.078 -3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.899 9.555 -4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.374 12.953 -4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.309 8.223 -5.705 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.784 11.624 -6.394 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.254 9.256 -6.806 1.00 0.00 H new ATOM 798 N PHE A 54 0.550 10.187 -2.090 1.00 0.00 N ATOM 799 CA PHE A 54 1.229 8.903 -1.950 1.00 0.00 C ATOM 800 C PHE A 54 1.194 8.384 -0.510 1.00 0.00 C ATOM 801 O PHE A 54 0.997 7.191 -0.286 1.00 0.00 O ATOM 802 CB PHE A 54 2.683 9.029 -2.418 1.00 0.00 C ATOM 803 CG PHE A 54 2.809 9.430 -3.860 1.00 0.00 C ATOM 804 CD1 PHE A 54 2.406 8.569 -4.869 1.00 0.00 C ATOM 805 CD2 PHE A 54 3.308 10.674 -4.205 1.00 0.00 C ATOM 806 CE1 PHE A 54 2.499 8.944 -6.194 1.00 0.00 C ATOM 807 CE2 PHE A 54 3.407 11.052 -5.530 1.00 0.00 C ATOM 808 CZ PHE A 54 3.002 10.187 -6.525 1.00 0.00 C ATOM 0 H PHE A 54 1.157 10.953 -2.381 1.00 0.00 H new ATOM 0 HA PHE A 54 0.697 8.183 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.195 9.764 -1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.190 8.076 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.015 7.595 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.623 11.357 -3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.179 8.266 -6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.801 12.024 -5.787 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.078 10.481 -7.561 1.00 0.00 H new ATOM 818 N ILE A 55 1.403 9.271 0.463 1.00 0.00 N ATOM 819 CA ILE A 55 1.414 8.857 1.868 1.00 0.00 C ATOM 820 C ILE A 55 0.056 8.307 2.306 1.00 0.00 C ATOM 821 O ILE A 55 -0.026 7.230 2.889 1.00 0.00 O ATOM 822 CB ILE A 55 1.830 10.006 2.824 1.00 0.00 C ATOM 823 CG1 ILE A 55 2.171 9.451 4.206 1.00 0.00 C ATOM 824 CG2 ILE A 55 0.734 11.044 2.945 1.00 0.00 C ATOM 825 CD1 ILE A 55 3.371 8.530 4.212 1.00 0.00 C ATOM 0 H ILE A 55 1.565 10.266 0.309 1.00 0.00 H new ATOM 0 HA ILE A 55 2.161 8.067 1.935 1.00 0.00 H new ATOM 0 HB ILE A 55 2.712 10.486 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.359 10.282 4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.307 8.911 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.056 11.836 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.525 11.468 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.169 10.576 3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.552 8.175 5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.179 7.679 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.247 9.071 3.855 1.00 0.00 H new ATOM 837 N VAL A 56 -1.009 9.052 2.028 1.00 0.00 N ATOM 838 CA VAL A 56 -2.349 8.633 2.416 1.00 0.00 C ATOM 839 C VAL A 56 -2.784 7.372 1.680 1.00 0.00 C ATOM 840 O VAL A 56 -3.364 6.471 2.280 1.00 0.00 O ATOM 841 CB VAL A 56 -3.381 9.753 2.167 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.774 9.323 2.611 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.960 11.025 2.887 1.00 0.00 C ATOM 0 H VAL A 56 -0.970 9.945 1.537 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.309 8.415 3.483 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.417 9.952 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.481 10.131 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.078 8.438 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.761 9.091 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.696 11.808 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.895 10.832 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.987 11.348 2.516 1.00 0.00 H new ATOM 853 N MET A 57 -2.506 7.304 0.384 1.00 0.00 N ATOM 854 CA MET A 57 -2.884 6.135 -0.398 1.00 0.00 C ATOM 855 C MET A 57 -2.007 4.950 -0.033 1.00 0.00 C ATOM 856 O MET A 57 -2.477 3.819 0.082 1.00 0.00 O ATOM 857 CB MET A 57 -2.777 6.434 -1.895 1.00 0.00 C ATOM 858 CG MET A 57 -3.197 5.273 -2.781 1.00 0.00 C ATOM 859 SD MET A 57 -3.170 5.692 -4.534 1.00 0.00 S ATOM 860 CE MET A 57 -4.414 6.979 -4.592 1.00 0.00 C ATOM 0 H MET A 57 -2.026 8.035 -0.142 1.00 0.00 H new ATOM 0 HA MET A 57 -3.920 5.886 -0.168 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.396 7.300 -2.129 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.748 6.705 -2.130 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.533 4.427 -2.603 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.202 4.954 -2.503 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.591 7.268 -5.628 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.341 6.609 -4.155 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.068 7.845 -4.028 1.00 0.00 H new ATOM 870 N GLY A 58 -0.728 5.229 0.146 1.00 0.00 N ATOM 871 CA GLY A 58 0.229 4.193 0.491 1.00 0.00 C ATOM 872 C GLY A 58 0.032 3.633 1.887 1.00 0.00 C ATOM 873 O GLY A 58 0.083 2.421 2.081 1.00 0.00 O ATOM 0 H GLY A 58 -0.328 6.163 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.152 3.381 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.238 4.598 0.409 1.00 0.00 H new ATOM 877 N LEU A 59 -0.190 4.507 2.867 1.00 0.00 N ATOM 878 CA LEU A 59 -0.391 4.057 4.238 1.00 0.00 C ATOM 879 C LEU A 59 -1.653 3.209 4.326 1.00 0.00 C ATOM 880 O LEU A 59 -1.678 2.175 4.995 1.00 0.00 O ATOM 881 CB LEU A 59 -0.480 5.252 5.192 1.00 0.00 C ATOM 882 CG LEU A 59 0.815 6.054 5.363 1.00 0.00 C ATOM 883 CD1 LEU A 59 0.588 7.238 6.289 1.00 0.00 C ATOM 884 CD2 LEU A 59 1.934 5.172 5.898 1.00 0.00 C ATOM 0 H LEU A 59 -0.234 5.518 2.738 1.00 0.00 H new ATOM 0 HA LEU A 59 0.464 3.449 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.259 5.924 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.796 4.891 6.171 1.00 0.00 H new ATOM 0 HG LEU A 59 1.114 6.428 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.517 7.797 6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.178 7.888 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.262 6.879 7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.842 5.764 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.644 4.764 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.118 4.355 5.201 1.00 0.00 H new ATOM 896 N VAL A 60 -2.688 3.641 3.618 1.00 0.00 N ATOM 897 CA VAL A 60 -3.953 2.919 3.586 1.00 0.00 C ATOM 898 C VAL A 60 -3.809 1.626 2.784 1.00 0.00 C ATOM 899 O VAL A 60 -4.321 0.580 3.179 1.00 0.00 O ATOM 900 CB VAL A 60 -5.070 3.794 2.974 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.394 3.047 2.919 1.00 0.00 C ATOM 902 CG2 VAL A 60 -5.223 5.085 3.764 1.00 0.00 C ATOM 0 H VAL A 60 -2.676 4.492 3.056 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.227 2.673 4.612 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.781 4.037 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.158 3.691 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.282 2.152 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.693 2.761 3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.013 5.691 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.481 4.851 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.285 5.639 3.741 1.00 0.00 H new ATOM 912 N ASP A 61 -3.095 1.707 1.663 1.00 0.00 N ATOM 913 CA ASP A 61 -2.870 0.550 0.807 1.00 0.00 C ATOM 914 C ASP A 61 -1.735 -0.326 1.332 1.00 0.00 C ATOM 915 O ASP A 61 -1.519 -1.441 0.848 1.00 0.00 O ATOM 916 CB ASP A 61 -2.563 1.012 -0.616 1.00 0.00 C ATOM 917 CG ASP A 61 -3.788 1.569 -1.314 1.00 0.00 C ATOM 918 OD1 ASP A 61 -4.770 0.815 -1.479 1.00 0.00 O ATOM 919 OD2 ASP A 61 -3.769 2.758 -1.691 1.00 0.00 O ATOM 0 H ASP A 61 -2.662 2.567 1.327 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.779 -0.052 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.784 1.774 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.169 0.174 -1.191 1.00 0.00 H new ATOM 924 N ALA A 62 -1.020 0.161 2.334 1.00 0.00 N ATOM 925 CA ALA A 62 0.061 -0.610 2.914 1.00 0.00 C ATOM 926 C ALA A 62 -0.500 -1.848 3.605 1.00 0.00 C ATOM 927 O ALA A 62 0.171 -2.871 3.709 1.00 0.00 O ATOM 928 CB ALA A 62 0.857 0.236 3.895 1.00 0.00 C ATOM 0 H ALA A 62 -1.168 1.077 2.757 1.00 0.00 H new ATOM 0 HA ALA A 62 0.735 -0.926 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.664 -0.361 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.278 1.097 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.201 0.580 4.695 1.00 0.00 H new ATOM 934 N ILE A 63 -1.745 -1.751 4.064 1.00 0.00 N ATOM 935 CA ILE A 63 -2.393 -2.866 4.736 1.00 0.00 C ATOM 936 C ILE A 63 -2.528 -4.064 3.794 1.00 0.00 C ATOM 937 O ILE A 63 -1.988 -5.132 4.088 1.00 0.00 O ATOM 938 CB ILE A 63 -3.756 -2.456 5.342 1.00 0.00 C ATOM 939 CG1 ILE A 63 -3.530 -1.445 6.466 1.00 0.00 C ATOM 940 CG2 ILE A 63 -4.510 -3.672 5.864 1.00 0.00 C ATOM 941 CD1 ILE A 63 -4.812 -0.938 7.091 1.00 0.00 C ATOM 0 H ILE A 63 -2.321 -0.913 3.982 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.757 -3.168 5.569 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.363 -1.999 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.916 -1.906 7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.967 -0.598 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.464 -3.355 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.688 -4.369 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.918 -4.163 6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.575 -0.225 7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.419 -0.448 6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.367 -1.776 7.514 1.00 0.00 H new ATOM 953 N PRO A 64 -3.229 -3.938 2.643 1.00 0.00 N ATOM 954 CA PRO A 64 -3.355 -5.050 1.708 1.00 0.00 C ATOM 955 C PRO A 64 -2.022 -5.353 1.051 1.00 0.00 C ATOM 956 O PRO A 64 -1.755 -6.482 0.653 1.00 0.00 O ATOM 957 CB PRO A 64 -4.374 -4.563 0.669 1.00 0.00 C ATOM 958 CG PRO A 64 -4.995 -3.353 1.271 1.00 0.00 C ATOM 959 CD PRO A 64 -3.938 -2.748 2.143 1.00 0.00 C ATOM 0 HA PRO A 64 -3.670 -5.971 2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.889 -4.327 -0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.122 -5.328 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.315 -2.652 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.880 -3.614 1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.278 -2.086 1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.367 -2.159 2.954 1.00 0.00 H new ATOM 967 N MET A 65 -1.174 -4.338 0.968 1.00 0.00 N ATOM 968 CA MET A 65 0.143 -4.508 0.387 1.00 0.00 C ATOM 969 C MET A 65 0.996 -5.370 1.306 1.00 0.00 C ATOM 970 O MET A 65 1.849 -6.132 0.853 1.00 0.00 O ATOM 971 CB MET A 65 0.798 -3.146 0.179 1.00 0.00 C ATOM 972 CG MET A 65 2.207 -3.226 -0.371 1.00 0.00 C ATOM 973 SD MET A 65 2.291 -4.076 -1.959 1.00 0.00 S ATOM 974 CE MET A 65 4.059 -4.080 -2.248 1.00 0.00 C ATOM 0 H MET A 65 -1.376 -3.393 1.295 1.00 0.00 H new ATOM 0 HA MET A 65 0.052 -5.002 -0.580 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.184 -2.558 -0.503 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.818 -2.613 1.130 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.606 -2.218 -0.482 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.843 -3.743 0.347 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.272 -4.574 -3.196 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.424 -3.054 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.558 -4.615 -1.440 1.00 0.00 H new ATOM 984 N ILE A 66 0.734 -5.254 2.605 1.00 0.00 N ATOM 985 CA ILE A 66 1.452 -6.025 3.609 1.00 0.00 C ATOM 986 C ILE A 66 0.895 -7.443 3.671 1.00 0.00 C ATOM 987 O ILE A 66 1.649 -8.413 3.702 1.00 0.00 O ATOM 988 CB ILE A 66 1.368 -5.341 5.000 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.271 -4.105 5.033 1.00 0.00 C ATOM 990 CG2 ILE A 66 1.752 -6.292 6.131 1.00 0.00 C ATOM 991 CD1 ILE A 66 2.159 -3.309 6.315 1.00 0.00 C ATOM 0 H ILE A 66 0.024 -4.628 2.986 1.00 0.00 H new ATOM 0 HA ILE A 66 2.503 -6.072 3.325 1.00 0.00 H new ATOM 0 HB ILE A 66 0.331 -5.044 5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.306 -4.418 4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.021 -3.460 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.679 -5.771 7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.077 -7.148 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.775 -6.638 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.826 -2.448 6.268 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.132 -2.966 6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.438 -3.939 7.160 1.00 0.00 H new ATOM 1003 N ALA A 67 -0.431 -7.556 3.672 1.00 0.00 N ATOM 1004 CA ALA A 67 -1.078 -8.857 3.714 1.00 0.00 C ATOM 1005 C ALA A 67 -0.817 -9.617 2.426 1.00 0.00 C ATOM 1006 O ALA A 67 -0.329 -10.745 2.440 1.00 0.00 O ATOM 1007 CB ALA A 67 -2.571 -8.707 3.959 1.00 0.00 C ATOM 0 H ALA A 67 -1.073 -6.764 3.644 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.656 -9.427 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.036 -9.692 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.735 -8.202 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.014 -8.119 3.155 1.00 0.00 H new ATOM 1013 N VAL A 68 -1.118 -8.981 1.306 1.00 0.00 N ATOM 1014 CA VAL A 68 -0.883 -9.595 0.015 1.00 0.00 C ATOM 1015 C VAL A 68 0.612 -9.793 -0.183 1.00 0.00 C ATOM 1016 O VAL A 68 1.056 -10.869 -0.574 1.00 0.00 O ATOM 1017 CB VAL A 68 -1.453 -8.739 -1.138 1.00 0.00 C ATOM 1018 CG1 VAL A 68 -1.160 -9.380 -2.488 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -2.952 -8.540 -0.960 1.00 0.00 C ATOM 0 H VAL A 68 -1.523 -8.046 1.267 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.396 -10.557 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.965 -7.765 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.572 -8.758 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.082 -9.472 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.616 -10.369 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.339 -7.935 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.450 -9.510 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.142 -8.033 -0.014 1.00 0.00 H new ATOM 1029 N GLY A 69 1.383 -8.747 0.108 1.00 0.00 N ATOM 1030 CA GLY A 69 2.824 -8.824 -0.032 1.00 0.00 C ATOM 1031 C GLY A 69 3.425 -9.986 0.734 1.00 0.00 C ATOM 1032 O GLY A 69 4.198 -10.761 0.176 1.00 0.00 O ATOM 0 H GLY A 69 1.033 -7.848 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.078 -8.920 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.269 -7.893 0.319 1.00 0.00 H new ATOM 1036 N LEU A 70 3.082 -10.110 2.016 1.00 0.00 N ATOM 1037 CA LEU A 70 3.604 -11.179 2.836 1.00 0.00 C ATOM 1038 C LEU A 70 3.158 -12.523 2.296 1.00 0.00 C ATOM 1039 O LEU A 70 3.933 -13.477 2.236 1.00 0.00 O ATOM 1040 CB LEU A 70 3.133 -10.993 4.275 1.00 0.00 C ATOM 1041 CG LEU A 70 1.654 -11.270 4.565 1.00 0.00 C ATOM 1042 CD1 LEU A 70 1.402 -12.757 4.785 1.00 0.00 C ATOM 1043 CD2 LEU A 70 1.196 -10.479 5.782 1.00 0.00 C ATOM 0 H LEU A 70 2.444 -9.478 2.500 1.00 0.00 H new ATOM 0 HA LEU A 70 4.693 -11.151 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.731 -11.643 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.350 -9.967 4.572 1.00 0.00 H new ATOM 0 HG LEU A 70 1.079 -10.953 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.344 -12.920 4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.690 -13.311 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.992 -13.105 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.143 -10.686 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.789 -10.770 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.327 -9.413 5.594 1.00 0.00 H new ATOM 1055 N GLY A 71 1.898 -12.583 1.906 1.00 0.00 N ATOM 1056 CA GLY A 71 1.342 -13.813 1.374 1.00 0.00 C ATOM 1057 C GLY A 71 2.086 -14.315 0.150 1.00 0.00 C ATOM 1058 O GLY A 71 2.563 -15.448 0.127 1.00 0.00 O ATOM 0 H GLY A 71 1.245 -11.801 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.365 -14.581 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.295 -13.651 1.116 1.00 0.00 H new ATOM 1062 N LEU A 72 2.181 -13.471 -0.871 1.00 0.00 N ATOM 1063 CA LEU A 72 2.860 -13.841 -2.112 1.00 0.00 C ATOM 1064 C LEU A 72 4.370 -13.920 -1.928 1.00 0.00 C ATOM 1065 O LEU A 72 5.048 -14.677 -2.621 1.00 0.00 O ATOM 1066 CB LEU A 72 2.522 -12.852 -3.232 1.00 0.00 C ATOM 1067 CG LEU A 72 2.774 -11.376 -2.926 1.00 0.00 C ATOM 1068 CD1 LEU A 72 4.256 -11.037 -3.010 1.00 0.00 C ATOM 1069 CD2 LEU A 72 1.969 -10.500 -3.876 1.00 0.00 C ATOM 0 H LEU A 72 1.797 -12.526 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 72 2.502 -14.832 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.101 -13.123 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.470 -12.974 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 72 2.449 -11.181 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.401 -9.980 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.808 -11.639 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.621 -11.249 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.156 -9.450 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.267 -10.708 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.907 -10.714 -3.756 1.00 0.00 H new ATOM 1081 N TYR A 73 4.894 -13.141 -0.990 1.00 0.00 N ATOM 1082 CA TYR A 73 6.328 -13.134 -0.732 1.00 0.00 C ATOM 1083 C TYR A 73 6.789 -14.535 -0.373 1.00 0.00 C ATOM 1084 O TYR A 73 7.839 -14.991 -0.813 1.00 0.00 O ATOM 1085 CB TYR A 73 6.671 -12.146 0.388 1.00 0.00 C ATOM 1086 CG TYR A 73 8.155 -11.941 0.572 1.00 0.00 C ATOM 1087 CD1 TYR A 73 8.940 -12.903 1.193 1.00 0.00 C ATOM 1088 CD2 TYR A 73 8.775 -10.793 0.096 1.00 0.00 C ATOM 1089 CE1 TYR A 73 10.305 -12.724 1.337 1.00 0.00 C ATOM 1090 CE2 TYR A 73 10.137 -10.606 0.238 1.00 0.00 C ATOM 1091 CZ TYR A 73 10.897 -11.575 0.858 1.00 0.00 C ATOM 1092 OH TYR A 73 12.254 -11.394 0.999 1.00 0.00 O ATOM 0 H TYR A 73 4.352 -12.510 -0.399 1.00 0.00 H new ATOM 0 HA TYR A 73 6.849 -12.811 -1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.203 -11.186 0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.243 -12.506 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.479 -13.804 1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.183 -10.034 -0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.903 -13.481 1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.603 -9.706 -0.135 1.00 0.00 H new ATOM 0 HH TYR A 73 12.512 -10.534 0.607 1.00 0.00 H new ATOM 1102 N VAL A 74 5.974 -15.223 0.414 1.00 0.00 N ATOM 1103 CA VAL A 74 6.270 -16.590 0.822 1.00 0.00 C ATOM 1104 C VAL A 74 5.606 -17.591 -0.116 1.00 0.00 C ATOM 1105 O VAL A 74 6.118 -18.686 -0.346 1.00 0.00 O ATOM 1106 CB VAL A 74 5.800 -16.860 2.266 1.00 0.00 C ATOM 1107 CG1 VAL A 74 6.189 -18.264 2.710 1.00 0.00 C ATOM 1108 CG2 VAL A 74 6.363 -15.815 3.218 1.00 0.00 C ATOM 0 H VAL A 74 5.098 -14.855 0.785 1.00 0.00 H new ATOM 0 HA VAL A 74 7.352 -16.712 0.775 1.00 0.00 H new ATOM 0 HB VAL A 74 4.712 -16.790 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.847 -18.431 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.726 -18.996 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.273 -18.371 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.020 -16.023 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.452 -15.847 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.021 -14.825 2.915 1.00 0.00 H new ATOM 1118 N MET A 75 4.451 -17.215 -0.648 1.00 0.00 N ATOM 1119 CA MET A 75 3.713 -18.094 -1.542 1.00 0.00 C ATOM 1120 C MET A 75 4.343 -18.168 -2.928 1.00 0.00 C ATOM 1121 O MET A 75 4.985 -19.157 -3.278 1.00 0.00 O ATOM 1122 CB MET A 75 2.263 -17.633 -1.655 1.00 0.00 C ATOM 1123 CG MET A 75 1.416 -17.982 -0.444 1.00 0.00 C ATOM 1124 SD MET A 75 1.380 -19.752 -0.095 1.00 0.00 S ATOM 1125 CE MET A 75 0.547 -20.372 -1.552 1.00 0.00 C ATOM 0 H MET A 75 4.008 -16.312 -0.477 1.00 0.00 H new ATOM 0 HA MET A 75 3.748 -19.095 -1.112 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.245 -16.553 -1.801 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.816 -18.082 -2.542 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.802 -17.453 0.427 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.398 -17.628 -0.606 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.120 -21.352 -1.338 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.249 -19.684 -1.836 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.262 -20.458 -2.371 1.00 0.00 H new ATOM 1135 N PHE A 76 4.145 -17.125 -3.721 1.00 0.00 N ATOM 1136 CA PHE A 76 4.667 -17.093 -5.082 1.00 0.00 C ATOM 1137 C PHE A 76 6.195 -17.118 -5.140 1.00 0.00 C ATOM 1138 O PHE A 76 6.767 -17.599 -6.117 1.00 0.00 O ATOM 1139 CB PHE A 76 4.142 -15.861 -5.822 1.00 0.00 C ATOM 1140 CG PHE A 76 2.664 -15.914 -6.108 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.098 -17.023 -6.715 1.00 0.00 C ATOM 1142 CD2 PHE A 76 1.839 -14.858 -5.761 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.740 -17.077 -6.962 1.00 0.00 C ATOM 1144 CE2 PHE A 76 0.483 -14.905 -6.008 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.068 -16.017 -6.607 1.00 0.00 C ATOM 0 H PHE A 76 3.627 -16.290 -3.447 1.00 0.00 H new ATOM 0 HA PHE A 76 4.314 -18.002 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.357 -14.972 -5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.682 -15.755 -6.763 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.726 -17.855 -6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.264 -13.984 -5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.311 -17.949 -7.433 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.146 -14.072 -5.732 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.130 -16.058 -6.798 1.00 0.00 H new ATOM 1155 N ALA A 77 6.861 -16.589 -4.117 1.00 0.00 N ATOM 1156 CA ALA A 77 8.319 -16.555 -4.113 1.00 0.00 C ATOM 1157 C ALA A 77 8.926 -17.723 -3.347 1.00 0.00 C ATOM 1158 O ALA A 77 9.797 -18.425 -3.860 1.00 0.00 O ATOM 1159 CB ALA A 77 8.822 -15.233 -3.557 1.00 0.00 C ATOM 0 H ALA A 77 6.421 -16.183 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 77 8.642 -16.650 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.912 -15.227 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.452 -14.414 -4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.463 -15.108 -2.535 1.00 0.00 H new ATOM 1165 N VAL A 78 8.477 -17.920 -2.120 1.00 0.00 N ATOM 1166 CA VAL A 78 8.999 -18.999 -1.288 1.00 0.00 C ATOM 1167 C VAL A 78 8.236 -20.306 -1.503 1.00 0.00 C ATOM 1168 O VAL A 78 8.624 -21.347 -0.973 1.00 0.00 O ATOM 1169 CB VAL A 78 8.979 -18.630 0.212 1.00 0.00 C ATOM 1170 CG1 VAL A 78 9.573 -19.751 1.053 1.00 0.00 C ATOM 1171 CG2 VAL A 78 9.725 -17.326 0.450 1.00 0.00 C ATOM 0 H VAL A 78 7.756 -17.352 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 78 10.034 -19.146 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 78 7.941 -18.493 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.548 -19.469 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.992 -20.662 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.605 -19.927 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.701 -17.082 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.760 -17.435 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.249 -16.526 -0.117 1.00 0.00 H new ATOM 1181 N ALA A 79 7.156 -20.258 -2.282 1.00 0.00 N ATOM 1182 CA ALA A 79 6.368 -21.459 -2.558 1.00 0.00 C ATOM 1183 C ALA A 79 5.993 -21.544 -4.035 1.00 0.00 C ATOM 1184 O ALA A 79 4.857 -21.873 -4.380 1.00 0.00 O ATOM 1185 CB ALA A 79 5.120 -21.491 -1.688 1.00 0.00 C ATOM 0 H ALA A 79 6.809 -19.410 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 79 6.982 -22.326 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.546 -22.392 -1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.409 -21.492 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.509 -20.612 -1.895 1.00 0.00 H new TER 1191 ALA A 79