USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 581 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 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -57:sc= 0.0152 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -161:sc=-0.00962 (180deg=-0.612) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0427) USER MOD Single : A 42 GLN : amide:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.591 USER MOD Single : A 52 GLN : amide:sc=-0.00385 X(o=-0.0039,f=-0.0039) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) 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 Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 3 11.280 -29.804 -2.869 1.00 0.00 N ATOM 36 CA ASN A 3 9.792 -29.688 -2.862 1.00 0.00 C ATOM 37 C ASN A 3 9.108 -29.182 -1.543 1.00 0.00 C ATOM 38 O ASN A 3 8.043 -28.568 -1.604 1.00 0.00 O ATOM 39 CB ASN A 3 9.198 -31.027 -3.381 1.00 0.00 C ATOM 40 CG ASN A 3 7.745 -30.940 -3.880 1.00 0.00 C ATOM 41 OD1 ASN A 3 7.473 -30.444 -4.969 1.00 0.00 O ATOM 42 ND2 ASN A 3 6.783 -31.412 -3.111 1.00 0.00 N ATOM 0 HA ASN A 3 9.553 -28.863 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.825 -31.395 -4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.248 -31.765 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.813 -31.365 -3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.010 -31.824 -2.206 1.00 0.00 H new ATOM 49 N LEU A 4 9.747 -29.402 -0.385 1.00 0.00 N ATOM 50 CA LEU A 4 9.358 -28.766 0.908 1.00 0.00 C ATOM 51 C LEU A 4 9.579 -27.219 0.934 1.00 0.00 C ATOM 52 O LEU A 4 8.622 -26.491 1.195 1.00 0.00 O ATOM 53 CB LEU A 4 10.065 -29.469 2.106 1.00 0.00 C ATOM 54 CG LEU A 4 9.744 -30.969 2.362 1.00 0.00 C ATOM 55 CD1 LEU A 4 10.647 -31.524 3.480 1.00 0.00 C ATOM 56 CD2 LEU A 4 8.267 -31.219 2.726 1.00 0.00 C ATOM 0 H LEU A 4 10.551 -30.025 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 4 8.282 -28.908 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.141 -29.378 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.818 -28.915 3.012 1.00 0.00 H new ATOM 0 HG LEU A 4 9.939 -31.489 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.412 -32.575 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.692 -31.429 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.477 -30.962 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.109 -32.285 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.018 -30.669 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.629 -30.880 1.910 1.00 0.00 H new ATOM 68 N ASN A 5 10.792 -26.715 0.621 1.00 0.00 N ATOM 69 CA ASN A 5 11.053 -25.255 0.431 1.00 0.00 C ATOM 70 C ASN A 5 10.212 -24.542 -0.687 1.00 0.00 C ATOM 71 O ASN A 5 9.756 -23.416 -0.473 1.00 0.00 O ATOM 72 CB ASN A 5 12.587 -25.091 0.232 1.00 0.00 C ATOM 73 CG ASN A 5 13.108 -23.650 0.345 1.00 0.00 C ATOM 74 OD1 ASN A 5 13.216 -23.090 1.433 1.00 0.00 O ATOM 75 ND2 ASN A 5 13.438 -23.012 -0.761 1.00 0.00 N ATOM 0 H ASN A 5 11.619 -27.297 0.492 1.00 0.00 H new ATOM 0 HA ASN A 5 10.707 -24.733 1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 5 13.101 -25.706 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.854 -25.482 -0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.783 -22.053 -0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.348 -23.477 -1.664 1.00 0.00 H new ATOM 82 N MET A 6 9.986 -25.192 -1.843 1.00 0.00 N ATOM 83 CA MET A 6 9.059 -24.700 -2.903 1.00 0.00 C ATOM 84 C MET A 6 7.556 -24.640 -2.480 1.00 0.00 C ATOM 85 O MET A 6 6.902 -23.641 -2.785 1.00 0.00 O ATOM 86 CB MET A 6 9.237 -25.537 -4.197 1.00 0.00 C ATOM 87 CG MET A 6 10.608 -25.420 -4.888 1.00 0.00 C ATOM 88 SD MET A 6 10.626 -26.464 -6.358 1.00 0.00 S ATOM 89 CE MET A 6 12.376 -26.384 -6.783 1.00 0.00 C ATOM 0 H MET A 6 10.437 -26.076 -2.078 1.00 0.00 H new ATOM 0 HA MET A 6 9.341 -23.663 -3.087 1.00 0.00 H new ATOM 0 HB2 MET A 6 9.061 -26.585 -3.956 1.00 0.00 H new ATOM 0 HB3 MET A 6 8.466 -25.240 -4.908 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.803 -24.383 -5.162 1.00 0.00 H new ATOM 0 HG3 MET A 6 11.400 -25.723 -4.203 1.00 0.00 H new ATOM 0 HE1 MET A 6 12.561 -26.980 -7.676 1.00 0.00 H new ATOM 0 HE2 MET A 6 12.657 -25.348 -6.973 1.00 0.00 H new ATOM 0 HE3 MET A 6 12.969 -26.775 -5.956 1.00 0.00 H new ATOM 99 N ASP A 7 7.032 -25.652 -1.753 1.00 0.00 N ATOM 100 CA ASP A 7 5.716 -25.583 -1.065 1.00 0.00 C ATOM 101 C ASP A 7 5.606 -24.487 0.041 1.00 0.00 C ATOM 102 O ASP A 7 4.584 -23.806 0.115 1.00 0.00 O ATOM 103 CB ASP A 7 5.372 -26.994 -0.521 1.00 0.00 C ATOM 104 CG ASP A 7 3.919 -27.162 -0.060 1.00 0.00 C ATOM 105 OD1 ASP A 7 2.962 -27.223 -0.829 1.00 0.00 O ATOM 106 OD2 ASP A 7 3.809 -27.210 1.302 1.00 0.00 O ATOM 0 H ASP A 7 7.509 -26.544 -1.624 1.00 0.00 H new ATOM 0 HA ASP A 7 4.980 -25.268 -1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.581 -27.730 -1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.033 -27.218 0.316 1.00 0.00 H new ATOM 112 N LEU A 8 6.645 -24.311 0.876 1.00 0.00 N ATOM 113 CA LEU A 8 6.724 -23.195 1.860 1.00 0.00 C ATOM 114 C LEU A 8 6.692 -21.756 1.241 1.00 0.00 C ATOM 115 O LEU A 8 5.949 -20.904 1.736 1.00 0.00 O ATOM 116 CB LEU A 8 7.950 -23.388 2.801 1.00 0.00 C ATOM 117 CG LEU A 8 7.876 -24.559 3.821 1.00 0.00 C ATOM 118 CD1 LEU A 8 9.266 -24.852 4.415 1.00 0.00 C ATOM 119 CD2 LEU A 8 6.874 -24.290 4.962 1.00 0.00 C ATOM 0 H LEU A 8 7.455 -24.931 0.895 1.00 0.00 H new ATOM 0 HA LEU A 8 5.804 -23.254 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.834 -23.534 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.100 -22.463 3.357 1.00 0.00 H new ATOM 0 HG LEU A 8 7.522 -25.428 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.192 -25.675 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.953 -25.125 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.638 -23.964 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.863 -25.140 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.172 -23.393 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.877 -24.147 4.545 1.00 0.00 H new ATOM 131 N LEU A 9 7.456 -21.503 0.155 1.00 0.00 N ATOM 132 CA LEU A 9 7.424 -20.223 -0.600 1.00 0.00 C ATOM 133 C LEU A 9 6.054 -19.942 -1.297 1.00 0.00 C ATOM 134 O LEU A 9 5.440 -18.907 -1.038 1.00 0.00 O ATOM 135 CB LEU A 9 8.630 -20.212 -1.589 1.00 0.00 C ATOM 136 CG LEU A 9 9.096 -18.815 -2.080 1.00 0.00 C ATOM 137 CD1 LEU A 9 9.834 -18.018 -0.986 1.00 0.00 C ATOM 138 CD2 LEU A 9 10.003 -18.951 -3.316 1.00 0.00 C ATOM 0 H LEU A 9 8.116 -22.181 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 9 7.525 -19.395 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.474 -20.706 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.365 -20.811 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 9 8.194 -18.261 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.137 -17.050 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.170 -17.869 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.717 -18.571 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.320 -17.961 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.880 -19.546 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.453 -19.442 -4.119 1.00 0.00 H new ATOM 150 N TYR A 10 5.572 -20.893 -2.121 1.00 0.00 N ATOM 151 CA TYR A 10 4.156 -21.020 -2.569 1.00 0.00 C ATOM 152 C TYR A 10 3.049 -20.663 -1.533 1.00 0.00 C ATOM 153 O TYR A 10 2.269 -19.741 -1.789 1.00 0.00 O ATOM 154 CB TYR A 10 4.039 -22.487 -3.094 1.00 0.00 C ATOM 155 CG TYR A 10 2.631 -23.052 -3.363 1.00 0.00 C ATOM 156 CD1 TYR A 10 1.922 -22.660 -4.493 1.00 0.00 C ATOM 157 CD2 TYR A 10 2.070 -23.997 -2.493 1.00 0.00 C ATOM 158 CE1 TYR A 10 0.674 -23.222 -4.769 1.00 0.00 C ATOM 159 CE2 TYR A 10 0.814 -24.538 -2.754 1.00 0.00 C ATOM 160 CZ TYR A 10 0.116 -24.148 -3.894 1.00 0.00 C ATOM 161 OH TYR A 10 -1.118 -24.678 -4.159 1.00 0.00 O ATOM 0 H TYR A 10 6.171 -21.621 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 10 3.957 -20.265 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.608 -22.556 -4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.528 -23.140 -2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.338 -21.919 -5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.616 -24.308 -1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.141 -22.937 -5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.382 -25.258 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.772 -23.954 -4.252 1.00 0.00 H new ATOM 171 N MET A 11 2.958 -21.413 -0.413 1.00 0.00 N ATOM 172 CA MET A 11 1.868 -21.249 0.570 1.00 0.00 C ATOM 173 C MET A 11 1.903 -19.854 1.264 1.00 0.00 C ATOM 174 O MET A 11 0.888 -19.159 1.239 1.00 0.00 O ATOM 175 CB MET A 11 1.831 -22.385 1.632 1.00 0.00 C ATOM 176 CG MET A 11 1.350 -23.764 1.145 1.00 0.00 C ATOM 177 SD MET A 11 1.143 -24.882 2.549 1.00 0.00 S ATOM 178 CE MET A 11 -0.557 -24.530 3.039 1.00 0.00 C ATOM 0 H MET A 11 3.630 -22.140 -0.168 1.00 0.00 H new ATOM 0 HA MET A 11 0.947 -21.316 -0.008 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.833 -22.499 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.184 -22.067 2.450 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.406 -23.660 0.611 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.070 -24.181 0.441 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.824 -25.148 3.896 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.648 -23.478 3.308 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.228 -24.751 2.209 1.00 0.00 H new ATOM 188 N ALA A 12 3.064 -19.419 1.805 1.00 0.00 N ATOM 189 CA ALA A 12 3.287 -18.023 2.241 1.00 0.00 C ATOM 190 C ALA A 12 3.021 -16.885 1.205 1.00 0.00 C ATOM 191 O ALA A 12 2.506 -15.842 1.609 1.00 0.00 O ATOM 192 CB ALA A 12 4.715 -17.933 2.813 1.00 0.00 C ATOM 0 H ALA A 12 3.871 -20.026 1.951 1.00 0.00 H new ATOM 0 HA ALA A 12 2.517 -17.824 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.911 -16.913 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.812 -18.614 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.434 -18.208 2.041 1.00 0.00 H new ATOM 198 N ALA A 13 3.315 -17.073 -0.100 1.00 0.00 N ATOM 199 CA ALA A 13 2.933 -16.132 -1.174 1.00 0.00 C ATOM 200 C ALA A 13 1.408 -16.012 -1.396 1.00 0.00 C ATOM 201 O ALA A 13 0.883 -14.948 -1.086 1.00 0.00 O ATOM 202 CB ALA A 13 3.727 -16.502 -2.439 1.00 0.00 C ATOM 0 H ALA A 13 3.827 -17.887 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 13 3.202 -15.120 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.462 -15.820 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.795 -16.424 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.488 -17.524 -2.733 1.00 0.00 H new ATOM 208 N ALA A 14 0.683 -17.056 -1.834 1.00 0.00 N ATOM 209 CA ALA A 14 -0.814 -17.057 -1.833 1.00 0.00 C ATOM 210 C ALA A 14 -1.551 -16.663 -0.509 1.00 0.00 C ATOM 211 O ALA A 14 -2.567 -15.965 -0.582 1.00 0.00 O ATOM 212 CB ALA A 14 -1.301 -18.414 -2.367 1.00 0.00 C ATOM 0 H ALA A 14 1.097 -17.915 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.093 -16.230 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.391 -18.433 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.930 -18.560 -3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.928 -19.212 -1.725 1.00 0.00 H new ATOM 218 N VAL A 15 -1.026 -17.022 0.684 1.00 0.00 N ATOM 219 CA VAL A 15 -1.494 -16.454 1.990 1.00 0.00 C ATOM 220 C VAL A 15 -1.272 -14.900 2.116 1.00 0.00 C ATOM 221 O VAL A 15 -2.236 -14.173 2.372 1.00 0.00 O ATOM 222 CB VAL A 15 -1.002 -17.310 3.204 1.00 0.00 C ATOM 223 CG1 VAL A 15 -1.266 -16.696 4.601 1.00 0.00 C ATOM 224 CG2 VAL A 15 -1.602 -18.740 3.227 1.00 0.00 C ATOM 0 H VAL A 15 -0.274 -17.705 0.780 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.580 -16.540 2.012 1.00 0.00 H new ATOM 0 HB VAL A 15 0.074 -17.337 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.887 -17.368 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.759 -15.734 4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.338 -16.553 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.221 -19.281 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.689 -18.678 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.319 -19.268 2.316 1.00 0.00 H new ATOM 234 N MET A 16 -0.042 -14.394 1.892 1.00 0.00 N ATOM 235 CA MET A 16 0.224 -12.935 1.679 1.00 0.00 C ATOM 236 C MET A 16 -0.567 -12.239 0.512 1.00 0.00 C ATOM 237 O MET A 16 -0.824 -11.037 0.599 1.00 0.00 O ATOM 238 CB MET A 16 1.762 -12.765 1.528 1.00 0.00 C ATOM 239 CG MET A 16 2.287 -11.315 1.582 1.00 0.00 C ATOM 240 SD MET A 16 4.085 -11.297 1.421 1.00 0.00 S ATOM 241 CE MET A 16 4.603 -11.541 3.132 1.00 0.00 C ATOM 0 H MET A 16 0.798 -14.972 1.852 1.00 0.00 H new ATOM 0 HA MET A 16 -0.162 -12.407 2.551 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.251 -13.338 2.316 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.066 -13.206 0.579 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.837 -10.727 0.782 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.994 -10.849 2.523 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.692 -11.551 3.185 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.218 -10.729 3.748 1.00 0.00 H new ATOM 0 HE3 MET A 16 4.213 -12.491 3.498 1.00 0.00 H new ATOM 251 N MET A 17 -0.953 -12.960 -0.555 1.00 0.00 N ATOM 252 CA MET A 17 -1.835 -12.420 -1.639 1.00 0.00 C ATOM 253 C MET A 17 -3.380 -12.472 -1.382 1.00 0.00 C ATOM 254 O MET A 17 -4.117 -11.769 -2.079 1.00 0.00 O ATOM 255 CB MET A 17 -1.472 -13.063 -3.002 1.00 0.00 C ATOM 256 CG MET A 17 0.010 -12.985 -3.433 1.00 0.00 C ATOM 257 SD MET A 17 0.929 -11.735 -2.491 1.00 0.00 S ATOM 258 CE MET A 17 2.636 -12.311 -2.528 1.00 0.00 C ATOM 0 H MET A 17 -0.672 -13.929 -0.703 1.00 0.00 H new ATOM 0 HA MET A 17 -1.620 -11.352 -1.650 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.763 -14.113 -2.971 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.077 -12.588 -3.774 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.479 -13.959 -3.296 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.066 -12.751 -4.496 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.200 -11.830 -1.728 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.658 -13.392 -2.389 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.084 -12.060 -3.489 1.00 0.00 H new ATOM 268 N GLY A 18 -3.877 -13.221 -0.378 1.00 0.00 N ATOM 269 CA GLY A 18 -5.202 -12.942 0.251 1.00 0.00 C ATOM 270 C GLY A 18 -5.253 -11.799 1.298 1.00 0.00 C ATOM 271 O GLY A 18 -6.269 -11.104 1.372 1.00 0.00 O ATOM 0 H GLY A 18 -3.389 -14.024 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.912 -12.708 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.550 -13.857 0.730 1.00 0.00 H new ATOM 275 N LEU A 19 -4.169 -11.583 2.070 1.00 0.00 N ATOM 276 CA LEU A 19 -3.964 -10.376 2.925 1.00 0.00 C ATOM 277 C LEU A 19 -4.408 -8.960 2.377 1.00 0.00 C ATOM 278 O LEU A 19 -5.067 -8.285 3.170 1.00 0.00 O ATOM 279 CB LEU A 19 -2.487 -10.401 3.410 1.00 0.00 C ATOM 280 CG LEU A 19 -2.088 -9.442 4.566 1.00 0.00 C ATOM 281 CD1 LEU A 19 -2.752 -9.813 5.906 1.00 0.00 C ATOM 282 CD2 LEU A 19 -0.557 -9.417 4.730 1.00 0.00 C ATOM 0 H LEU A 19 -3.396 -12.246 2.124 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.680 -10.471 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.255 -11.419 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.850 -10.178 2.554 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.449 -8.451 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.436 -9.109 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.836 -9.772 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.454 -10.822 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.289 -8.742 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.199 -10.421 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.098 -9.071 3.804 1.00 0.00 H new ATOM 294 N PRO A 20 -4.164 -8.464 1.118 1.00 0.00 N ATOM 295 CA PRO A 20 -4.857 -7.265 0.544 1.00 0.00 C ATOM 296 C PRO A 20 -6.399 -7.099 0.705 1.00 0.00 C ATOM 297 O PRO A 20 -6.845 -5.957 0.849 1.00 0.00 O ATOM 298 CB PRO A 20 -4.454 -7.297 -0.939 1.00 0.00 C ATOM 299 CG PRO A 20 -3.854 -8.672 -1.200 1.00 0.00 C ATOM 300 CD PRO A 20 -3.244 -9.070 0.139 1.00 0.00 C ATOM 0 HA PRO A 20 -4.536 -6.400 1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.319 -7.125 -1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.732 -6.511 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.614 -9.385 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.100 -8.636 -1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.191 -10.153 0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.229 -8.688 0.249 1.00 0.00 H new ATOM 308 N ALA A 21 -7.196 -8.191 0.719 1.00 0.00 N ATOM 309 CA ALA A 21 -8.637 -8.126 1.103 1.00 0.00 C ATOM 310 C ALA A 21 -8.984 -7.544 2.516 1.00 0.00 C ATOM 311 O ALA A 21 -10.033 -6.913 2.665 1.00 0.00 O ATOM 312 CB ALA A 21 -9.242 -9.529 0.914 1.00 0.00 C ATOM 0 H ALA A 21 -6.874 -9.127 0.471 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.083 -7.385 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.297 -9.510 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.143 -9.830 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.715 -10.241 1.549 1.00 0.00 H new ATOM 318 N ILE A 22 -8.103 -7.709 3.520 1.00 0.00 N ATOM 319 CA ILE A 22 -8.106 -6.879 4.762 1.00 0.00 C ATOM 320 C ILE A 22 -7.225 -5.592 4.559 1.00 0.00 C ATOM 321 O ILE A 22 -7.732 -4.486 4.745 1.00 0.00 O ATOM 322 CB ILE A 22 -7.708 -7.739 6.019 1.00 0.00 C ATOM 323 CG1 ILE A 22 -8.521 -9.058 6.219 1.00 0.00 C ATOM 324 CG2 ILE A 22 -7.711 -6.927 7.340 1.00 0.00 C ATOM 325 CD1 ILE A 22 -10.046 -8.921 6.390 1.00 0.00 C ATOM 0 H ILE A 22 -7.368 -8.416 3.504 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.118 -6.527 4.963 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.687 -8.036 5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.333 -9.705 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.126 -9.569 7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.428 -7.578 8.168 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.998 -6.106 7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.709 -6.526 7.518 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.488 -9.909 6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.260 -8.310 7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.470 -8.447 5.505 1.00 0.00 H new ATOM 337 N GLY A 23 -5.927 -5.726 4.215 1.00 0.00 N ATOM 338 CA GLY A 23 -4.942 -4.611 4.249 1.00 0.00 C ATOM 339 C GLY A 23 -5.166 -3.408 3.310 1.00 0.00 C ATOM 340 O GLY A 23 -5.355 -2.290 3.791 1.00 0.00 O ATOM 0 H GLY A 23 -5.526 -6.611 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.903 -4.233 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.960 -5.028 4.026 1.00 0.00 H new ATOM 344 N ALA A 24 -5.136 -3.630 1.986 1.00 0.00 N ATOM 345 CA ALA A 24 -5.426 -2.563 0.985 1.00 0.00 C ATOM 346 C ALA A 24 -6.906 -2.088 0.823 1.00 0.00 C ATOM 347 O ALA A 24 -7.142 -0.952 0.402 1.00 0.00 O ATOM 348 CB ALA A 24 -4.844 -3.013 -0.362 1.00 0.00 C ATOM 0 H ALA A 24 -4.915 -4.536 1.573 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.950 -1.665 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.041 -2.251 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.768 -3.157 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.309 -3.951 -0.664 1.00 0.00 H new ATOM 354 N ALA A 25 -7.878 -2.937 1.191 1.00 0.00 N ATOM 355 CA ALA A 25 -9.310 -2.547 1.336 1.00 0.00 C ATOM 356 C ALA A 25 -9.609 -1.564 2.515 1.00 0.00 C ATOM 357 O ALA A 25 -10.229 -0.520 2.294 1.00 0.00 O ATOM 358 CB ALA A 25 -10.146 -3.836 1.433 1.00 0.00 C ATOM 0 H ALA A 25 -7.703 -3.920 1.400 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.587 -1.970 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.200 -3.579 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.007 -4.429 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.824 -4.414 2.299 1.00 0.00 H new ATOM 364 N ILE A 26 -9.099 -1.849 3.735 1.00 0.00 N ATOM 365 CA ILE A 26 -8.909 -0.824 4.815 1.00 0.00 C ATOM 366 C ILE A 26 -8.002 0.396 4.393 1.00 0.00 C ATOM 367 O ILE A 26 -8.261 1.507 4.861 1.00 0.00 O ATOM 368 CB ILE A 26 -8.449 -1.546 6.142 1.00 0.00 C ATOM 369 CG1 ILE A 26 -9.470 -2.587 6.710 1.00 0.00 C ATOM 370 CG2 ILE A 26 -7.998 -0.611 7.295 1.00 0.00 C ATOM 371 CD1 ILE A 26 -10.840 -2.059 7.174 1.00 0.00 C ATOM 0 H ILE A 26 -8.806 -2.787 4.008 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.870 -0.347 5.006 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.568 -2.078 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.643 -3.342 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.001 -3.092 7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.704 -1.211 8.156 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.151 -0.009 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.822 0.045 7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.444 -2.888 7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.698 -1.330 7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.350 -1.584 6.336 1.00 0.00 H new ATOM 383 N GLY A 27 -7.003 0.216 3.495 1.00 0.00 N ATOM 384 CA GLY A 27 -6.279 1.333 2.835 1.00 0.00 C ATOM 385 C GLY A 27 -7.164 2.389 2.140 1.00 0.00 C ATOM 386 O GLY A 27 -7.248 3.513 2.635 1.00 0.00 O ATOM 0 H GLY A 27 -6.676 -0.706 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.666 1.836 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.598 0.913 2.095 1.00 0.00 H new ATOM 390 N ILE A 28 -7.894 2.000 1.077 1.00 0.00 N ATOM 391 CA ILE A 28 -8.978 2.837 0.464 1.00 0.00 C ATOM 392 C ILE A 28 -9.974 3.432 1.530 1.00 0.00 C ATOM 393 O ILE A 28 -9.890 4.625 1.835 1.00 0.00 O ATOM 394 CB ILE A 28 -9.675 2.056 -0.721 1.00 0.00 C ATOM 395 CG1 ILE A 28 -8.731 1.599 -1.874 1.00 0.00 C ATOM 396 CG2 ILE A 28 -10.901 2.787 -1.339 1.00 0.00 C ATOM 397 CD1 ILE A 28 -8.018 2.720 -2.649 1.00 0.00 C ATOM 0 H ILE A 28 -7.760 1.103 0.611 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.518 3.722 0.024 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.020 1.161 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.974 0.936 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.314 1.010 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.318 2.182 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.659 2.940 -0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.587 3.752 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.390 2.283 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.760 3.374 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.399 3.299 -1.964 1.00 0.00 H new ATOM 409 N GLY A 29 -10.863 2.598 2.104 1.00 0.00 N ATOM 410 CA GLY A 29 -11.979 3.063 2.971 1.00 0.00 C ATOM 411 C GLY A 29 -11.637 3.860 4.247 1.00 0.00 C ATOM 412 O GLY A 29 -12.133 4.974 4.422 1.00 0.00 O ATOM 0 H GLY A 29 -10.834 1.585 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.638 3.681 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.553 2.186 3.272 1.00 0.00 H new ATOM 416 N ILE A 30 -10.806 3.289 5.130 1.00 0.00 N ATOM 417 CA ILE A 30 -10.381 3.952 6.401 1.00 0.00 C ATOM 418 C ILE A 30 -9.219 4.967 6.183 1.00 0.00 C ATOM 419 O ILE A 30 -9.323 6.075 6.717 1.00 0.00 O ATOM 420 CB ILE A 30 -10.094 2.891 7.527 1.00 0.00 C ATOM 421 CG1 ILE A 30 -11.195 1.804 7.745 1.00 0.00 C ATOM 422 CG2 ILE A 30 -9.739 3.527 8.894 1.00 0.00 C ATOM 423 CD1 ILE A 30 -12.621 2.309 8.026 1.00 0.00 C ATOM 0 H ILE A 30 -10.404 2.361 4.998 1.00 0.00 H new ATOM 0 HA ILE A 30 -11.216 4.556 6.757 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.223 2.376 7.121 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.227 1.170 6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.888 1.172 8.578 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.553 2.740 9.624 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.845 4.142 8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.568 4.148 9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -13.289 1.458 8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.621 2.914 8.932 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.965 2.913 7.186 1.00 0.00 H new ATOM 435 N LEU A 31 -8.132 4.640 5.446 1.00 0.00 N ATOM 436 CA LEU A 31 -7.016 5.605 5.226 1.00 0.00 C ATOM 437 C LEU A 31 -7.375 6.717 4.182 1.00 0.00 C ATOM 438 O LEU A 31 -7.016 7.868 4.430 1.00 0.00 O ATOM 439 CB LEU A 31 -5.637 4.903 5.021 1.00 0.00 C ATOM 440 CG LEU A 31 -5.285 3.730 5.993 1.00 0.00 C ATOM 441 CD1 LEU A 31 -3.992 2.989 5.607 1.00 0.00 C ATOM 442 CD2 LEU A 31 -5.196 4.174 7.466 1.00 0.00 C ATOM 0 H LEU A 31 -7.999 3.733 4.998 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.882 6.158 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.600 4.520 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.856 5.659 5.106 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.121 3.038 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.805 2.187 6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.099 2.567 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.155 3.687 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.949 3.315 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.422 4.934 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.155 4.587 7.780 1.00 0.00 H new ATOM 454 N GLY A 32 -8.149 6.456 3.101 1.00 0.00 N ATOM 455 CA GLY A 32 -8.793 7.541 2.307 1.00 0.00 C ATOM 456 C GLY A 32 -9.973 8.313 2.952 1.00 0.00 C ATOM 457 O GLY A 32 -10.096 9.513 2.705 1.00 0.00 O ATOM 0 H GLY A 32 -8.344 5.515 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.022 8.266 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.150 7.105 1.374 1.00 0.00 H new ATOM 461 N GLY A 33 -10.804 7.672 3.797 1.00 0.00 N ATOM 462 CA GLY A 33 -11.744 8.386 4.708 1.00 0.00 C ATOM 463 C GLY A 33 -11.108 9.399 5.694 1.00 0.00 C ATOM 464 O GLY A 33 -11.481 10.576 5.685 1.00 0.00 O ATOM 0 H GLY A 33 -10.849 6.656 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.476 8.916 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.291 7.642 5.287 1.00 0.00 H new ATOM 468 N LYS A 34 -10.107 8.961 6.482 1.00 0.00 N ATOM 469 CA LYS A 34 -9.190 9.876 7.230 1.00 0.00 C ATOM 470 C LYS A 34 -8.470 10.994 6.392 1.00 0.00 C ATOM 471 O LYS A 34 -8.432 12.146 6.833 1.00 0.00 O ATOM 472 CB LYS A 34 -8.159 9.004 7.999 1.00 0.00 C ATOM 473 CG LYS A 34 -8.698 8.305 9.268 1.00 0.00 C ATOM 474 CD LYS A 34 -7.639 7.417 9.956 1.00 0.00 C ATOM 475 CE LYS A 34 -8.018 6.923 11.365 1.00 0.00 C ATOM 476 NZ LYS A 34 -9.139 5.962 11.363 1.00 0.00 N ATOM 0 H LYS A 34 -9.903 7.972 6.625 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.825 10.453 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.775 8.242 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.315 9.634 8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.046 9.060 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.561 7.694 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.447 6.550 9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.706 7.976 10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.148 6.455 11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.284 7.780 11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.435 5.772 12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.938 6.362 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.835 5.074 10.914 1.00 0.00 H new ATOM 489 N PHE A 35 -7.936 10.684 5.190 1.00 0.00 N ATOM 490 CA PHE A 35 -7.404 11.687 4.227 1.00 0.00 C ATOM 491 C PHE A 35 -8.429 12.778 3.780 1.00 0.00 C ATOM 492 O PHE A 35 -8.058 13.950 3.732 1.00 0.00 O ATOM 493 CB PHE A 35 -6.659 10.937 3.067 1.00 0.00 C ATOM 494 CG PHE A 35 -6.644 11.560 1.653 1.00 0.00 C ATOM 495 CD1 PHE A 35 -7.700 11.322 0.763 1.00 0.00 C ATOM 496 CD2 PHE A 35 -5.601 12.399 1.260 1.00 0.00 C ATOM 497 CE1 PHE A 35 -7.711 11.920 -0.494 1.00 0.00 C ATOM 498 CE2 PHE A 35 -5.615 13.004 0.005 1.00 0.00 C ATOM 499 CZ PHE A 35 -6.668 12.761 -0.872 1.00 0.00 C ATOM 0 H PHE A 35 -7.859 9.724 4.854 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.669 12.305 4.743 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.623 10.801 3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.099 9.943 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.511 10.670 1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.777 12.581 1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.528 11.732 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.809 13.661 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.676 13.225 -1.847 1.00 0.00 H new ATOM 509 N LEU A 36 -9.684 12.421 3.452 1.00 0.00 N ATOM 510 CA LEU A 36 -10.750 13.383 3.127 1.00 0.00 C ATOM 511 C LEU A 36 -11.178 14.266 4.347 1.00 0.00 C ATOM 512 O LEU A 36 -11.414 15.459 4.153 1.00 0.00 O ATOM 513 CB LEU A 36 -11.820 12.529 2.376 1.00 0.00 C ATOM 514 CG LEU A 36 -13.170 13.164 1.956 1.00 0.00 C ATOM 515 CD1 LEU A 36 -14.090 13.279 3.179 1.00 0.00 C ATOM 516 CD2 LEU A 36 -13.028 14.500 1.201 1.00 0.00 C ATOM 0 H LEU A 36 -9.988 11.449 3.405 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.451 14.195 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.349 12.143 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.049 11.670 3.007 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.628 12.494 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.038 13.726 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.271 12.287 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.615 13.906 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.017 14.879 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.517 15.224 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.450 14.344 0.290 1.00 0.00 H new ATOM 528 N GLU A 37 -11.258 13.739 5.591 1.00 0.00 N ATOM 529 CA GLU A 37 -11.327 14.556 6.827 1.00 0.00 C ATOM 530 C GLU A 37 -10.198 15.635 6.998 1.00 0.00 C ATOM 531 O GLU A 37 -10.494 16.769 7.382 1.00 0.00 O ATOM 532 CB GLU A 37 -11.378 13.523 7.990 1.00 0.00 C ATOM 533 CG GLU A 37 -12.206 13.941 9.212 1.00 0.00 C ATOM 534 CD GLU A 37 -11.588 15.028 10.095 1.00 0.00 C ATOM 535 OE1 GLU A 37 -10.654 14.828 10.868 1.00 0.00 O ATOM 536 OE2 GLU A 37 -12.190 16.243 9.920 1.00 0.00 O ATOM 0 H GLU A 37 -11.277 12.734 5.767 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.211 15.193 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.781 12.587 7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.358 13.320 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.179 14.290 8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.384 13.058 9.826 1.00 0.00 H new ATOM 544 N GLY A 38 -8.942 15.307 6.630 1.00 0.00 N ATOM 545 CA GLY A 38 -7.902 16.328 6.348 1.00 0.00 C ATOM 546 C GLY A 38 -8.113 17.262 5.128 1.00 0.00 C ATOM 547 O GLY A 38 -7.704 18.423 5.203 1.00 0.00 O ATOM 0 H GLY A 38 -8.620 14.345 6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.799 16.954 7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.953 15.810 6.212 1.00 0.00 H new ATOM 551 N ALA A 39 -8.723 16.782 4.022 1.00 0.00 N ATOM 552 CA ALA A 39 -8.993 17.624 2.821 1.00 0.00 C ATOM 553 C ALA A 39 -10.125 18.683 2.981 1.00 0.00 C ATOM 554 O ALA A 39 -10.025 19.772 2.410 1.00 0.00 O ATOM 555 CB ALA A 39 -9.267 16.710 1.613 1.00 0.00 C ATOM 0 H ALA A 39 -9.040 15.817 3.930 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.093 18.220 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.465 17.321 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.397 16.079 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.133 16.082 1.821 1.00 0.00 H new ATOM 561 N ALA A 40 -11.157 18.386 3.796 1.00 0.00 N ATOM 562 CA ALA A 40 -12.098 19.404 4.328 1.00 0.00 C ATOM 563 C ALA A 40 -11.480 20.608 5.122 1.00 0.00 C ATOM 564 O ALA A 40 -12.033 21.709 5.057 1.00 0.00 O ATOM 565 CB ALA A 40 -13.108 18.610 5.181 1.00 0.00 C ATOM 0 H ALA A 40 -11.365 17.437 4.106 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.547 19.926 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.839 19.295 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.619 17.880 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.580 18.093 5.983 1.00 0.00 H new ATOM 571 N ARG A 41 -10.345 20.420 5.832 1.00 0.00 N ATOM 572 CA ARG A 41 -9.577 21.519 6.469 1.00 0.00 C ATOM 573 C ARG A 41 -8.574 22.196 5.472 1.00 0.00 C ATOM 574 O ARG A 41 -8.705 23.394 5.208 1.00 0.00 O ATOM 575 CB ARG A 41 -8.994 20.924 7.786 1.00 0.00 C ATOM 576 CG ARG A 41 -8.342 21.921 8.769 1.00 0.00 C ATOM 577 CD ARG A 41 -6.865 22.212 8.451 1.00 0.00 C ATOM 578 NE ARG A 41 -6.256 23.187 9.391 1.00 0.00 N ATOM 579 CZ ARG A 41 -6.381 24.521 9.316 1.00 0.00 C ATOM 580 NH1 ARG A 41 -7.078 25.152 8.389 1.00 0.00 N ATOM 581 NH2 ARG A 41 -5.766 25.240 10.220 1.00 0.00 N ATOM 0 H ARG A 41 -9.933 19.499 5.981 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.193 22.376 6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.797 20.406 8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.250 20.173 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.901 22.856 8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.417 21.524 9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.300 21.280 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.786 22.596 7.434 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.697 22.812 10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.566 24.621 7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.129 26.171 8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.216 24.783 10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.837 26.257 10.197 1.00 0.00 H new ATOM 594 N GLN A 42 -7.583 21.452 4.943 1.00 0.00 N ATOM 595 CA GLN A 42 -6.633 21.943 3.908 1.00 0.00 C ATOM 596 C GLN A 42 -6.334 20.766 2.916 1.00 0.00 C ATOM 597 O GLN A 42 -5.688 19.798 3.341 1.00 0.00 O ATOM 598 CB GLN A 42 -5.303 22.462 4.526 1.00 0.00 C ATOM 599 CG GLN A 42 -5.334 23.925 5.027 1.00 0.00 C ATOM 600 CD GLN A 42 -3.986 24.403 5.583 1.00 0.00 C ATOM 601 OE1 GLN A 42 -3.083 24.777 4.839 1.00 0.00 O ATOM 602 NE2 GLN A 42 -3.803 24.404 6.888 1.00 0.00 N ATOM 0 H GLN A 42 -7.412 20.485 5.220 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.092 22.785 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.032 21.815 5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.514 22.367 3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.633 24.577 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.094 24.020 5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.551 24.094 7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.913 24.715 7.278 1.00 0.00 H new ATOM 611 N PRO A 43 -6.702 20.803 1.600 1.00 0.00 N ATOM 612 CA PRO A 43 -6.334 19.729 0.628 1.00 0.00 C ATOM 613 C PRO A 43 -4.865 19.645 0.101 1.00 0.00 C ATOM 614 O PRO A 43 -4.549 18.700 -0.625 1.00 0.00 O ATOM 615 CB PRO A 43 -7.373 19.958 -0.483 1.00 0.00 C ATOM 616 CG PRO A 43 -7.669 21.459 -0.461 1.00 0.00 C ATOM 617 CD PRO A 43 -7.578 21.839 1.017 1.00 0.00 C ATOM 0 HA PRO A 43 -6.356 18.755 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.985 19.648 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.277 19.377 -0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.948 22.016 -1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.657 21.676 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.158 22.836 1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.560 21.843 1.489 1.00 0.00 H new ATOM 625 N ASP A 44 -3.968 20.563 0.498 1.00 0.00 N ATOM 626 CA ASP A 44 -2.496 20.338 0.429 1.00 0.00 C ATOM 627 C ASP A 44 -1.833 20.682 1.804 1.00 0.00 C ATOM 628 O ASP A 44 -0.956 21.548 1.891 1.00 0.00 O ATOM 629 CB ASP A 44 -1.880 21.108 -0.776 1.00 0.00 C ATOM 630 CG ASP A 44 -2.215 20.527 -2.154 1.00 0.00 C ATOM 631 OD1 ASP A 44 -1.612 19.583 -2.656 1.00 0.00 O ATOM 632 OD2 ASP A 44 -3.261 21.175 -2.751 1.00 0.00 O ATOM 0 H ASP A 44 -4.228 21.475 0.873 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.291 19.283 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.223 22.142 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.796 21.127 -0.660 1.00 0.00 H new ATOM 638 N LEU A 45 -2.207 19.948 2.874 1.00 0.00 N ATOM 639 CA LEU A 45 -1.451 19.944 4.162 1.00 0.00 C ATOM 640 C LEU A 45 -0.249 18.931 4.121 1.00 0.00 C ATOM 641 O LEU A 45 -0.217 17.993 3.315 1.00 0.00 O ATOM 642 CB LEU A 45 -2.406 19.672 5.376 1.00 0.00 C ATOM 643 CG LEU A 45 -2.553 20.824 6.409 1.00 0.00 C ATOM 644 CD1 LEU A 45 -3.642 20.482 7.443 1.00 0.00 C ATOM 645 CD2 LEU A 45 -1.265 21.209 7.162 1.00 0.00 C ATOM 0 H LEU A 45 -3.030 19.346 2.879 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.024 20.937 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.396 19.434 4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.049 18.786 5.900 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.825 21.691 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.733 21.299 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.595 20.338 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.370 19.567 7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.479 22.021 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.895 20.346 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.509 21.533 6.447 1.00 0.00 H new ATOM 657 N ILE A 46 0.717 19.075 5.051 1.00 0.00 N ATOM 658 CA ILE A 46 1.787 18.048 5.288 1.00 0.00 C ATOM 659 C ILE A 46 1.178 16.716 5.882 1.00 0.00 C ATOM 660 O ILE A 46 1.300 15.708 5.179 1.00 0.00 O ATOM 661 CB ILE A 46 3.033 18.637 6.049 1.00 0.00 C ATOM 662 CG1 ILE A 46 3.666 19.911 5.409 1.00 0.00 C ATOM 663 CG2 ILE A 46 4.141 17.583 6.310 1.00 0.00 C ATOM 664 CD1 ILE A 46 4.184 19.789 3.963 1.00 0.00 C ATOM 0 H ILE A 46 0.790 19.891 5.659 1.00 0.00 H new ATOM 0 HA ILE A 46 2.207 17.753 4.326 1.00 0.00 H new ATOM 0 HB ILE A 46 2.602 18.948 7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.922 20.707 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.496 20.229 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.972 18.052 6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.737 16.773 6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.494 17.183 5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.598 20.745 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.960 19.025 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.361 19.511 3.304 1.00 0.00 H new ATOM 676 N PRO A 47 0.468 16.631 7.054 1.00 0.00 N ATOM 677 CA PRO A 47 -0.370 15.447 7.420 1.00 0.00 C ATOM 678 C PRO A 47 -1.486 14.960 6.429 1.00 0.00 C ATOM 679 O PRO A 47 -1.868 13.790 6.495 1.00 0.00 O ATOM 680 CB PRO A 47 -0.925 15.837 8.806 1.00 0.00 C ATOM 681 CG PRO A 47 -0.839 17.361 8.869 1.00 0.00 C ATOM 682 CD PRO A 47 0.425 17.690 8.076 1.00 0.00 C ATOM 0 HA PRO A 47 0.252 14.552 7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.954 15.497 8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.342 15.378 9.605 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.720 17.829 8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.769 17.715 9.897 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.371 18.681 7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.312 17.675 8.709 1.00 0.00 H new ATOM 690 N LEU A 48 -1.966 15.805 5.494 1.00 0.00 N ATOM 691 CA LEU A 48 -2.774 15.353 4.322 1.00 0.00 C ATOM 692 C LEU A 48 -1.978 14.460 3.320 1.00 0.00 C ATOM 693 O LEU A 48 -2.426 13.349 3.029 1.00 0.00 O ATOM 694 CB LEU A 48 -3.426 16.615 3.681 1.00 0.00 C ATOM 695 CG LEU A 48 -4.437 16.483 2.513 1.00 0.00 C ATOM 696 CD1 LEU A 48 -3.810 16.123 1.153 1.00 0.00 C ATOM 697 CD2 LEU A 48 -5.591 15.537 2.857 1.00 0.00 C ATOM 0 H LEU A 48 -1.811 16.813 5.521 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.563 14.680 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.931 17.155 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.614 17.251 3.330 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.838 17.489 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.593 16.053 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.097 16.896 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.295 15.166 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.275 15.474 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.195 14.546 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.125 15.917 3.728 1.00 0.00 H new ATOM 709 N LEU A 49 -0.816 14.917 2.813 1.00 0.00 N ATOM 710 CA LEU A 49 0.102 14.074 1.983 1.00 0.00 C ATOM 711 C LEU A 49 0.791 12.865 2.702 1.00 0.00 C ATOM 712 O LEU A 49 1.117 11.884 2.027 1.00 0.00 O ATOM 713 CB LEU A 49 1.146 14.995 1.285 1.00 0.00 C ATOM 714 CG LEU A 49 0.606 16.088 0.316 1.00 0.00 C ATOM 715 CD1 LEU A 49 1.743 17.030 -0.123 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.095 15.502 -0.926 1.00 0.00 C ATOM 0 H LEU A 49 -0.479 15.869 2.958 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.540 13.580 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.729 15.491 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.834 14.361 0.726 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.145 16.648 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.347 17.787 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.172 17.515 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.515 16.455 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.449 16.314 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.609 14.885 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.942 14.892 -0.612 1.00 0.00 H new ATOM 728 N ARG A 50 0.922 12.873 4.045 1.00 0.00 N ATOM 729 CA ARG A 50 1.094 11.625 4.847 1.00 0.00 C ATOM 730 C ARG A 50 -0.058 10.595 4.643 1.00 0.00 C ATOM 731 O ARG A 50 0.208 9.466 4.229 1.00 0.00 O ATOM 732 CB ARG A 50 1.203 11.946 6.363 1.00 0.00 C ATOM 733 CG ARG A 50 2.448 12.731 6.843 1.00 0.00 C ATOM 734 CD ARG A 50 3.777 11.964 6.714 1.00 0.00 C ATOM 735 NE ARG A 50 4.887 12.792 7.242 1.00 0.00 N ATOM 736 CZ ARG A 50 6.180 12.442 7.228 1.00 0.00 C ATOM 737 NH1 ARG A 50 6.634 11.301 6.739 1.00 0.00 N ATOM 738 NH2 ARG A 50 7.045 13.283 7.732 1.00 0.00 N ATOM 0 H ARG A 50 0.913 13.726 4.605 1.00 0.00 H new ATOM 0 HA ARG A 50 2.018 11.175 4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.317 12.513 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.169 11.003 6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.521 13.656 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.305 13.011 7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.720 11.024 7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.963 11.713 5.670 1.00 0.00 H new ATOM 0 HE ARG A 50 4.648 13.697 7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.985 10.623 6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.633 11.099 6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.727 14.172 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.038 13.050 7.739 1.00 0.00 H new ATOM 751 N THR A 51 -1.319 10.986 4.921 1.00 0.00 N ATOM 752 CA THR A 51 -2.495 10.088 4.788 1.00 0.00 C ATOM 753 C THR A 51 -2.825 9.662 3.312 1.00 0.00 C ATOM 754 O THR A 51 -3.213 8.512 3.101 1.00 0.00 O ATOM 755 CB THR A 51 -3.712 10.649 5.584 1.00 0.00 C ATOM 756 OG1 THR A 51 -3.327 11.250 6.819 1.00 0.00 O ATOM 757 CG2 THR A 51 -4.701 9.547 5.977 1.00 0.00 C ATOM 0 H THR A 51 -1.554 11.925 5.242 1.00 0.00 H new ATOM 0 HA THR A 51 -2.223 9.140 5.252 1.00 0.00 H new ATOM 0 HB THR A 51 -4.160 11.377 4.907 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.933 12.130 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.532 9.984 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.079 9.060 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.196 8.811 6.603 1.00 0.00 H new ATOM 765 N GLN A 52 -2.590 10.518 2.291 1.00 0.00 N ATOM 766 CA GLN A 52 -2.462 10.113 0.871 1.00 0.00 C ATOM 767 C GLN A 52 -1.435 8.971 0.579 1.00 0.00 C ATOM 768 O GLN A 52 -1.794 7.965 -0.036 1.00 0.00 O ATOM 769 CB GLN A 52 -2.183 11.402 0.046 1.00 0.00 C ATOM 770 CG GLN A 52 -2.728 11.392 -1.394 1.00 0.00 C ATOM 771 CD GLN A 52 -1.990 10.488 -2.394 1.00 0.00 C ATOM 772 OE1 GLN A 52 -0.791 10.624 -2.628 1.00 0.00 O ATOM 773 NE2 GLN A 52 -2.677 9.549 -3.013 1.00 0.00 N ATOM 0 H GLN A 52 -2.482 11.523 2.432 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.401 9.648 0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.614 12.252 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.106 11.563 0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.773 11.085 -1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.707 12.413 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.672 9.434 -2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.214 8.937 -3.685 1.00 0.00 H new ATOM 782 N PHE A 53 -0.190 9.113 1.069 1.00 0.00 N ATOM 783 CA PHE A 53 0.814 8.007 1.080 1.00 0.00 C ATOM 784 C PHE A 53 0.381 6.686 1.818 1.00 0.00 C ATOM 785 O PHE A 53 0.653 5.601 1.298 1.00 0.00 O ATOM 786 CB PHE A 53 2.173 8.578 1.573 1.00 0.00 C ATOM 787 CG PHE A 53 3.371 7.625 1.404 1.00 0.00 C ATOM 788 CD1 PHE A 53 3.988 7.478 0.156 1.00 0.00 C ATOM 789 CD2 PHE A 53 3.816 6.852 2.484 1.00 0.00 C ATOM 790 CE1 PHE A 53 5.029 6.567 -0.009 1.00 0.00 C ATOM 791 CE2 PHE A 53 4.856 5.942 2.314 1.00 0.00 C ATOM 792 CZ PHE A 53 5.462 5.800 1.068 1.00 0.00 C ATOM 0 H PHE A 53 0.157 9.985 1.468 1.00 0.00 H new ATOM 0 HA PHE A 53 0.910 7.653 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.381 9.501 1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.081 8.840 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.656 8.073 -0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.351 6.962 3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.501 6.456 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.193 5.346 3.149 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.269 5.094 0.938 1.00 0.00 H new ATOM 802 N PHE A 54 -0.318 6.760 2.971 1.00 0.00 N ATOM 803 CA PHE A 54 -1.034 5.611 3.583 1.00 0.00 C ATOM 804 C PHE A 54 -2.071 4.864 2.669 1.00 0.00 C ATOM 805 O PHE A 54 -2.115 3.631 2.701 1.00 0.00 O ATOM 806 CB PHE A 54 -1.672 6.072 4.927 1.00 0.00 C ATOM 807 CG PHE A 54 -0.746 6.059 6.161 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.456 4.849 6.802 1.00 0.00 C ATOM 809 CD2 PHE A 54 -0.205 7.243 6.672 1.00 0.00 C ATOM 810 CE1 PHE A 54 0.379 4.821 7.916 1.00 0.00 C ATOM 811 CE2 PHE A 54 0.631 7.217 7.786 1.00 0.00 C ATOM 812 CZ PHE A 54 0.923 6.005 8.405 1.00 0.00 C ATOM 0 H PHE A 54 -0.404 7.622 3.509 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.277 4.846 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.053 7.085 4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.530 5.433 5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.883 3.930 6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.437 8.186 6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.604 3.882 8.400 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.052 8.135 8.169 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.573 5.983 9.267 1.00 0.00 H new ATOM 822 N ILE A 55 -2.851 5.580 1.828 1.00 0.00 N ATOM 823 CA ILE A 55 -3.634 4.969 0.699 1.00 0.00 C ATOM 824 C ILE A 55 -2.724 4.210 -0.332 1.00 0.00 C ATOM 825 O ILE A 55 -3.050 3.075 -0.690 1.00 0.00 O ATOM 826 CB ILE A 55 -4.554 5.996 -0.067 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.372 6.964 0.829 1.00 0.00 C ATOM 828 CG2 ILE A 55 -5.543 5.281 -1.028 1.00 0.00 C ATOM 829 CD1 ILE A 55 -5.893 8.218 0.111 1.00 0.00 C ATOM 0 H ILE A 55 -2.964 6.591 1.901 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.285 4.246 1.191 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.834 6.601 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.221 6.422 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.749 7.275 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.158 6.024 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.982 4.708 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.183 4.609 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.452 8.834 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.051 8.788 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.546 7.922 -0.710 1.00 0.00 H new ATOM 841 N VAL A 56 -1.622 4.835 -0.810 1.00 0.00 N ATOM 842 CA VAL A 56 -0.694 4.238 -1.818 1.00 0.00 C ATOM 843 C VAL A 56 -0.071 2.895 -1.326 1.00 0.00 C ATOM 844 O VAL A 56 -0.279 1.890 -1.999 1.00 0.00 O ATOM 845 CB VAL A 56 0.359 5.297 -2.318 1.00 0.00 C ATOM 846 CG1 VAL A 56 1.376 4.736 -3.343 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.277 6.552 -2.967 1.00 0.00 C ATOM 0 H VAL A 56 -1.345 5.770 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.278 3.962 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 56 0.870 5.569 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.067 5.525 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.934 3.916 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.844 4.372 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.510 7.235 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.871 6.254 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.918 7.052 -2.241 1.00 0.00 H new ATOM 857 N MET A 57 0.622 2.841 -0.172 1.00 0.00 N ATOM 858 CA MET A 57 1.167 1.572 0.385 1.00 0.00 C ATOM 859 C MET A 57 0.150 0.410 0.688 1.00 0.00 C ATOM 860 O MET A 57 0.503 -0.762 0.516 1.00 0.00 O ATOM 861 CB MET A 57 2.157 1.872 1.539 1.00 0.00 C ATOM 862 CG MET A 57 1.543 2.285 2.885 1.00 0.00 C ATOM 863 SD MET A 57 0.939 0.819 3.752 1.00 0.00 S ATOM 864 CE MET A 57 0.011 1.585 5.088 1.00 0.00 C ATOM 0 H MET A 57 0.822 3.661 0.400 1.00 0.00 H new ATOM 0 HA MET A 57 1.715 1.121 -0.442 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.768 0.985 1.702 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.829 2.666 1.213 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.288 2.799 3.493 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.725 2.987 2.723 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.427 0.810 5.717 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.679 2.204 5.687 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.782 2.205 4.671 1.00 0.00 H new ATOM 874 N GLY A 58 -1.111 0.725 1.072 1.00 0.00 N ATOM 875 CA GLY A 58 -2.216 -0.250 1.101 1.00 0.00 C ATOM 876 C GLY A 58 -2.564 -0.733 -0.312 1.00 0.00 C ATOM 877 O GLY A 58 -2.233 -1.872 -0.619 1.00 0.00 O ATOM 0 H GLY A 58 -1.385 1.662 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.937 -1.102 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.094 0.205 1.560 1.00 0.00 H new ATOM 881 N LEU A 59 -3.115 0.114 -1.202 1.00 0.00 N ATOM 882 CA LEU A 59 -3.298 -0.214 -2.659 1.00 0.00 C ATOM 883 C LEU A 59 -2.099 -0.857 -3.466 1.00 0.00 C ATOM 884 O LEU A 59 -2.305 -1.475 -4.514 1.00 0.00 O ATOM 885 CB LEU A 59 -3.853 1.086 -3.311 1.00 0.00 C ATOM 886 CG LEU A 59 -4.524 0.959 -4.705 1.00 0.00 C ATOM 887 CD1 LEU A 59 -5.773 0.052 -4.684 1.00 0.00 C ATOM 888 CD2 LEU A 59 -4.891 2.361 -5.226 1.00 0.00 C ATOM 0 H LEU A 59 -3.449 1.044 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.983 -1.061 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.580 1.522 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.031 1.797 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.806 0.486 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.201 -0.001 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.490 -0.949 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.510 0.464 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.362 2.274 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.583 2.838 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.988 2.966 -5.311 1.00 0.00 H new ATOM 900 N VAL A 60 -0.875 -0.759 -2.929 1.00 0.00 N ATOM 901 CA VAL A 60 0.326 -1.531 -3.362 1.00 0.00 C ATOM 902 C VAL A 60 0.388 -2.983 -2.780 1.00 0.00 C ATOM 903 O VAL A 60 0.711 -3.897 -3.541 1.00 0.00 O ATOM 904 CB VAL A 60 1.610 -0.658 -3.100 1.00 0.00 C ATOM 905 CG1 VAL A 60 2.972 -1.392 -3.106 1.00 0.00 C ATOM 906 CG2 VAL A 60 1.735 0.539 -4.075 1.00 0.00 C ATOM 0 H VAL A 60 -0.674 -0.124 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 60 0.261 -1.718 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 60 1.424 -0.331 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.772 -0.677 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.976 -2.158 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.129 -1.859 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.639 1.103 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.788 0.170 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.866 1.188 -3.968 1.00 0.00 H new ATOM 916 N ASP A 61 0.044 -3.240 -1.496 1.00 0.00 N ATOM 917 CA ASP A 61 -0.354 -4.608 -1.037 1.00 0.00 C ATOM 918 C ASP A 61 -1.445 -5.317 -1.913 1.00 0.00 C ATOM 919 O ASP A 61 -1.347 -6.526 -2.124 1.00 0.00 O ATOM 920 CB ASP A 61 -0.814 -4.563 0.453 1.00 0.00 C ATOM 921 CG ASP A 61 -0.809 -5.915 1.183 1.00 0.00 C ATOM 922 OD1 ASP A 61 0.089 -6.749 1.080 1.00 0.00 O ATOM 923 OD2 ASP A 61 -1.917 -6.084 1.966 1.00 0.00 O ATOM 0 H ASP A 61 0.031 -2.533 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 61 0.544 -5.216 -1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.167 -3.874 0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.822 -4.151 0.492 1.00 0.00 H new ATOM 929 N ALA A 62 -2.443 -4.587 -2.464 1.00 0.00 N ATOM 930 CA ALA A 62 -3.238 -5.073 -3.620 1.00 0.00 C ATOM 931 C ALA A 62 -2.369 -5.402 -4.875 1.00 0.00 C ATOM 932 O ALA A 62 -2.022 -6.570 -5.033 1.00 0.00 O ATOM 933 CB ALA A 62 -4.445 -4.151 -3.889 1.00 0.00 C ATOM 0 H ALA A 62 -2.717 -3.663 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.658 -6.042 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.010 -4.530 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.088 -4.127 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.092 -3.143 -4.108 1.00 0.00 H new ATOM 939 N ILE A 63 -1.986 -4.431 -5.725 1.00 0.00 N ATOM 940 CA ILE A 63 -1.433 -4.707 -7.094 1.00 0.00 C ATOM 941 C ILE A 63 -0.056 -5.471 -7.109 1.00 0.00 C ATOM 942 O ILE A 63 0.053 -6.532 -7.743 1.00 0.00 O ATOM 943 CB ILE A 63 -1.449 -3.388 -7.959 1.00 0.00 C ATOM 944 CG1 ILE A 63 -2.799 -2.599 -7.999 1.00 0.00 C ATOM 945 CG2 ILE A 63 -0.956 -3.604 -9.414 1.00 0.00 C ATOM 946 CD1 ILE A 63 -4.039 -3.360 -8.503 1.00 0.00 C ATOM 0 H ILE A 63 -2.044 -3.438 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.100 -5.426 -7.569 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.742 -2.766 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.010 -2.237 -6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.660 -1.722 -8.631 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.992 -2.658 -9.955 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.069 -3.975 -9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.598 -4.331 -9.912 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.906 -2.699 -8.480 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.868 -3.699 -9.525 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.223 -4.222 -7.861 1.00 0.00 H new ATOM 958 N ALA A 64 0.975 -4.928 -6.428 1.00 0.00 N ATOM 959 CA ALA A 64 2.342 -5.504 -6.384 1.00 0.00 C ATOM 960 C ALA A 64 2.430 -6.965 -5.855 1.00 0.00 C ATOM 961 O ALA A 64 2.846 -7.873 -6.585 1.00 0.00 O ATOM 962 CB ALA A 64 3.220 -4.536 -5.557 1.00 0.00 C ATOM 0 H ALA A 64 0.884 -4.068 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 64 2.702 -5.595 -7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.237 -4.925 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.232 -3.557 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.811 -4.443 -4.551 1.00 0.00 H new ATOM 968 N MET A 65 1.978 -7.183 -4.606 1.00 0.00 N ATOM 969 CA MET A 65 1.900 -8.514 -3.983 1.00 0.00 C ATOM 970 C MET A 65 0.960 -9.509 -4.729 1.00 0.00 C ATOM 971 O MET A 65 1.442 -10.603 -5.033 1.00 0.00 O ATOM 972 CB MET A 65 1.543 -8.300 -2.491 1.00 0.00 C ATOM 973 CG MET A 65 2.673 -7.787 -1.577 1.00 0.00 C ATOM 974 SD MET A 65 4.009 -8.998 -1.496 1.00 0.00 S ATOM 975 CE MET A 65 5.094 -8.193 -0.304 1.00 0.00 C ATOM 0 H MET A 65 1.654 -6.432 -3.997 1.00 0.00 H new ATOM 0 HA MET A 65 2.865 -9.014 -4.059 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.714 -7.594 -2.437 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.182 -9.246 -2.088 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.055 -6.839 -1.956 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.284 -7.597 -0.577 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.975 -8.813 -0.138 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.401 -7.221 -0.690 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.563 -8.058 0.638 1.00 0.00 H new ATOM 985 N ILE A 66 -0.306 -9.161 -5.083 1.00 0.00 N ATOM 986 CA ILE A 66 -1.214 -10.079 -5.845 1.00 0.00 C ATOM 987 C ILE A 66 -0.592 -10.678 -7.146 1.00 0.00 C ATOM 988 O ILE A 66 -0.482 -11.898 -7.238 1.00 0.00 O ATOM 989 CB ILE A 66 -2.668 -9.518 -6.037 1.00 0.00 C ATOM 990 CG1 ILE A 66 -3.684 -10.683 -6.216 1.00 0.00 C ATOM 991 CG2 ILE A 66 -2.811 -8.463 -7.169 1.00 0.00 C ATOM 992 CD1 ILE A 66 -5.133 -10.260 -6.461 1.00 0.00 C ATOM 0 H ILE A 66 -0.725 -8.259 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.329 -10.941 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.898 -8.975 -5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.358 -11.301 -7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.652 -11.310 -5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.848 -8.132 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.169 -7.609 -6.953 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.516 -8.907 -8.120 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.757 -11.147 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.488 -9.670 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.188 -9.661 -7.370 1.00 0.00 H new ATOM 1004 N ALA A 67 -0.129 -9.846 -8.095 1.00 0.00 N ATOM 1005 CA ALA A 67 0.598 -10.336 -9.297 1.00 0.00 C ATOM 1006 C ALA A 67 1.900 -11.170 -9.058 1.00 0.00 C ATOM 1007 O ALA A 67 2.084 -12.182 -9.744 1.00 0.00 O ATOM 1008 CB ALA A 67 0.833 -9.100 -10.181 1.00 0.00 C ATOM 0 H ALA A 67 -0.241 -8.833 -8.061 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.025 -11.089 -9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.366 -9.395 -11.085 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.126 -8.659 -10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.426 -8.368 -9.633 1.00 0.00 H new ATOM 1014 N VAL A 68 2.755 -10.807 -8.076 1.00 0.00 N ATOM 1015 CA VAL A 68 3.951 -11.629 -7.691 1.00 0.00 C ATOM 1016 C VAL A 68 3.573 -13.066 -7.167 1.00 0.00 C ATOM 1017 O VAL A 68 4.019 -14.056 -7.756 1.00 0.00 O ATOM 1018 CB VAL A 68 4.898 -10.798 -6.747 1.00 0.00 C ATOM 1019 CG1 VAL A 68 6.068 -11.602 -6.128 1.00 0.00 C ATOM 1020 CG2 VAL A 68 5.533 -9.576 -7.459 1.00 0.00 C ATOM 0 H VAL A 68 2.649 -9.953 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 68 4.529 -11.846 -8.589 1.00 0.00 H new ATOM 0 HB VAL A 68 4.219 -10.486 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.665 -10.946 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.670 -12.422 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.694 -12.005 -6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.176 -9.041 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.125 -9.917 -8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.745 -8.910 -7.810 1.00 0.00 H new ATOM 1030 N GLY A 69 2.777 -13.187 -6.088 1.00 0.00 N ATOM 1031 CA GLY A 69 2.393 -14.509 -5.519 1.00 0.00 C ATOM 1032 C GLY A 69 1.195 -15.280 -6.119 1.00 0.00 C ATOM 1033 O GLY A 69 1.133 -16.491 -5.907 1.00 0.00 O ATOM 0 H GLY A 69 2.383 -12.390 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.266 -15.159 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.187 -14.360 -4.459 1.00 0.00 H new ATOM 1037 N LEU A 70 0.284 -14.646 -6.884 1.00 0.00 N ATOM 1038 CA LEU A 70 -0.612 -15.366 -7.842 1.00 0.00 C ATOM 1039 C LEU A 70 0.185 -16.001 -9.028 1.00 0.00 C ATOM 1040 O LEU A 70 -0.033 -17.179 -9.318 1.00 0.00 O ATOM 1041 CB LEU A 70 -1.772 -14.427 -8.284 1.00 0.00 C ATOM 1042 CG LEU A 70 -3.033 -15.081 -8.918 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -4.258 -14.158 -8.756 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -2.866 -15.417 -10.413 1.00 0.00 C ATOM 0 H LEU A 70 0.141 -13.636 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.068 -16.218 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.093 -13.858 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.369 -13.712 -9.001 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.179 -16.019 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.132 -14.631 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.444 -13.983 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.065 -13.207 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.783 -15.870 -10.789 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.658 -14.504 -10.970 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.039 -16.115 -10.539 1.00 0.00 H new ATOM 1056 N GLY A 71 1.159 -15.284 -9.635 1.00 0.00 N ATOM 1057 CA GLY A 71 2.270 -15.923 -10.399 1.00 0.00 C ATOM 1058 C GLY A 71 2.956 -17.177 -9.782 1.00 0.00 C ATOM 1059 O GLY A 71 3.018 -18.212 -10.449 1.00 0.00 O ATOM 0 H GLY A 71 1.203 -14.265 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.883 -16.202 -11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.039 -15.168 -10.563 1.00 0.00 H new ATOM 1063 N LEU A 72 3.413 -17.108 -8.513 1.00 0.00 N ATOM 1064 CA LEU A 72 3.965 -18.278 -7.782 1.00 0.00 C ATOM 1065 C LEU A 72 2.972 -19.458 -7.525 1.00 0.00 C ATOM 1066 O LEU A 72 3.285 -20.606 -7.852 1.00 0.00 O ATOM 1067 CB LEU A 72 4.654 -17.836 -6.458 1.00 0.00 C ATOM 1068 CG LEU A 72 5.675 -18.869 -5.910 1.00 0.00 C ATOM 1069 CD1 LEU A 72 6.896 -19.113 -6.823 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.187 -18.431 -4.531 1.00 0.00 C ATOM 0 H LEU A 72 3.412 -16.247 -7.966 1.00 0.00 H new ATOM 0 HA LEU A 72 4.704 -18.693 -8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.164 -16.887 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.889 -17.659 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 72 5.123 -19.807 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.555 -19.848 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.558 -19.486 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.438 -18.178 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.902 -19.164 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.674 -17.460 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.349 -18.357 -3.838 1.00 0.00 H new ATOM 1082 N TYR A 73 1.789 -19.159 -6.958 1.00 0.00 N ATOM 1083 CA TYR A 73 0.625 -20.086 -6.876 1.00 0.00 C ATOM 1084 C TYR A 73 0.296 -20.922 -8.152 1.00 0.00 C ATOM 1085 O TYR A 73 0.110 -22.137 -8.072 1.00 0.00 O ATOM 1086 CB TYR A 73 -0.591 -19.263 -6.374 1.00 0.00 C ATOM 1087 CG TYR A 73 -1.831 -20.085 -5.981 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -1.846 -20.827 -4.796 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -2.953 -20.100 -6.816 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -2.975 -21.559 -4.439 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -4.088 -20.817 -6.445 1.00 0.00 C ATOM 1092 CZ TYR A 73 -4.096 -21.550 -5.260 1.00 0.00 C ATOM 1093 OH TYR A 73 -5.210 -22.263 -4.900 1.00 0.00 O ATOM 0 H TYR A 73 1.603 -18.251 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 73 0.898 -20.874 -6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.278 -18.675 -5.511 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.877 -18.557 -7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.977 -20.832 -4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.939 -19.556 -7.749 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.980 -22.134 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.964 -20.805 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.905 -22.150 -5.582 1.00 0.00 H new ATOM 1103 N VAL A 74 0.251 -20.251 -9.308 1.00 0.00 N ATOM 1104 CA VAL A 74 0.007 -20.903 -10.626 1.00 0.00 C ATOM 1105 C VAL A 74 1.249 -21.719 -11.137 1.00 0.00 C ATOM 1106 O VAL A 74 1.053 -22.823 -11.647 1.00 0.00 O ATOM 1107 CB VAL A 74 -0.597 -19.873 -11.645 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -0.872 -20.479 -13.039 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -1.940 -19.250 -11.178 1.00 0.00 C ATOM 0 H VAL A 74 0.381 -19.241 -9.370 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.756 -21.672 -10.505 1.00 0.00 H new ATOM 0 HB VAL A 74 0.179 -19.110 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.288 -19.713 -13.693 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.060 -20.852 -13.464 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.582 -21.301 -12.945 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.297 -18.548 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.678 -20.040 -11.038 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.789 -18.724 -10.235 1.00 0.00 H new ATOM 1119 N MET A 75 2.496 -21.227 -10.980 1.00 0.00 N ATOM 1120 CA MET A 75 3.738 -21.998 -11.282 1.00 0.00 C ATOM 1121 C MET A 75 3.918 -23.341 -10.490 1.00 0.00 C ATOM 1122 O MET A 75 4.204 -24.363 -11.120 1.00 0.00 O ATOM 1123 CB MET A 75 4.932 -21.011 -11.130 1.00 0.00 C ATOM 1124 CG MET A 75 6.303 -21.512 -11.626 1.00 0.00 C ATOM 1125 SD MET A 75 7.013 -22.696 -10.462 1.00 0.00 S ATOM 1126 CE MET A 75 8.538 -23.119 -11.324 1.00 0.00 C ATOM 0 H MET A 75 2.679 -20.283 -10.640 1.00 0.00 H new ATOM 0 HA MET A 75 3.675 -22.372 -12.304 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.688 -20.095 -11.668 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.025 -20.747 -10.076 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.192 -21.979 -12.605 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.980 -20.667 -11.751 1.00 0.00 H new ATOM 0 HE1 MET A 75 9.099 -23.845 -10.736 1.00 0.00 H new ATOM 0 HE2 MET A 75 8.299 -23.547 -12.297 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.140 -22.221 -11.461 1.00 0.00 H new ATOM 1136 N PHE A 76 3.769 -23.354 -9.147 1.00 0.00 N ATOM 1137 CA PHE A 76 3.895 -24.602 -8.334 1.00 0.00 C ATOM 1138 C PHE A 76 2.673 -25.576 -8.403 1.00 0.00 C ATOM 1139 O PHE A 76 2.881 -26.785 -8.537 1.00 0.00 O ATOM 1140 CB PHE A 76 4.331 -24.228 -6.886 1.00 0.00 C ATOM 1141 CG PHE A 76 4.738 -25.410 -5.978 1.00 0.00 C ATOM 1142 CD1 PHE A 76 5.919 -26.115 -6.241 1.00 0.00 C ATOM 1143 CD2 PHE A 76 3.924 -25.816 -4.912 1.00 0.00 C ATOM 1144 CE1 PHE A 76 6.267 -27.220 -5.467 1.00 0.00 C ATOM 1145 CE2 PHE A 76 4.270 -26.927 -4.148 1.00 0.00 C ATOM 1146 CZ PHE A 76 5.442 -27.625 -4.422 1.00 0.00 C ATOM 0 H PHE A 76 3.562 -22.521 -8.596 1.00 0.00 H new ATOM 0 HA PHE A 76 4.678 -25.207 -8.791 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.171 -23.536 -6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.511 -23.693 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.564 -25.800 -7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.024 -25.265 -4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.177 -27.762 -5.678 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.628 -27.248 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.712 -28.482 -3.823 1.00 0.00 H new