USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 1.41 (180deg=0.351) USER MOD Single : A 3 ASN : amide:sc= -0.069 X(o=-0.069,f=-0.31) 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 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -154:sc= -0.0296 (180deg=-0.242) USER MOD Single : A 17 MET CE :methyl -159:sc= 0 (180deg=-0.17) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -3.66! C(o=-3.7!,f=-10!) USER MOD Single : A 51 THR OG1 : rot 107:sc= 0.358 USER MOD Single : A 52 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -3.99! C(o=-4!,f=-4.5!) 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 1 N MET A 1 -7.670 -34.052 0.157 1.00 0.00 N ATOM 2 CA MET A 1 -6.530 -33.158 0.053 1.00 0.00 C ATOM 3 C MET A 1 -6.919 -31.727 0.429 1.00 0.00 C ATOM 4 O MET A 1 -7.297 -30.935 -0.433 1.00 0.00 O ATOM 5 CB MET A 1 -5.992 -33.181 -1.379 1.00 0.00 C ATOM 6 CG MET A 1 -5.325 -34.522 -1.693 1.00 0.00 C ATOM 7 SD MET A 1 -6.553 -35.708 -2.212 1.00 0.00 S ATOM 8 CE MET A 1 -5.557 -36.743 -3.271 1.00 0.00 C ATOM 0 H1 MET A 1 -7.595 -34.795 -0.567 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.684 -34.488 1.101 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.548 -33.514 0.011 1.00 0.00 H new ATOM 0 HA MET A 1 -5.760 -33.499 0.745 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.807 -33.003 -2.080 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.273 -32.373 -1.514 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.579 -34.392 -2.477 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.800 -34.892 -0.812 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.173 -37.542 -3.683 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.148 -36.144 -4.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.740 -37.176 -2.693 1.00 0.00 H new ATOM 18 N GLU A 2 -6.813 -31.438 1.718 1.00 0.00 N ATOM 19 CA GLU A 2 -7.149 -30.117 2.220 1.00 0.00 C ATOM 20 C GLU A 2 -6.038 -29.598 3.134 1.00 0.00 C ATOM 21 O GLU A 2 -6.202 -28.573 3.796 1.00 0.00 O ATOM 22 CB GLU A 2 -8.495 -30.132 2.946 1.00 0.00 C ATOM 23 CG GLU A 2 -9.602 -29.553 2.062 1.00 0.00 C ATOM 24 CD GLU A 2 -10.815 -29.144 2.900 1.00 0.00 C ATOM 25 OE1 GLU A 2 -11.590 -30.010 3.333 1.00 0.00 O ATOM 26 OE2 GLU A 2 -10.939 -27.875 3.098 1.00 0.00 O ATOM 0 H GLU A 2 -6.499 -32.097 2.430 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.240 -29.440 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.748 -31.154 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.421 -29.555 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.223 -28.688 1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.902 -30.291 1.318 1.00 0.00 H new ATOM 34 N ASN A 3 -4.932 -30.328 3.144 1.00 0.00 N ATOM 35 CA ASN A 3 -3.795 -29.955 3.966 1.00 0.00 C ATOM 36 C ASN A 3 -2.519 -30.547 3.365 1.00 0.00 C ATOM 37 O ASN A 3 -1.587 -30.889 4.091 1.00 0.00 O ATOM 38 CB ASN A 3 -3.943 -30.496 5.390 1.00 0.00 C ATOM 39 CG ASN A 3 -4.727 -29.519 6.269 1.00 0.00 C ATOM 40 OD1 ASN A 3 -4.420 -28.342 6.359 1.00 0.00 O ATOM 41 ND2 ASN A 3 -5.752 -30.072 6.910 1.00 0.00 N ATOM 0 H ASN A 3 -4.800 -31.177 2.595 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.745 -28.867 3.997 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.453 -31.459 5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -2.957 -30.668 5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.337 -29.504 7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.953 -31.065 6.789 1.00 0.00 H new ATOM 48 N LEU A 4 -2.519 -30.652 2.044 1.00 0.00 N ATOM 49 CA LEU A 4 -1.373 -31.198 1.337 1.00 0.00 C ATOM 50 C LEU A 4 -1.126 -30.382 0.067 1.00 0.00 C ATOM 51 O LEU A 4 -0.076 -29.758 -0.080 1.00 0.00 O ATOM 52 CB LEU A 4 -1.565 -32.695 1.078 1.00 0.00 C ATOM 53 CG LEU A 4 -0.295 -33.492 0.777 1.00 0.00 C ATOM 54 CD1 LEU A 4 0.527 -33.713 2.048 1.00 0.00 C ATOM 55 CD2 LEU A 4 -0.629 -34.809 0.073 1.00 0.00 C ATOM 0 H LEU A 4 -3.294 -30.368 1.445 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.475 -31.116 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.048 -33.135 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.252 -32.813 0.240 1.00 0.00 H new ATOM 0 HG LEU A 4 0.321 -32.909 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.425 -34.282 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.811 -32.749 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.068 -34.266 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.291 -35.357 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.275 -35.410 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.141 -34.600 -0.866 1.00 0.00 H new ATOM 67 N ASN A 5 -2.111 -30.411 -0.818 1.00 0.00 N ATOM 68 CA ASN A 5 -2.014 -29.681 -2.071 1.00 0.00 C ATOM 69 C ASN A 5 -2.386 -28.217 -1.833 1.00 0.00 C ATOM 70 O ASN A 5 -1.756 -27.315 -2.381 1.00 0.00 O ATOM 71 CB ASN A 5 -2.977 -30.250 -3.116 1.00 0.00 C ATOM 72 CG ASN A 5 -2.257 -31.226 -4.051 1.00 0.00 C ATOM 73 OD1 ASN A 5 -1.867 -32.317 -3.671 1.00 0.00 O ATOM 74 ND2 ASN A 5 -2.103 -30.771 -5.291 1.00 0.00 N ATOM 0 H ASN A 5 -2.981 -30.929 -0.692 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.991 -29.772 -2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.801 -30.760 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.411 -29.436 -3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.634 -31.346 -5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.454 -29.847 -5.542 1.00 0.00 H new ATOM 81 N MET A 6 -3.411 -28.025 -1.014 1.00 0.00 N ATOM 82 CA MET A 6 -3.875 -26.686 -0.697 1.00 0.00 C ATOM 83 C MET A 6 -2.712 -25.792 -0.261 1.00 0.00 C ATOM 84 O MET A 6 -2.509 -24.716 -0.820 1.00 0.00 O ATOM 85 CB MET A 6 -4.913 -26.757 0.425 1.00 0.00 C ATOM 86 CG MET A 6 -6.289 -26.309 -0.072 1.00 0.00 C ATOM 87 SD MET A 6 -7.457 -26.317 1.277 1.00 0.00 S ATOM 88 CE MET A 6 -7.408 -24.594 1.740 1.00 0.00 C ATOM 0 H MET A 6 -3.933 -28.775 -0.561 1.00 0.00 H new ATOM 0 HA MET A 6 -4.324 -26.256 -1.592 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.974 -27.777 0.805 1.00 0.00 H new ATOM 0 HB3 MET A 6 -4.599 -26.125 1.256 1.00 0.00 H new ATOM 0 HG2 MET A 6 -6.222 -25.309 -0.500 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.632 -26.973 -0.865 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.086 -24.423 2.576 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.394 -24.325 2.034 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.715 -23.981 0.893 1.00 0.00 H new ATOM 98 N ASP A 7 -1.980 -26.271 0.734 1.00 0.00 N ATOM 99 CA ASP A 7 -0.844 -25.528 1.252 1.00 0.00 C ATOM 100 C ASP A 7 -0.082 -24.893 0.087 1.00 0.00 C ATOM 101 O ASP A 7 0.279 -23.719 0.143 1.00 0.00 O ATOM 102 CB ASP A 7 0.121 -26.449 2.001 1.00 0.00 C ATOM 103 CG ASP A 7 -0.546 -27.471 2.924 1.00 0.00 C ATOM 104 OD1 ASP A 7 -1.670 -27.260 3.405 1.00 0.00 O ATOM 105 OD2 ASP A 7 0.145 -28.538 3.146 1.00 0.00 O ATOM 0 H ASP A 7 -2.152 -27.164 1.195 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.222 -24.768 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.730 -26.983 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.799 -25.835 2.593 1.00 0.00 H new ATOM 111 N LEU A 8 0.140 -25.698 -0.942 1.00 0.00 N ATOM 112 CA LEU A 8 0.852 -25.229 -2.118 1.00 0.00 C ATOM 113 C LEU A 8 0.055 -24.101 -2.777 1.00 0.00 C ATOM 114 O LEU A 8 0.506 -22.957 -2.814 1.00 0.00 O ATOM 115 CB LEU A 8 1.159 -26.396 -3.060 1.00 0.00 C ATOM 116 CG LEU A 8 1.767 -26.025 -4.414 1.00 0.00 C ATOM 117 CD1 LEU A 8 2.969 -26.914 -4.737 1.00 0.00 C ATOM 118 CD2 LEU A 8 0.710 -26.064 -5.520 1.00 0.00 C ATOM 0 H LEU A 8 -0.161 -26.672 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 8 1.819 -24.813 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.842 -27.077 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.235 -26.946 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 8 2.132 -25.000 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.382 -26.629 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.730 -26.791 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.652 -27.956 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.169 -25.796 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.292 -27.068 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.085 -25.355 -5.289 1.00 0.00 H new ATOM 130 N LEU A 9 -1.116 -24.463 -3.279 1.00 0.00 N ATOM 131 CA LEU A 9 -1.980 -23.496 -3.934 1.00 0.00 C ATOM 132 C LEU A 9 -1.947 -22.179 -3.155 1.00 0.00 C ATOM 133 O LEU A 9 -1.501 -21.157 -3.675 1.00 0.00 O ATOM 134 CB LEU A 9 -3.388 -24.069 -4.112 1.00 0.00 C ATOM 135 CG LEU A 9 -4.206 -23.491 -5.270 1.00 0.00 C ATOM 136 CD1 LEU A 9 -4.175 -24.424 -6.481 1.00 0.00 C ATOM 137 CD2 LEU A 9 -5.635 -23.173 -4.826 1.00 0.00 C ATOM 0 H LEU A 9 -1.487 -25.413 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.618 -23.282 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.305 -25.147 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.943 -23.911 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.748 -22.551 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.764 -23.990 -7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.145 -24.556 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.594 -25.392 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.195 -22.764 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.119 -24.085 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.611 -22.443 -4.017 1.00 0.00 H new ATOM 149 N TYR A 10 -2.424 -22.246 -1.921 1.00 0.00 N ATOM 150 CA TYR A 10 -2.454 -21.072 -1.066 1.00 0.00 C ATOM 151 C TYR A 10 -1.208 -20.209 -1.275 1.00 0.00 C ATOM 152 O TYR A 10 -1.315 -19.008 -1.517 1.00 0.00 O ATOM 153 CB TYR A 10 -2.460 -21.597 0.372 1.00 0.00 C ATOM 154 CG TYR A 10 -2.452 -20.499 1.436 1.00 0.00 C ATOM 155 CD1 TYR A 10 -1.268 -19.874 1.774 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.628 -20.132 2.058 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.260 -18.840 2.776 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.619 -19.097 3.061 1.00 0.00 C ATOM 159 CZ TYR A 10 -2.436 -18.502 3.370 1.00 0.00 C ATOM 160 OH TYR A 10 -2.429 -17.525 4.315 1.00 0.00 O ATOM 0 H TYR A 10 -2.793 -23.095 -1.493 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.325 -20.457 -1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.342 -22.222 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.589 -22.236 0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.348 -20.161 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.554 -20.620 1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.341 -18.344 3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.532 -18.801 3.556 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.339 -17.389 4.652 1.00 0.00 H new ATOM 170 N MET A 11 -0.056 -20.855 -1.173 1.00 0.00 N ATOM 171 CA MET A 11 1.208 -20.162 -1.348 1.00 0.00 C ATOM 172 C MET A 11 1.220 -19.362 -2.653 1.00 0.00 C ATOM 173 O MET A 11 1.357 -18.139 -2.635 1.00 0.00 O ATOM 174 CB MET A 11 2.352 -21.179 -1.362 1.00 0.00 C ATOM 175 CG MET A 11 3.711 -20.477 -1.318 1.00 0.00 C ATOM 176 SD MET A 11 4.945 -21.487 -2.120 1.00 0.00 S ATOM 177 CE MET A 11 4.828 -20.855 -3.786 1.00 0.00 C ATOM 0 H MET A 11 0.028 -21.851 -0.971 1.00 0.00 H new ATOM 0 HA MET A 11 1.337 -19.468 -0.517 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.257 -21.850 -0.508 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.285 -21.794 -2.259 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.645 -19.508 -1.812 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.999 -20.289 -0.284 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.537 -21.381 -4.425 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.817 -21.008 -4.163 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.058 -19.790 -3.788 1.00 0.00 H new ATOM 187 N ALA A 12 1.074 -20.085 -3.754 1.00 0.00 N ATOM 188 CA ALA A 12 1.065 -19.458 -5.064 1.00 0.00 C ATOM 189 C ALA A 12 0.075 -18.292 -5.061 1.00 0.00 C ATOM 190 O ALA A 12 0.367 -17.224 -5.598 1.00 0.00 O ATOM 191 CB ALA A 12 0.727 -20.505 -6.128 1.00 0.00 C ATOM 0 H ALA A 12 0.961 -21.099 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 12 2.049 -19.054 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.720 -20.035 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.475 -21.297 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.256 -20.929 -5.922 1.00 0.00 H new ATOM 197 N ALA A 13 -1.074 -18.533 -4.448 1.00 0.00 N ATOM 198 CA ALA A 13 -2.107 -17.516 -4.367 1.00 0.00 C ATOM 199 C ALA A 13 -1.563 -16.300 -3.614 1.00 0.00 C ATOM 200 O ALA A 13 -1.203 -15.296 -4.225 1.00 0.00 O ATOM 201 CB ALA A 13 -3.353 -18.104 -3.702 1.00 0.00 C ATOM 0 H ALA A 13 -1.312 -19.419 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.396 -17.184 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.128 -17.340 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.718 -18.945 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.102 -18.447 -2.698 1.00 0.00 H new ATOM 207 N ALA A 14 -1.520 -16.432 -2.296 1.00 0.00 N ATOM 208 CA ALA A 14 -1.025 -15.358 -1.452 1.00 0.00 C ATOM 209 C ALA A 14 0.178 -14.697 -2.129 1.00 0.00 C ATOM 210 O ALA A 14 0.135 -13.513 -2.461 1.00 0.00 O ATOM 211 CB ALA A 14 -0.683 -15.912 -0.068 1.00 0.00 C ATOM 0 H ALA A 14 -1.820 -17.267 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.789 -14.593 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.312 -15.106 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.577 -16.344 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.084 -16.681 -0.163 1.00 0.00 H new ATOM 217 N VAL A 15 1.223 -15.490 -2.313 1.00 0.00 N ATOM 218 CA VAL A 15 2.436 -14.996 -2.943 1.00 0.00 C ATOM 219 C VAL A 15 2.062 -14.075 -4.105 1.00 0.00 C ATOM 220 O VAL A 15 2.509 -12.930 -4.163 1.00 0.00 O ATOM 221 CB VAL A 15 3.318 -16.171 -3.371 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.378 -15.721 -4.379 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.964 -16.842 -2.157 1.00 0.00 C ATOM 0 H VAL A 15 1.255 -16.471 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 15 3.022 -14.407 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 15 2.682 -16.908 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.992 -16.575 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.889 -15.311 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.009 -14.957 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.585 -17.674 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.581 -16.117 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.186 -17.214 -1.490 1.00 0.00 H new ATOM 233 N MET A 16 1.246 -14.608 -5.002 1.00 0.00 N ATOM 234 CA MET A 16 0.807 -13.847 -6.160 1.00 0.00 C ATOM 235 C MET A 16 0.134 -12.540 -5.734 1.00 0.00 C ATOM 236 O MET A 16 0.420 -11.480 -6.289 1.00 0.00 O ATOM 237 CB MET A 16 -0.177 -14.685 -6.978 1.00 0.00 C ATOM 238 CG MET A 16 0.533 -15.384 -8.140 1.00 0.00 C ATOM 239 SD MET A 16 0.308 -14.449 -9.644 1.00 0.00 S ATOM 240 CE MET A 16 -1.389 -14.862 -10.015 1.00 0.00 C ATOM 0 H MET A 16 0.877 -15.558 -4.951 1.00 0.00 H new ATOM 0 HA MET A 16 1.681 -13.604 -6.764 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.649 -15.428 -6.336 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.971 -14.046 -7.364 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.596 -15.484 -7.920 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.137 -16.392 -8.266 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.559 -14.772 -11.088 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.591 -15.886 -9.700 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.054 -14.181 -9.484 1.00 0.00 H new ATOM 250 N MET A 17 -0.747 -12.658 -4.753 1.00 0.00 N ATOM 251 CA MET A 17 -1.464 -11.500 -4.246 1.00 0.00 C ATOM 252 C MET A 17 -0.491 -10.432 -3.739 1.00 0.00 C ATOM 253 O MET A 17 -0.476 -9.311 -4.245 1.00 0.00 O ATOM 254 CB MET A 17 -2.390 -11.929 -3.106 1.00 0.00 C ATOM 255 CG MET A 17 -3.602 -12.692 -3.643 1.00 0.00 C ATOM 256 SD MET A 17 -4.730 -13.061 -2.309 1.00 0.00 S ATOM 257 CE MET A 17 -5.133 -14.754 -2.705 1.00 0.00 C ATOM 0 H MET A 17 -0.981 -13.539 -4.295 1.00 0.00 H new ATOM 0 HA MET A 17 -2.050 -11.075 -5.061 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.842 -12.557 -2.404 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.724 -11.051 -2.554 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.108 -12.098 -4.404 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.278 -13.616 -4.122 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.075 -15.025 -2.227 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.230 -14.862 -3.785 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.341 -15.410 -2.344 1.00 0.00 H new ATOM 267 N GLY A 18 0.298 -10.819 -2.748 1.00 0.00 N ATOM 268 CA GLY A 18 1.271 -9.910 -2.167 1.00 0.00 C ATOM 269 C GLY A 18 2.071 -9.194 -3.258 1.00 0.00 C ATOM 270 O GLY A 18 2.318 -7.993 -3.164 1.00 0.00 O ATOM 0 H GLY A 18 0.283 -11.750 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.761 -9.176 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.949 -10.464 -1.518 1.00 0.00 H new ATOM 274 N LEU A 19 2.454 -9.963 -4.268 1.00 0.00 N ATOM 275 CA LEU A 19 3.221 -9.417 -5.374 1.00 0.00 C ATOM 276 C LEU A 19 2.391 -8.346 -6.084 1.00 0.00 C ATOM 277 O LEU A 19 2.705 -7.159 -6.004 1.00 0.00 O ATOM 278 CB LEU A 19 3.698 -10.538 -6.300 1.00 0.00 C ATOM 279 CG LEU A 19 5.071 -11.133 -5.980 1.00 0.00 C ATOM 280 CD1 LEU A 19 5.114 -11.680 -4.552 1.00 0.00 C ATOM 281 CD2 LEU A 19 5.464 -12.191 -7.012 1.00 0.00 C ATOM 0 H LEU A 19 2.247 -10.959 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 19 4.125 -8.931 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.961 -11.341 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.719 -10.155 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 19 5.811 -10.335 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.101 -12.097 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.911 -10.874 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.361 -12.460 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.444 -12.598 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.726 -12.994 -7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.502 -11.737 -8.002 1.00 0.00 H new ATOM 293 N ALA A 20 1.349 -8.802 -6.763 1.00 0.00 N ATOM 294 CA ALA A 20 0.473 -7.897 -7.487 1.00 0.00 C ATOM 295 C ALA A 20 0.194 -6.665 -6.624 1.00 0.00 C ATOM 296 O ALA A 20 0.566 -5.550 -6.987 1.00 0.00 O ATOM 297 CB ALA A 20 -0.809 -8.635 -7.882 1.00 0.00 C ATOM 0 H ALA A 20 1.092 -9.787 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 20 0.949 -7.555 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.467 -7.957 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.559 -9.484 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.315 -8.990 -6.985 1.00 0.00 H new ATOM 303 N ALA A 21 -0.459 -6.907 -5.496 1.00 0.00 N ATOM 304 CA ALA A 21 -0.791 -5.831 -4.578 1.00 0.00 C ATOM 305 C ALA A 21 0.400 -4.879 -4.461 1.00 0.00 C ATOM 306 O ALA A 21 0.277 -3.689 -4.743 1.00 0.00 O ATOM 307 CB ALA A 21 -1.202 -6.421 -3.227 1.00 0.00 C ATOM 0 H ALA A 21 -0.767 -7.833 -5.198 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.637 -5.255 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.451 -5.614 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.071 -7.065 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.377 -7.005 -2.819 1.00 0.00 H new ATOM 313 N ILE A 22 1.526 -5.440 -4.044 1.00 0.00 N ATOM 314 CA ILE A 22 2.739 -4.656 -3.887 1.00 0.00 C ATOM 315 C ILE A 22 2.920 -3.754 -5.108 1.00 0.00 C ATOM 316 O ILE A 22 3.158 -2.556 -4.970 1.00 0.00 O ATOM 317 CB ILE A 22 3.935 -5.570 -3.614 1.00 0.00 C ATOM 318 CG1 ILE A 22 3.925 -6.069 -2.168 1.00 0.00 C ATOM 319 CG2 ILE A 22 5.250 -4.873 -3.970 1.00 0.00 C ATOM 320 CD1 ILE A 22 4.755 -7.347 -2.022 1.00 0.00 C ATOM 0 H ILE A 22 1.623 -6.428 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 22 2.661 -4.003 -3.018 1.00 0.00 H new ATOM 0 HB ILE A 22 3.849 -6.446 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.322 -5.296 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.899 -6.259 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.084 -5.544 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.247 -4.608 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.357 -3.969 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.731 -7.680 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.340 -8.125 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.786 -7.147 -2.315 1.00 0.00 H new ATOM 332 N GLY A 23 2.801 -4.365 -6.279 1.00 0.00 N ATOM 333 CA GLY A 23 2.950 -3.631 -7.524 1.00 0.00 C ATOM 334 C GLY A 23 2.117 -2.348 -7.507 1.00 0.00 C ATOM 335 O GLY A 23 2.665 -1.248 -7.564 1.00 0.00 O ATOM 0 H GLY A 23 2.603 -5.359 -6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.000 -3.385 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.641 -4.259 -8.360 1.00 0.00 H new ATOM 339 N ASP A 24 0.807 -2.531 -7.427 1.00 0.00 N ATOM 340 CA ASP A 24 -0.106 -1.401 -7.401 1.00 0.00 C ATOM 341 C ASP A 24 0.279 -0.465 -6.254 1.00 0.00 C ATOM 342 O ASP A 24 0.653 0.684 -6.483 1.00 0.00 O ATOM 343 CB ASP A 24 -1.546 -1.862 -7.172 1.00 0.00 C ATOM 344 CG ASP A 24 -2.541 -1.443 -8.256 1.00 0.00 C ATOM 345 OD1 ASP A 24 -2.169 -1.247 -9.423 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.760 -1.313 -7.856 1.00 0.00 O ATOM 0 H ASP A 24 0.356 -3.445 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.039 -0.892 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.555 -2.949 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.889 -1.470 -6.215 1.00 0.00 H new ATOM 352 N ALA A 25 0.174 -0.992 -5.042 1.00 0.00 N ATOM 353 CA ALA A 25 0.508 -0.218 -3.859 1.00 0.00 C ATOM 354 C ALA A 25 1.764 0.611 -4.133 1.00 0.00 C ATOM 355 O ALA A 25 1.937 1.688 -3.565 1.00 0.00 O ATOM 356 CB ALA A 25 0.679 -1.159 -2.664 1.00 0.00 C ATOM 0 H ALA A 25 -0.137 -1.945 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.297 0.476 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.930 -0.578 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.251 -1.701 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.480 -1.869 -2.871 1.00 0.00 H new ATOM 362 N ILE A 26 2.608 0.076 -5.003 1.00 0.00 N ATOM 363 CA ILE A 26 3.843 0.754 -5.360 1.00 0.00 C ATOM 364 C ILE A 26 3.538 1.866 -6.365 1.00 0.00 C ATOM 365 O ILE A 26 3.948 3.010 -6.174 1.00 0.00 O ATOM 366 CB ILE A 26 4.883 -0.253 -5.854 1.00 0.00 C ATOM 367 CG1 ILE A 26 5.827 -0.667 -4.721 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.644 0.291 -7.064 1.00 0.00 C ATOM 369 CD1 ILE A 26 7.216 -1.008 -5.263 1.00 0.00 C ATOM 0 H ILE A 26 2.461 -0.818 -5.471 1.00 0.00 H new ATOM 0 HA ILE A 26 4.284 1.229 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 26 4.359 -1.151 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.905 0.141 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.415 -1.529 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.377 -0.445 -7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.943 0.494 -7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.155 1.213 -6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.867 -1.299 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.138 -1.832 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.635 -0.136 -5.766 1.00 0.00 H new ATOM 381 N GLY A 27 2.822 1.491 -7.415 1.00 0.00 N ATOM 382 CA GLY A 27 2.457 2.441 -8.451 1.00 0.00 C ATOM 383 C GLY A 27 2.194 3.827 -7.856 1.00 0.00 C ATOM 384 O GLY A 27 2.668 4.832 -8.383 1.00 0.00 O ATOM 0 H GLY A 27 2.485 0.541 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.256 2.504 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.567 2.091 -8.974 1.00 0.00 H new ATOM 388 N ILE A 28 1.440 3.834 -6.766 1.00 0.00 N ATOM 389 CA ILE A 28 1.108 5.079 -6.095 1.00 0.00 C ATOM 390 C ILE A 28 2.331 5.576 -5.322 1.00 0.00 C ATOM 391 O ILE A 28 2.712 6.740 -5.439 1.00 0.00 O ATOM 392 CB ILE A 28 -0.140 4.903 -5.227 1.00 0.00 C ATOM 393 CG1 ILE A 28 -1.037 3.791 -5.775 1.00 0.00 C ATOM 394 CG2 ILE A 28 -0.893 6.226 -5.076 1.00 0.00 C ATOM 395 CD1 ILE A 28 -0.819 2.485 -5.010 1.00 0.00 C ATOM 0 H ILE A 28 1.050 2.998 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 28 0.855 5.850 -6.823 1.00 0.00 H new ATOM 0 HB ILE A 28 0.177 4.598 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.082 4.091 -5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.826 3.637 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.776 6.073 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.242 6.964 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.199 6.585 -6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.468 1.711 -5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.221 2.175 -5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.054 2.637 -3.957 1.00 0.00 H new ATOM 407 N GLY A 29 2.911 4.671 -4.547 1.00 0.00 N ATOM 408 CA GLY A 29 4.082 5.004 -3.755 1.00 0.00 C ATOM 409 C GLY A 29 5.098 5.793 -4.582 1.00 0.00 C ATOM 410 O GLY A 29 5.562 6.851 -4.160 1.00 0.00 O ATOM 0 H GLY A 29 2.591 3.707 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.783 5.589 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.544 4.090 -3.381 1.00 0.00 H new ATOM 414 N ILE A 30 5.415 5.248 -5.748 1.00 0.00 N ATOM 415 CA ILE A 30 6.368 5.886 -6.639 1.00 0.00 C ATOM 416 C ILE A 30 5.757 7.175 -7.193 1.00 0.00 C ATOM 417 O ILE A 30 6.475 8.129 -7.487 1.00 0.00 O ATOM 418 CB ILE A 30 6.827 4.909 -7.722 1.00 0.00 C ATOM 419 CG1 ILE A 30 7.418 3.640 -7.102 1.00 0.00 C ATOM 420 CG2 ILE A 30 7.803 5.581 -8.690 1.00 0.00 C ATOM 421 CD1 ILE A 30 8.916 3.806 -6.838 1.00 0.00 C ATOM 0 H ILE A 30 5.028 4.371 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 30 7.269 6.167 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 30 5.954 4.608 -8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.903 3.413 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.254 2.794 -7.770 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.114 4.864 -9.450 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.314 6.429 -9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.678 5.930 -8.141 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.311 2.891 -6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.431 4.009 -7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.074 4.637 -6.151 1.00 0.00 H new ATOM 433 N LEU A 31 4.438 7.161 -7.317 1.00 0.00 N ATOM 434 CA LEU A 31 3.722 8.317 -7.830 1.00 0.00 C ATOM 435 C LEU A 31 3.932 9.501 -6.885 1.00 0.00 C ATOM 436 O LEU A 31 4.108 10.634 -7.333 1.00 0.00 O ATOM 437 CB LEU A 31 2.251 7.974 -8.067 1.00 0.00 C ATOM 438 CG LEU A 31 1.681 8.373 -9.430 1.00 0.00 C ATOM 439 CD1 LEU A 31 0.272 7.808 -9.622 1.00 0.00 C ATOM 440 CD2 LEU A 31 1.720 9.890 -9.618 1.00 0.00 C ATOM 0 H LEU A 31 3.846 6.367 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 31 4.118 8.610 -8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.125 6.898 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.656 8.456 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 31 2.312 7.936 -10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.110 8.106 -10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.305 6.720 -9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.384 8.195 -8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.309 10.146 -10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.128 10.369 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.751 10.238 -9.555 1.00 0.00 H new ATOM 452 N GLY A 32 3.907 9.201 -5.595 1.00 0.00 N ATOM 453 CA GLY A 32 4.093 10.228 -4.583 1.00 0.00 C ATOM 454 C GLY A 32 5.401 10.989 -4.808 1.00 0.00 C ATOM 455 O GLY A 32 5.469 12.195 -4.578 1.00 0.00 O ATOM 0 H GLY A 32 3.761 8.261 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.254 10.924 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.099 9.771 -3.593 1.00 0.00 H new ATOM 459 N GLY A 33 6.408 10.252 -5.254 1.00 0.00 N ATOM 460 CA GLY A 33 7.710 10.843 -5.512 1.00 0.00 C ATOM 461 C GLY A 33 7.721 11.584 -6.850 1.00 0.00 C ATOM 462 O GLY A 33 8.296 12.665 -6.960 1.00 0.00 O ATOM 0 H GLY A 33 6.348 9.251 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.966 11.533 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.472 10.064 -5.518 1.00 0.00 H new ATOM 466 N LYS A 34 7.076 10.973 -7.834 1.00 0.00 N ATOM 467 CA LYS A 34 7.003 11.563 -9.160 1.00 0.00 C ATOM 468 C LYS A 34 6.133 12.819 -9.109 1.00 0.00 C ATOM 469 O LYS A 34 6.071 13.576 -10.077 1.00 0.00 O ATOM 470 CB LYS A 34 6.528 10.527 -10.181 1.00 0.00 C ATOM 471 CG LYS A 34 7.025 10.874 -11.586 1.00 0.00 C ATOM 472 CD LYS A 34 7.017 9.639 -12.491 1.00 0.00 C ATOM 473 CE LYS A 34 8.186 8.709 -12.159 1.00 0.00 C ATOM 474 NZ LYS A 34 9.409 9.138 -12.875 1.00 0.00 N ATOM 0 H LYS A 34 6.600 10.076 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 34 7.993 11.875 -9.493 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.890 9.539 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.439 10.481 -10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.393 11.650 -12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.035 11.281 -11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.076 9.103 -12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.078 9.948 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.367 8.712 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.935 7.686 -12.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.193 8.496 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.238 9.113 -13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.657 10.107 -12.589 1.00 0.00 H new ATOM 488 N PHE A 35 5.483 13.004 -7.969 1.00 0.00 N ATOM 489 CA PHE A 35 4.618 14.157 -7.778 1.00 0.00 C ATOM 490 C PHE A 35 5.371 15.299 -7.093 1.00 0.00 C ATOM 491 O PHE A 35 5.079 16.470 -7.331 1.00 0.00 O ATOM 492 CB PHE A 35 3.466 13.707 -6.878 1.00 0.00 C ATOM 493 CG PHE A 35 2.157 14.462 -7.119 1.00 0.00 C ATOM 494 CD1 PHE A 35 1.727 14.688 -8.389 1.00 0.00 C ATOM 495 CD2 PHE A 35 1.425 14.907 -6.063 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.512 15.389 -8.612 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.209 15.607 -6.287 1.00 0.00 C ATOM 498 CZ PHE A 35 -0.221 15.834 -7.556 1.00 0.00 C ATOM 0 H PHE A 35 5.538 12.375 -7.168 1.00 0.00 H new ATOM 0 HA PHE A 35 4.262 14.520 -8.742 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.293 12.642 -7.032 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.761 13.835 -5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.309 14.335 -9.227 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.768 14.728 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.170 15.569 -9.620 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.374 15.959 -5.449 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.144 16.368 -7.726 1.00 0.00 H new ATOM 508 N LEU A 36 6.324 14.917 -6.255 1.00 0.00 N ATOM 509 CA LEU A 36 7.120 15.895 -5.533 1.00 0.00 C ATOM 510 C LEU A 36 7.731 16.884 -6.528 1.00 0.00 C ATOM 511 O LEU A 36 7.659 18.096 -6.328 1.00 0.00 O ATOM 512 CB LEU A 36 8.154 15.195 -4.648 1.00 0.00 C ATOM 513 CG LEU A 36 7.597 14.406 -3.462 1.00 0.00 C ATOM 514 CD1 LEU A 36 8.728 13.813 -2.618 1.00 0.00 C ATOM 515 CD2 LEU A 36 6.650 15.267 -2.625 1.00 0.00 C ATOM 0 H LEU A 36 6.563 13.945 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 36 6.492 16.472 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.735 14.515 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.845 15.947 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 36 7.013 13.572 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.305 13.257 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.328 13.142 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.358 14.617 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.269 14.681 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.188 16.135 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.817 15.599 -3.245 1.00 0.00 H new ATOM 527 N GLU A 37 8.317 16.330 -7.579 1.00 0.00 N ATOM 528 CA GLU A 37 8.940 17.149 -8.605 1.00 0.00 C ATOM 529 C GLU A 37 7.879 17.954 -9.359 1.00 0.00 C ATOM 530 O GLU A 37 8.104 19.113 -9.704 1.00 0.00 O ATOM 531 CB GLU A 37 9.762 16.289 -9.569 1.00 0.00 C ATOM 532 CG GLU A 37 11.173 16.856 -9.741 1.00 0.00 C ATOM 533 CD GLU A 37 12.194 15.734 -9.941 1.00 0.00 C ATOM 534 OE1 GLU A 37 12.512 15.007 -8.987 1.00 0.00 O ATOM 535 OE2 GLU A 37 12.661 15.628 -11.138 1.00 0.00 O ATOM 0 H GLU A 37 8.374 15.325 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 37 9.622 17.847 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.820 15.268 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.264 16.244 -10.537 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.196 17.530 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.442 17.445 -8.864 1.00 0.00 H new ATOM 543 N GLY A 38 6.746 17.308 -9.590 1.00 0.00 N ATOM 544 CA GLY A 38 5.651 17.949 -10.296 1.00 0.00 C ATOM 545 C GLY A 38 5.124 19.154 -9.513 1.00 0.00 C ATOM 546 O GLY A 38 5.062 20.264 -10.040 1.00 0.00 O ATOM 0 H GLY A 38 6.563 16.347 -9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.988 18.270 -11.282 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.845 17.232 -10.453 1.00 0.00 H new ATOM 550 N ALA A 39 4.758 18.894 -8.265 1.00 0.00 N ATOM 551 CA ALA A 39 4.239 19.943 -7.405 1.00 0.00 C ATOM 552 C ALA A 39 5.347 20.961 -7.125 1.00 0.00 C ATOM 553 O ALA A 39 5.071 22.077 -6.686 1.00 0.00 O ATOM 554 CB ALA A 39 3.681 19.322 -6.123 1.00 0.00 C ATOM 0 H ALA A 39 4.811 17.973 -7.830 1.00 0.00 H new ATOM 0 HA ALA A 39 3.421 20.472 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.291 20.109 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.879 18.628 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.475 18.786 -5.603 1.00 0.00 H new ATOM 560 N ALA A 40 6.575 20.541 -7.390 1.00 0.00 N ATOM 561 CA ALA A 40 7.724 21.402 -7.171 1.00 0.00 C ATOM 562 C ALA A 40 7.506 22.730 -7.900 1.00 0.00 C ATOM 563 O ALA A 40 8.131 23.735 -7.564 1.00 0.00 O ATOM 564 CB ALA A 40 8.995 20.685 -7.634 1.00 0.00 C ATOM 0 H ALA A 40 6.799 19.615 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 40 7.842 21.623 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.857 21.331 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.119 19.762 -7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.914 20.450 -8.695 1.00 0.00 H new ATOM 570 N ARG A 41 6.619 22.691 -8.882 1.00 0.00 N ATOM 571 CA ARG A 41 6.311 23.879 -9.661 1.00 0.00 C ATOM 572 C ARG A 41 5.446 24.840 -8.842 1.00 0.00 C ATOM 573 O ARG A 41 5.476 26.050 -9.064 1.00 0.00 O ATOM 574 CB ARG A 41 5.575 23.516 -10.953 1.00 0.00 C ATOM 575 CG ARG A 41 6.190 24.236 -12.154 1.00 0.00 C ATOM 576 CD ARG A 41 7.283 23.385 -12.803 1.00 0.00 C ATOM 577 NE ARG A 41 8.211 24.249 -13.565 1.00 0.00 N ATOM 578 CZ ARG A 41 9.351 23.810 -14.145 1.00 0.00 C ATOM 579 NH1 ARG A 41 9.710 22.513 -14.053 1.00 0.00 N ATOM 580 NH2 ARG A 41 10.106 24.672 -14.801 1.00 0.00 N ATOM 0 H ARG A 41 6.103 21.855 -9.157 1.00 0.00 H new ATOM 0 HA ARG A 41 7.254 24.361 -9.918 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.618 22.438 -11.110 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.522 23.784 -10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.414 24.457 -12.886 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.609 25.190 -11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.831 22.836 -12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.834 22.646 -13.466 1.00 0.00 H new ATOM 0 HE ARG A 41 7.976 25.237 -13.659 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.120 21.855 -13.543 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.571 22.190 -14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.826 25.651 -14.864 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.969 24.359 -15.245 1.00 0.00 H new ATOM 594 N GLN A 42 4.696 24.266 -7.913 1.00 0.00 N ATOM 595 CA GLN A 42 3.824 25.056 -7.061 1.00 0.00 C ATOM 596 C GLN A 42 4.259 24.936 -5.599 1.00 0.00 C ATOM 597 O GLN A 42 4.119 23.875 -4.992 1.00 0.00 O ATOM 598 CB GLN A 42 2.362 24.640 -7.234 1.00 0.00 C ATOM 599 CG GLN A 42 2.254 23.157 -7.599 1.00 0.00 C ATOM 600 CD GLN A 42 2.558 22.934 -9.082 1.00 0.00 C ATOM 601 OE1 GLN A 42 3.423 22.159 -9.456 1.00 0.00 O ATOM 602 NE2 GLN A 42 1.801 23.656 -9.904 1.00 0.00 N ATOM 0 H GLN A 42 4.674 23.262 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 42 3.907 26.101 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.814 24.832 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.898 25.245 -8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.948 22.578 -6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.252 22.795 -7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.094 24.286 -9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.927 23.579 -10.913 1.00 0.00 H new ATOM 611 N PRO A 43 4.793 26.065 -5.064 1.00 0.00 N ATOM 612 CA PRO A 43 5.250 26.096 -3.684 1.00 0.00 C ATOM 613 C PRO A 43 4.066 26.154 -2.716 1.00 0.00 C ATOM 614 O PRO A 43 4.255 26.194 -1.501 1.00 0.00 O ATOM 615 CB PRO A 43 6.150 27.318 -3.595 1.00 0.00 C ATOM 616 CG PRO A 43 5.799 28.184 -4.794 1.00 0.00 C ATOM 617 CD PRO A 43 4.976 27.339 -5.753 1.00 0.00 C ATOM 0 HA PRO A 43 5.795 25.195 -3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.985 27.857 -2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.201 27.031 -3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.236 29.062 -4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.704 28.544 -5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.018 27.811 -5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.492 27.204 -6.704 1.00 0.00 H new ATOM 625 N ASP A 44 2.873 26.159 -3.290 1.00 0.00 N ATOM 626 CA ASP A 44 1.658 26.212 -2.494 1.00 0.00 C ATOM 627 C ASP A 44 0.933 24.868 -2.588 1.00 0.00 C ATOM 628 O ASP A 44 -0.226 24.755 -2.191 1.00 0.00 O ATOM 629 CB ASP A 44 0.711 27.298 -3.006 1.00 0.00 C ATOM 630 CG ASP A 44 0.495 28.472 -2.049 1.00 0.00 C ATOM 631 OD1 ASP A 44 -0.422 28.457 -1.215 1.00 0.00 O ATOM 632 OD2 ASP A 44 1.329 29.447 -2.186 1.00 0.00 O ATOM 0 H ASP A 44 2.721 26.127 -4.298 1.00 0.00 H new ATOM 0 HA ASP A 44 1.939 26.435 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.100 27.684 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.256 26.843 -3.223 1.00 0.00 H new ATOM 638 N LEU A 45 1.645 23.883 -3.115 1.00 0.00 N ATOM 639 CA LEU A 45 1.084 22.552 -3.267 1.00 0.00 C ATOM 640 C LEU A 45 2.094 21.517 -2.767 1.00 0.00 C ATOM 641 O LEU A 45 1.911 20.318 -2.968 1.00 0.00 O ATOM 642 CB LEU A 45 0.630 22.322 -4.710 1.00 0.00 C ATOM 643 CG LEU A 45 -0.780 22.804 -5.056 1.00 0.00 C ATOM 644 CD1 LEU A 45 -0.757 24.248 -5.561 1.00 0.00 C ATOM 645 CD2 LEU A 45 -1.454 21.858 -6.051 1.00 0.00 C ATOM 0 H LEU A 45 2.606 23.980 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 45 0.188 22.445 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.336 22.820 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.690 21.255 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.379 22.792 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.772 24.566 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.346 24.897 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.137 24.311 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.455 22.224 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.865 21.814 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.523 20.861 -5.616 1.00 0.00 H new ATOM 657 N ILE A 46 3.138 22.019 -2.125 1.00 0.00 N ATOM 658 CA ILE A 46 4.178 21.153 -1.595 1.00 0.00 C ATOM 659 C ILE A 46 3.675 20.483 -0.315 1.00 0.00 C ATOM 660 O ILE A 46 3.733 19.262 -0.184 1.00 0.00 O ATOM 661 CB ILE A 46 5.482 21.932 -1.411 1.00 0.00 C ATOM 662 CG1 ILE A 46 6.416 21.730 -2.605 1.00 0.00 C ATOM 663 CG2 ILE A 46 6.156 21.566 -0.087 1.00 0.00 C ATOM 664 CD1 ILE A 46 7.114 20.370 -2.531 1.00 0.00 C ATOM 0 H ILE A 46 3.287 23.014 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 46 4.407 20.356 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 46 5.242 22.994 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.847 21.801 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.162 22.525 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.081 22.133 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.487 21.804 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.381 20.500 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.772 20.252 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.701 20.312 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.366 19.577 -2.534 1.00 0.00 H new ATOM 676 N PRO A 47 3.180 21.336 0.622 1.00 0.00 N ATOM 677 CA PRO A 47 2.666 20.840 1.888 1.00 0.00 C ATOM 678 C PRO A 47 1.295 20.188 1.705 1.00 0.00 C ATOM 679 O PRO A 47 0.696 19.712 2.670 1.00 0.00 O ATOM 680 CB PRO A 47 2.629 22.055 2.801 1.00 0.00 C ATOM 681 CG PRO A 47 2.680 23.267 1.884 1.00 0.00 C ATOM 682 CD PRO A 47 3.094 22.789 0.502 1.00 0.00 C ATOM 0 HA PRO A 47 3.289 20.055 2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.723 22.061 3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.473 22.051 3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.707 23.756 1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.390 24.002 2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.364 23.081 -0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.050 23.219 0.204 1.00 0.00 H new ATOM 690 N LEU A 48 0.836 20.187 0.463 1.00 0.00 N ATOM 691 CA LEU A 48 -0.455 19.601 0.141 1.00 0.00 C ATOM 692 C LEU A 48 -0.245 18.194 -0.423 1.00 0.00 C ATOM 693 O LEU A 48 -0.795 17.225 0.097 1.00 0.00 O ATOM 694 CB LEU A 48 -1.247 20.524 -0.786 1.00 0.00 C ATOM 695 CG LEU A 48 -2.160 21.542 -0.100 1.00 0.00 C ATOM 696 CD1 LEU A 48 -1.420 22.857 0.156 1.00 0.00 C ATOM 697 CD2 LEU A 48 -3.446 21.754 -0.902 1.00 0.00 C ATOM 0 H LEU A 48 1.335 20.583 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.061 19.497 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.541 21.065 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.856 19.907 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.449 21.141 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.091 23.563 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.559 22.671 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.082 23.275 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.077 22.482 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.198 22.123 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.981 20.808 -0.989 1.00 0.00 H new ATOM 709 N LEU A 49 0.552 18.128 -1.480 1.00 0.00 N ATOM 710 CA LEU A 49 0.842 16.857 -2.120 1.00 0.00 C ATOM 711 C LEU A 49 1.528 15.929 -1.116 1.00 0.00 C ATOM 712 O LEU A 49 1.250 14.731 -1.083 1.00 0.00 O ATOM 713 CB LEU A 49 1.644 17.075 -3.404 1.00 0.00 C ATOM 714 CG LEU A 49 3.146 16.796 -3.312 1.00 0.00 C ATOM 715 CD1 LEU A 49 3.743 16.536 -4.697 1.00 0.00 C ATOM 716 CD2 LEU A 49 3.871 17.926 -2.578 1.00 0.00 C ATOM 0 H LEU A 49 1.006 18.935 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.081 16.366 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.224 16.440 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.505 18.107 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 49 3.288 15.888 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.811 16.341 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.255 15.672 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.589 17.410 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.936 17.702 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.723 18.863 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.471 18.019 -1.568 1.00 0.00 H new ATOM 728 N ARG A 50 2.409 16.517 -0.321 1.00 0.00 N ATOM 729 CA ARG A 50 3.137 15.758 0.681 1.00 0.00 C ATOM 730 C ARG A 50 2.160 15.074 1.641 1.00 0.00 C ATOM 731 O ARG A 50 2.124 13.846 1.722 1.00 0.00 O ATOM 732 CB ARG A 50 4.077 16.662 1.481 1.00 0.00 C ATOM 733 CG ARG A 50 5.526 16.493 1.018 1.00 0.00 C ATOM 734 CD ARG A 50 6.484 16.472 2.211 1.00 0.00 C ATOM 735 NE ARG A 50 6.994 17.836 2.474 1.00 0.00 N ATOM 736 CZ ARG A 50 7.969 18.121 3.364 1.00 0.00 C ATOM 737 NH1 ARG A 50 8.548 17.136 4.084 1.00 0.00 N ATOM 738 NH2 ARG A 50 8.347 19.376 3.518 1.00 0.00 N ATOM 0 H ARG A 50 2.635 17.511 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 50 3.730 15.005 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.773 17.702 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.000 16.424 2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.625 15.567 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.794 17.308 0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.971 16.090 3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.315 15.797 2.009 1.00 0.00 H new ATOM 0 HE ARG A 50 6.584 18.609 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.250 16.169 3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.284 17.359 4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.904 20.113 2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.082 19.609 4.186 1.00 0.00 H new ATOM 752 N THR A 51 1.394 15.896 2.342 1.00 0.00 N ATOM 753 CA THR A 51 0.421 15.385 3.292 1.00 0.00 C ATOM 754 C THR A 51 -0.251 14.126 2.741 1.00 0.00 C ATOM 755 O THR A 51 -0.210 13.070 3.371 1.00 0.00 O ATOM 756 CB THR A 51 -0.565 16.511 3.609 1.00 0.00 C ATOM 757 OG1 THR A 51 0.152 17.360 4.502 1.00 0.00 O ATOM 758 CG2 THR A 51 -1.760 16.027 4.435 1.00 0.00 C ATOM 0 H THR A 51 1.427 16.913 2.271 1.00 0.00 H new ATOM 0 HA THR A 51 0.899 15.080 4.223 1.00 0.00 H new ATOM 0 HB THR A 51 -0.921 16.954 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.418 18.178 4.033 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.429 16.865 4.632 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.297 15.257 3.881 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.406 15.615 5.380 1.00 0.00 H new ATOM 766 N GLN A 52 -0.853 14.278 1.571 1.00 0.00 N ATOM 767 CA GLN A 52 -1.533 13.166 0.928 1.00 0.00 C ATOM 768 C GLN A 52 -0.571 11.991 0.746 1.00 0.00 C ATOM 769 O GLN A 52 -0.805 10.905 1.273 1.00 0.00 O ATOM 770 CB GLN A 52 -2.138 13.594 -0.411 1.00 0.00 C ATOM 771 CG GLN A 52 -3.497 14.266 -0.209 1.00 0.00 C ATOM 772 CD GLN A 52 -4.485 13.845 -1.298 1.00 0.00 C ATOM 773 OE1 GLN A 52 -5.626 13.501 -1.039 1.00 0.00 O ATOM 774 NE2 GLN A 52 -3.984 13.892 -2.530 1.00 0.00 N ATOM 0 H GLN A 52 -0.884 15.155 1.051 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.352 12.843 1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.460 14.281 -0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.251 12.724 -1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.895 14.001 0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.376 15.349 -0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.020 14.189 -2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.564 13.631 -3.327 1.00 0.00 H new ATOM 783 N PHE A 53 0.491 12.247 -0.005 1.00 0.00 N ATOM 784 CA PHE A 53 1.489 11.224 -0.264 1.00 0.00 C ATOM 785 C PHE A 53 1.773 10.404 0.996 1.00 0.00 C ATOM 786 O PHE A 53 1.905 9.182 0.929 1.00 0.00 O ATOM 787 CB PHE A 53 2.769 11.945 -0.689 1.00 0.00 C ATOM 788 CG PHE A 53 4.014 11.055 -0.689 1.00 0.00 C ATOM 789 CD1 PHE A 53 3.965 9.818 -1.251 1.00 0.00 C ATOM 790 CD2 PHE A 53 5.169 11.501 -0.126 1.00 0.00 C ATOM 791 CE1 PHE A 53 5.120 8.992 -1.252 1.00 0.00 C ATOM 792 CE2 PHE A 53 6.324 10.675 -0.126 1.00 0.00 C ATOM 793 CZ PHE A 53 6.275 9.438 -0.689 1.00 0.00 C ATOM 0 H PHE A 53 0.681 13.149 -0.442 1.00 0.00 H new ATOM 0 HA PHE A 53 1.131 10.542 -1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.628 12.355 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.938 12.789 -0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.047 9.464 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.208 12.483 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.081 8.010 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.241 11.029 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.153 8.810 -0.689 1.00 0.00 H new ATOM 803 N PHE A 54 1.857 11.107 2.115 1.00 0.00 N ATOM 804 CA PHE A 54 2.122 10.460 3.388 1.00 0.00 C ATOM 805 C PHE A 54 1.073 9.387 3.688 1.00 0.00 C ATOM 806 O PHE A 54 1.404 8.212 3.827 1.00 0.00 O ATOM 807 CB PHE A 54 2.050 11.543 4.465 1.00 0.00 C ATOM 808 CG PHE A 54 3.015 11.326 5.633 1.00 0.00 C ATOM 809 CD1 PHE A 54 2.821 10.290 6.491 1.00 0.00 C ATOM 810 CD2 PHE A 54 4.066 12.170 5.812 1.00 0.00 C ATOM 811 CE1 PHE A 54 3.716 10.088 7.576 1.00 0.00 C ATOM 812 CE2 PHE A 54 4.961 11.968 6.895 1.00 0.00 C ATOM 813 CZ PHE A 54 4.767 10.932 7.754 1.00 0.00 C ATOM 0 H PHE A 54 1.746 12.120 2.167 1.00 0.00 H new ATOM 0 HA PHE A 54 3.099 9.977 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.261 12.510 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.032 11.589 4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.986 9.620 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.220 12.994 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.562 9.265 8.258 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.796 12.638 7.037 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.448 10.779 8.578 1.00 0.00 H new ATOM 823 N ILE A 55 -0.172 9.833 3.778 1.00 0.00 N ATOM 824 CA ILE A 55 -1.272 8.927 4.059 1.00 0.00 C ATOM 825 C ILE A 55 -1.298 7.821 3.002 1.00 0.00 C ATOM 826 O ILE A 55 -1.636 6.677 3.304 1.00 0.00 O ATOM 827 CB ILE A 55 -2.588 9.700 4.172 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.749 10.306 5.567 1.00 0.00 C ATOM 829 CG2 ILE A 55 -3.777 8.817 3.789 1.00 0.00 C ATOM 830 CD1 ILE A 55 -2.898 11.826 5.492 1.00 0.00 C ATOM 0 H ILE A 55 -0.443 10.810 3.661 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.129 8.443 5.025 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.561 10.527 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.623 9.875 6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.884 10.052 6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.700 9.390 3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.660 8.475 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.820 7.955 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.011 12.231 6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.012 12.256 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.778 12.077 4.899 1.00 0.00 H new ATOM 842 N VAL A 56 -0.937 8.199 1.785 1.00 0.00 N ATOM 843 CA VAL A 56 -0.915 7.254 0.683 1.00 0.00 C ATOM 844 C VAL A 56 0.088 6.140 0.992 1.00 0.00 C ATOM 845 O VAL A 56 -0.240 4.959 0.888 1.00 0.00 O ATOM 846 CB VAL A 56 -0.611 7.984 -0.627 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.667 7.024 -1.817 1.00 0.00 C ATOM 848 CG2 VAL A 56 -1.565 9.164 -0.830 1.00 0.00 C ATOM 0 H VAL A 56 -0.657 9.148 1.538 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.893 6.788 0.561 1.00 0.00 H new ATOM 0 HB VAL A 56 0.403 8.378 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.447 7.569 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.069 6.232 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.663 6.586 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.328 9.666 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.592 8.800 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.455 9.867 -0.004 1.00 0.00 H new ATOM 858 N MET A 57 1.289 6.556 1.365 1.00 0.00 N ATOM 859 CA MET A 57 2.341 5.608 1.691 1.00 0.00 C ATOM 860 C MET A 57 1.844 4.558 2.686 1.00 0.00 C ATOM 861 O MET A 57 2.185 3.381 2.575 1.00 0.00 O ATOM 862 CB MET A 57 3.534 6.355 2.290 1.00 0.00 C ATOM 863 CG MET A 57 4.808 5.514 2.201 1.00 0.00 C ATOM 864 SD MET A 57 6.196 6.437 2.840 1.00 0.00 S ATOM 865 CE MET A 57 6.782 5.297 4.083 1.00 0.00 C ATOM 0 H MET A 57 1.557 7.537 1.449 1.00 0.00 H new ATOM 0 HA MET A 57 2.642 5.099 0.775 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.679 7.298 1.763 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.328 6.600 3.332 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.684 4.590 2.766 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.995 5.231 1.165 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.653 5.720 4.583 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.994 5.120 4.815 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.057 4.354 3.611 1.00 0.00 H new ATOM 875 N GLY A 58 1.046 5.020 3.637 1.00 0.00 N ATOM 876 CA GLY A 58 0.500 4.135 4.652 1.00 0.00 C ATOM 877 C GLY A 58 -0.418 3.082 4.024 1.00 0.00 C ATOM 878 O GLY A 58 -0.077 1.902 3.984 1.00 0.00 O ATOM 0 H GLY A 58 0.764 5.996 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.313 3.643 5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.057 4.717 5.386 1.00 0.00 H new ATOM 882 N LEU A 59 -1.564 3.550 3.551 1.00 0.00 N ATOM 883 CA LEU A 59 -2.533 2.665 2.928 1.00 0.00 C ATOM 884 C LEU A 59 -1.808 1.711 1.977 1.00 0.00 C ATOM 885 O LEU A 59 -2.090 0.514 1.958 1.00 0.00 O ATOM 886 CB LEU A 59 -3.644 3.473 2.257 1.00 0.00 C ATOM 887 CG LEU A 59 -3.354 3.965 0.837 1.00 0.00 C ATOM 888 CD1 LEU A 59 -3.644 2.871 -0.192 1.00 0.00 C ATOM 889 CD2 LEU A 59 -4.120 5.254 0.535 1.00 0.00 C ATOM 0 H LEU A 59 -1.843 4.530 3.587 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.027 2.052 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.546 2.861 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.864 4.339 2.882 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.292 4.199 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.430 3.247 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.016 2.004 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.693 2.582 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.896 5.581 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.191 5.072 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.821 6.029 1.241 1.00 0.00 H new ATOM 901 N VAL A 60 -0.885 2.277 1.211 1.00 0.00 N ATOM 902 CA VAL A 60 -0.118 1.491 0.260 1.00 0.00 C ATOM 903 C VAL A 60 0.499 0.289 0.978 1.00 0.00 C ATOM 904 O VAL A 60 0.518 -0.817 0.440 1.00 0.00 O ATOM 905 CB VAL A 60 0.923 2.375 -0.428 1.00 0.00 C ATOM 906 CG1 VAL A 60 2.110 1.543 -0.921 1.00 0.00 C ATOM 907 CG2 VAL A 60 0.297 3.169 -1.576 1.00 0.00 C ATOM 0 H VAL A 60 -0.652 3.270 1.230 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.766 1.102 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 60 1.295 3.087 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.835 2.196 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.581 1.043 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.760 0.796 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.059 3.789 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.117 2.480 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.498 3.805 -1.187 1.00 0.00 H new ATOM 917 N ASN A 61 0.987 0.546 2.183 1.00 0.00 N ATOM 918 CA ASN A 61 1.603 -0.501 2.979 1.00 0.00 C ATOM 919 C ASN A 61 0.511 -1.309 3.684 1.00 0.00 C ATOM 920 O ASN A 61 0.747 -2.437 4.111 1.00 0.00 O ATOM 921 CB ASN A 61 2.519 0.091 4.053 1.00 0.00 C ATOM 922 CG ASN A 61 3.369 1.228 3.482 1.00 0.00 C ATOM 923 OD1 ASN A 61 3.610 2.238 4.122 1.00 0.00 O ATOM 924 ND2 ASN A 61 3.808 1.008 2.246 1.00 0.00 N ATOM 0 H ASN A 61 0.968 1.464 2.627 1.00 0.00 H new ATOM 0 HA ASN A 61 2.190 -1.132 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.919 0.462 4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.168 -0.688 4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.384 1.707 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.569 0.140 1.767 1.00 0.00 H new ATOM 931 N ALA A 62 -0.661 -0.700 3.781 1.00 0.00 N ATOM 932 CA ALA A 62 -1.791 -1.349 4.426 1.00 0.00 C ATOM 933 C ALA A 62 -2.525 -2.217 3.403 1.00 0.00 C ATOM 934 O ALA A 62 -3.498 -2.891 3.740 1.00 0.00 O ATOM 935 CB ALA A 62 -2.700 -0.289 5.051 1.00 0.00 C ATOM 0 H ALA A 62 -0.853 0.236 3.424 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.452 -2.002 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.547 -0.775 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.138 0.281 5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.063 0.383 4.274 1.00 0.00 H new ATOM 941 N ILE A 63 -2.032 -2.174 2.174 1.00 0.00 N ATOM 942 CA ILE A 63 -2.630 -2.949 1.100 1.00 0.00 C ATOM 943 C ILE A 63 -2.204 -4.413 1.235 1.00 0.00 C ATOM 944 O ILE A 63 -3.048 -5.304 1.314 1.00 0.00 O ATOM 945 CB ILE A 63 -2.290 -2.334 -0.259 1.00 0.00 C ATOM 946 CG1 ILE A 63 -3.418 -1.419 -0.743 1.00 0.00 C ATOM 947 CG2 ILE A 63 -1.951 -3.418 -1.283 1.00 0.00 C ATOM 948 CD1 ILE A 63 -3.140 -0.909 -2.158 1.00 0.00 C ATOM 0 H ILE A 63 -1.225 -1.614 1.898 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.717 -2.924 1.173 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.401 -1.715 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.363 -1.961 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.524 -0.574 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.713 -2.953 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.092 -3.991 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.806 -4.083 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.956 -0.261 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.206 -0.347 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.059 -1.755 -2.840 1.00 0.00 H new ATOM 960 N PRO A 64 -0.860 -4.620 1.258 1.00 0.00 N ATOM 961 CA PRO A 64 -0.313 -5.960 1.383 1.00 0.00 C ATOM 962 C PRO A 64 -0.453 -6.480 2.816 1.00 0.00 C ATOM 963 O PRO A 64 -0.747 -7.655 3.028 1.00 0.00 O ATOM 964 CB PRO A 64 1.135 -5.836 0.936 1.00 0.00 C ATOM 965 CG PRO A 64 1.473 -4.357 1.022 1.00 0.00 C ATOM 966 CD PRO A 64 0.169 -3.589 1.169 1.00 0.00 C ATOM 0 HA PRO A 64 -0.845 -6.690 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.793 -6.425 1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.263 -6.207 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.128 -4.164 1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.007 -4.035 0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.178 -2.960 2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.002 -2.932 0.316 1.00 0.00 H new ATOM 974 N MET A 65 -0.237 -5.578 3.762 1.00 0.00 N ATOM 975 CA MET A 65 -0.336 -5.930 5.168 1.00 0.00 C ATOM 976 C MET A 65 -1.735 -6.447 5.507 1.00 0.00 C ATOM 977 O MET A 65 -1.878 -7.471 6.174 1.00 0.00 O ATOM 978 CB MET A 65 -0.024 -4.702 6.025 1.00 0.00 C ATOM 979 CG MET A 65 -0.134 -5.031 7.516 1.00 0.00 C ATOM 980 SD MET A 65 0.172 -3.566 8.489 1.00 0.00 S ATOM 981 CE MET A 65 1.350 -4.215 9.662 1.00 0.00 C ATOM 0 H MET A 65 0.006 -4.604 3.582 1.00 0.00 H new ATOM 0 HA MET A 65 0.384 -6.722 5.376 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.981 -4.344 5.801 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.713 -3.895 5.775 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.126 -5.424 7.738 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.583 -5.809 7.779 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.650 -3.426 10.351 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.894 -5.032 10.222 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.227 -4.585 9.130 1.00 0.00 H new ATOM 991 N ILE A 66 -2.732 -5.717 5.031 1.00 0.00 N ATOM 992 CA ILE A 66 -4.116 -6.089 5.275 1.00 0.00 C ATOM 993 C ILE A 66 -4.483 -7.278 4.386 1.00 0.00 C ATOM 994 O ILE A 66 -5.338 -8.087 4.747 1.00 0.00 O ATOM 995 CB ILE A 66 -5.036 -4.880 5.095 1.00 0.00 C ATOM 996 CG1 ILE A 66 -4.608 -3.725 6.003 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.500 -5.268 5.311 1.00 0.00 C ATOM 998 CD1 ILE A 66 -5.367 -2.443 5.656 1.00 0.00 C ATOM 0 H ILE A 66 -2.610 -4.869 4.477 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.248 -6.409 6.308 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.944 -4.531 4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.791 -3.990 7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.536 -3.556 5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.133 -4.390 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.784 -6.033 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.628 -5.657 6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.043 -1.639 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.162 -2.168 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.437 -2.608 5.783 1.00 0.00 H new ATOM 1010 N ALA A 67 -3.820 -7.349 3.242 1.00 0.00 N ATOM 1011 CA ALA A 67 -4.066 -8.427 2.299 1.00 0.00 C ATOM 1012 C ALA A 67 -3.575 -9.746 2.899 1.00 0.00 C ATOM 1013 O ALA A 67 -4.379 -10.589 3.294 1.00 0.00 O ATOM 1014 CB ALA A 67 -3.387 -8.104 0.967 1.00 0.00 C ATOM 0 H ALA A 67 -3.112 -6.677 2.946 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.133 -8.531 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.571 -8.912 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.792 -7.174 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.314 -7.996 1.123 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.259 -9.883 2.950 1.00 0.00 N ATOM 1021 CA VAL A 68 -1.652 -11.084 3.495 1.00 0.00 C ATOM 1022 C VAL A 68 -2.072 -11.244 4.958 1.00 0.00 C ATOM 1023 O VAL A 68 -2.237 -12.363 5.441 1.00 0.00 O ATOM 1024 CB VAL A 68 -0.134 -11.034 3.312 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.539 -12.241 3.969 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.237 -10.938 1.832 1.00 0.00 C ATOM 0 H VAL A 68 -1.595 -9.181 2.622 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.002 -11.965 2.957 1.00 0.00 H new ATOM 0 HB VAL A 68 0.233 -10.136 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.618 -12.180 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.316 -12.246 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.163 -13.158 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.322 -10.904 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.150 -11.809 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.196 -10.033 1.406 1.00 0.00 H new ATOM 1036 N GLY A 69 -2.235 -10.109 5.622 1.00 0.00 N ATOM 1037 CA GLY A 69 -2.633 -10.109 7.018 1.00 0.00 C ATOM 1038 C GLY A 69 -3.914 -10.920 7.223 1.00 0.00 C ATOM 1039 O GLY A 69 -3.973 -11.785 8.096 1.00 0.00 O ATOM 0 H GLY A 69 -2.098 -9.183 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.832 -10.527 7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.789 -9.084 7.355 1.00 0.00 H new ATOM 1043 N LEU A 70 -4.909 -10.612 6.404 1.00 0.00 N ATOM 1044 CA LEU A 70 -6.185 -11.301 6.484 1.00 0.00 C ATOM 1045 C LEU A 70 -5.976 -12.789 6.197 1.00 0.00 C ATOM 1046 O LEU A 70 -6.232 -13.632 7.055 1.00 0.00 O ATOM 1047 CB LEU A 70 -7.212 -10.636 5.565 1.00 0.00 C ATOM 1048 CG LEU A 70 -8.337 -9.868 6.261 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -9.166 -9.072 5.249 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -9.205 -10.807 7.101 1.00 0.00 C ATOM 0 H LEU A 70 -4.857 -9.894 5.681 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.596 -11.225 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.686 -9.949 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.659 -11.406 4.936 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.887 -9.149 6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.959 -8.535 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.523 -8.359 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.607 -9.755 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.997 -10.235 7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.648 -11.567 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.590 -11.289 7.861 1.00 0.00 H new ATOM 1062 N GLY A 71 -5.513 -13.066 4.987 1.00 0.00 N ATOM 1063 CA GLY A 71 -5.265 -14.437 4.577 1.00 0.00 C ATOM 1064 C GLY A 71 -4.619 -15.240 5.707 1.00 0.00 C ATOM 1065 O GLY A 71 -5.042 -16.357 6.001 1.00 0.00 O ATOM 0 H GLY A 71 -5.303 -12.364 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.203 -14.907 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.615 -14.447 3.702 1.00 0.00 H new ATOM 1069 N LEU A 72 -3.603 -14.640 6.310 1.00 0.00 N ATOM 1070 CA LEU A 72 -2.893 -15.286 7.402 1.00 0.00 C ATOM 1071 C LEU A 72 -3.851 -15.486 8.578 1.00 0.00 C ATOM 1072 O LEU A 72 -4.135 -16.618 8.965 1.00 0.00 O ATOM 1073 CB LEU A 72 -1.633 -14.496 7.762 1.00 0.00 C ATOM 1074 CG LEU A 72 -0.301 -15.182 7.454 1.00 0.00 C ATOM 1075 CD1 LEU A 72 0.870 -14.402 8.055 1.00 0.00 C ATOM 1076 CD2 LEU A 72 -0.315 -16.641 7.916 1.00 0.00 C ATOM 0 H LEU A 72 -3.254 -13.714 6.063 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.546 -16.275 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.660 -13.545 7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.663 -14.267 8.827 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.163 -15.188 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.805 -14.912 7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.890 -13.396 7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.750 -14.342 9.137 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.644 -17.105 7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.487 -16.680 8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.111 -17.178 7.401 1.00 0.00 H new ATOM 1088 N TYR A 73 -4.322 -14.369 9.113 1.00 0.00 N ATOM 1089 CA TYR A 73 -5.241 -14.409 10.238 1.00 0.00 C ATOM 1090 C TYR A 73 -6.228 -15.571 10.100 1.00 0.00 C ATOM 1091 O TYR A 73 -6.524 -16.256 11.077 1.00 0.00 O ATOM 1092 CB TYR A 73 -6.016 -13.090 10.196 1.00 0.00 C ATOM 1093 CG TYR A 73 -7.379 -13.147 10.888 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -8.484 -13.607 10.202 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -7.503 -12.739 12.202 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -9.767 -13.659 10.854 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -8.785 -12.791 12.854 1.00 0.00 C ATOM 1098 CZ TYR A 73 -9.853 -13.249 12.148 1.00 0.00 C ATOM 1099 OH TYR A 73 -11.066 -13.300 12.764 1.00 0.00 O ATOM 0 H TYR A 73 -4.085 -13.432 8.789 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.697 -14.546 11.173 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.414 -12.312 10.665 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.160 -12.798 9.156 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.387 -13.928 9.175 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.638 -12.381 12.740 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.640 -14.015 10.328 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.896 -12.474 13.880 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.979 -12.978 13.685 1.00 0.00 H new ATOM 1109 N VAL A 74 -6.706 -15.757 8.879 1.00 0.00 N ATOM 1110 CA VAL A 74 -7.651 -16.823 8.600 1.00 0.00 C ATOM 1111 C VAL A 74 -6.958 -18.175 8.782 1.00 0.00 C ATOM 1112 O VAL A 74 -7.470 -19.050 9.477 1.00 0.00 O ATOM 1113 CB VAL A 74 -8.250 -16.642 7.204 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -9.155 -17.819 6.837 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -9.007 -15.316 7.100 1.00 0.00 C ATOM 0 H VAL A 74 -6.456 -15.187 8.071 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.483 -16.787 9.303 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.428 -16.617 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.567 -17.664 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.575 -18.742 6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.969 -17.891 7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.423 -15.212 6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.815 -15.300 7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.323 -14.490 7.296 1.00 0.00 H new ATOM 1125 N MET A 75 -5.803 -18.301 8.145 1.00 0.00 N ATOM 1126 CA MET A 75 -5.034 -19.532 8.227 1.00 0.00 C ATOM 1127 C MET A 75 -4.740 -19.897 9.684 1.00 0.00 C ATOM 1128 O MET A 75 -5.054 -21.002 10.125 1.00 0.00 O ATOM 1129 CB MET A 75 -3.717 -19.362 7.467 1.00 0.00 C ATOM 1130 CG MET A 75 -3.198 -20.710 6.961 1.00 0.00 C ATOM 1131 SD MET A 75 -1.913 -21.314 8.042 1.00 0.00 S ATOM 1132 CE MET A 75 -2.464 -22.996 8.268 1.00 0.00 C ATOM 0 H MET A 75 -5.381 -17.572 7.570 1.00 0.00 H new ATOM 0 HA MET A 75 -5.620 -20.336 7.781 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.864 -18.685 6.625 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.973 -18.903 8.119 1.00 0.00 H new ATOM 0 HG2 MET A 75 -4.015 -21.430 6.916 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.812 -20.603 5.947 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.769 -23.522 8.923 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.457 -22.996 8.717 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.503 -23.499 7.302 1.00 0.00 H new ATOM 1142 N PHE A 76 -4.140 -18.949 10.389 1.00 0.00 N ATOM 1143 CA PHE A 76 -3.801 -19.159 11.786 1.00 0.00 C ATOM 1144 C PHE A 76 -5.055 -19.418 12.623 1.00 0.00 C ATOM 1145 O PHE A 76 -5.073 -20.320 13.460 1.00 0.00 O ATOM 1146 CB PHE A 76 -3.129 -17.876 12.280 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.191 -18.083 13.471 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -2.639 -18.719 14.586 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -0.909 -17.631 13.414 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -1.769 -18.912 15.692 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -0.039 -17.824 14.519 1.00 0.00 C ATOM 1152 CZ PHE A 76 -0.487 -18.460 15.635 1.00 0.00 C ATOM 0 H PHE A 76 -3.880 -18.035 10.019 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.147 -20.026 11.884 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.565 -17.434 11.459 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.900 -17.158 12.559 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.657 -19.078 14.631 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.553 -17.126 12.528 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.125 -19.417 16.578 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.979 -17.466 14.474 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.175 -18.606 16.476 1.00 0.00 H new ATOM 1162 N ALA A 77 -6.075 -18.611 12.368 1.00 0.00 N ATOM 1163 CA ALA A 77 -7.331 -18.741 13.087 1.00 0.00 C ATOM 1164 C ALA A 77 -7.740 -20.215 13.126 1.00 0.00 C ATOM 1165 O ALA A 77 -7.719 -20.841 14.185 1.00 0.00 O ATOM 1166 CB ALA A 77 -8.391 -17.858 12.427 1.00 0.00 C ATOM 0 H ALA A 77 -6.057 -17.865 11.673 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.221 -18.402 14.117 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.333 -17.956 12.966 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.065 -16.818 12.451 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.531 -18.170 11.392 1.00 0.00 H new ATOM 1172 N VAL A 78 -8.103 -20.726 11.959 1.00 0.00 N ATOM 1173 CA VAL A 78 -8.517 -22.115 11.847 1.00 0.00 C ATOM 1174 C VAL A 78 -7.371 -23.022 12.300 1.00 0.00 C ATOM 1175 O VAL A 78 -7.603 -24.058 12.921 1.00 0.00 O ATOM 1176 CB VAL A 78 -8.983 -22.408 10.420 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -7.809 -22.366 9.440 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -9.711 -23.751 10.346 1.00 0.00 C ATOM 0 H VAL A 78 -8.119 -20.204 11.083 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.367 -22.315 12.500 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.688 -21.628 10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.168 -22.578 8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.352 -21.377 9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.069 -23.114 9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.032 -23.935 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.038 -24.547 10.664 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.582 -23.729 11.000 1.00 0.00 H new ATOM 1188 N ALA A 79 -6.160 -22.600 11.972 1.00 0.00 N ATOM 1189 CA ALA A 79 -4.977 -23.361 12.337 1.00 0.00 C ATOM 1190 C ALA A 79 -5.015 -24.721 11.638 1.00 0.00 C ATOM 1191 O ALA A 79 -4.927 -25.761 12.289 1.00 0.00 O ATOM 1192 CB ALA A 79 -4.903 -23.491 13.859 1.00 0.00 C ATOM 0 H ALA A 79 -5.971 -21.740 11.457 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.074 -22.846 12.009 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.016 -24.062 14.133 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.848 -22.499 14.307 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.792 -24.005 14.224 1.00 0.00 H new TER 1198 ALA A 79