USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=7 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+ 136:sc= 0.534 (180deg=0.0456) USER MOD Single : A 3 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.1!) USER MOD Single : A 5 ASN : amide:sc= -0.105 K(o=-0.11,f=-0.93) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -172:sc= 0.686 USER MOD Single : A 11 MET CE :methyl -117:sc= 0 (180deg=-0.114) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.547 F(o=-1.7,f=-0.55) USER MOD Single : A 51 THR OG1 : rot 98:sc= 1.28 USER MOD Single : A 52 GLN : amide:sc= -0.0916 X(o=-0.092,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc=-0.00139 F(o=-1.7,f=-0.0014) 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 -3.821 -36.242 -0.695 1.00 0.00 N ATOM 2 CA MET A 1 -3.320 -34.942 -0.284 1.00 0.00 C ATOM 3 C MET A 1 -4.444 -33.905 -0.250 1.00 0.00 C ATOM 4 O MET A 1 -4.814 -33.351 -1.284 1.00 0.00 O ATOM 5 CB MET A 1 -2.231 -34.482 -1.256 1.00 0.00 C ATOM 6 CG MET A 1 -0.967 -35.330 -1.105 1.00 0.00 C ATOM 7 SD MET A 1 -0.948 -36.625 -2.333 1.00 0.00 S ATOM 8 CE MET A 1 -0.097 -35.783 -3.657 1.00 0.00 C ATOM 0 H1 MET A 1 -3.166 -36.664 -1.384 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.898 -36.863 0.136 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.758 -36.131 -1.132 1.00 0.00 H new ATOM 0 HA MET A 1 -2.907 -35.036 0.720 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.599 -34.551 -2.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.994 -33.434 -1.073 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.083 -34.702 -1.214 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.928 -35.765 -0.106 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.001 -36.454 -4.511 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.665 -34.901 -3.952 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.893 -35.480 -3.318 1.00 0.00 H new ATOM 18 N GLU A 2 -4.958 -33.675 0.949 1.00 0.00 N ATOM 19 CA GLU A 2 -6.033 -32.716 1.131 1.00 0.00 C ATOM 20 C GLU A 2 -5.554 -31.534 1.978 1.00 0.00 C ATOM 21 O GLU A 2 -6.289 -30.568 2.176 1.00 0.00 O ATOM 22 CB GLU A 2 -7.260 -33.379 1.761 1.00 0.00 C ATOM 23 CG GLU A 2 -8.133 -34.042 0.694 1.00 0.00 C ATOM 24 CD GLU A 2 -9.595 -34.104 1.142 1.00 0.00 C ATOM 25 OE1 GLU A 2 -9.907 -34.753 2.152 1.00 0.00 O ATOM 26 OE2 GLU A 2 -10.421 -33.447 0.401 1.00 0.00 O ATOM 0 H GLU A 2 -4.649 -34.137 1.804 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.327 -32.340 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.941 -34.124 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.843 -32.634 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.058 -33.485 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.767 -35.049 0.494 1.00 0.00 H new ATOM 34 N ASN A 3 -4.323 -31.652 2.456 1.00 0.00 N ATOM 35 CA ASN A 3 -3.737 -30.606 3.276 1.00 0.00 C ATOM 36 C ASN A 3 -2.277 -30.401 2.868 1.00 0.00 C ATOM 37 O ASN A 3 -1.506 -29.780 3.597 1.00 0.00 O ATOM 38 CB ASN A 3 -3.764 -30.988 4.758 1.00 0.00 C ATOM 39 CG ASN A 3 -5.199 -31.027 5.288 1.00 0.00 C ATOM 40 OD1 ASN A 3 -6.136 -30.577 4.649 1.00 0.00 O ATOM 41 ND2 ASN A 3 -5.317 -31.587 6.488 1.00 0.00 N ATOM 0 H ASN A 3 -3.717 -32.455 2.291 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.318 -29.696 3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.295 -31.963 4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.179 -30.270 5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.234 -31.660 6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.491 -31.944 6.968 1.00 0.00 H new ATOM 48 N LEU A 4 -1.941 -30.936 1.703 1.00 0.00 N ATOM 49 CA LEU A 4 -0.588 -30.819 1.188 1.00 0.00 C ATOM 50 C LEU A 4 -0.600 -29.960 -0.078 1.00 0.00 C ATOM 51 O LEU A 4 0.165 -29.004 -0.190 1.00 0.00 O ATOM 52 CB LEU A 4 0.029 -32.205 0.985 1.00 0.00 C ATOM 53 CG LEU A 4 1.106 -32.614 1.993 1.00 0.00 C ATOM 54 CD1 LEU A 4 0.891 -34.051 2.473 1.00 0.00 C ATOM 55 CD2 LEU A 4 2.506 -32.407 1.413 1.00 0.00 C ATOM 0 H LEU A 4 -2.583 -31.452 1.101 1.00 0.00 H new ATOM 0 HA LEU A 4 0.052 -30.312 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.771 -32.945 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.461 -32.246 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 4 1.020 -31.967 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.670 -34.316 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.085 -34.132 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.935 -34.730 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.253 -32.705 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.621 -33.013 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.644 -31.355 1.162 1.00 0.00 H new ATOM 67 N ASN A 5 -1.475 -30.334 -0.999 1.00 0.00 N ATOM 68 CA ASN A 5 -1.597 -29.609 -2.253 1.00 0.00 C ATOM 69 C ASN A 5 -2.092 -28.189 -1.971 1.00 0.00 C ATOM 70 O ASN A 5 -1.526 -27.220 -2.473 1.00 0.00 O ATOM 71 CB ASN A 5 -2.606 -30.285 -3.184 1.00 0.00 C ATOM 72 CG ASN A 5 -2.558 -29.668 -4.583 1.00 0.00 C ATOM 73 OD1 ASN A 5 -2.957 -28.536 -4.805 1.00 0.00 O ATOM 74 ND2 ASN A 5 -2.051 -30.473 -5.512 1.00 0.00 N ATOM 0 H ASN A 5 -2.106 -31.129 -0.903 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.617 -29.595 -2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.392 -31.352 -3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.610 -30.185 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.978 -30.154 -6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.735 -31.409 -5.258 1.00 0.00 H new ATOM 81 N MET A 6 -3.142 -28.112 -1.166 1.00 0.00 N ATOM 82 CA MET A 6 -3.718 -26.826 -0.811 1.00 0.00 C ATOM 83 C MET A 6 -2.629 -25.826 -0.420 1.00 0.00 C ATOM 84 O MET A 6 -2.596 -24.708 -0.932 1.00 0.00 O ATOM 85 CB MET A 6 -4.689 -27.008 0.358 1.00 0.00 C ATOM 86 CG MET A 6 -6.139 -27.031 -0.130 1.00 0.00 C ATOM 87 SD MET A 6 -6.562 -28.667 -0.705 1.00 0.00 S ATOM 88 CE MET A 6 -7.785 -28.254 -1.939 1.00 0.00 C ATOM 0 H MET A 6 -3.608 -28.918 -0.750 1.00 0.00 H new ATOM 0 HA MET A 6 -4.249 -26.434 -1.679 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.463 -27.937 0.881 1.00 0.00 H new ATOM 0 HB3 MET A 6 -4.556 -26.198 1.075 1.00 0.00 H new ATOM 0 HG2 MET A 6 -6.808 -26.736 0.678 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.272 -26.308 -0.934 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.158 -29.168 -2.402 1.00 0.00 H new ATOM 0 HE2 MET A 6 -8.612 -27.722 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.333 -27.620 -2.701 1.00 0.00 H new ATOM 98 N ASP A 7 -1.766 -26.263 0.484 1.00 0.00 N ATOM 99 CA ASP A 7 -0.678 -25.419 0.950 1.00 0.00 C ATOM 100 C ASP A 7 -0.017 -24.737 -0.251 1.00 0.00 C ATOM 101 O ASP A 7 0.178 -23.523 -0.250 1.00 0.00 O ATOM 102 CB ASP A 7 0.389 -26.244 1.671 1.00 0.00 C ATOM 103 CG ASP A 7 -0.152 -27.277 2.662 1.00 0.00 C ATOM 104 OD1 ASP A 7 -1.324 -27.224 3.062 1.00 0.00 O ATOM 105 OD2 ASP A 7 0.696 -28.177 3.029 1.00 0.00 O ATOM 0 H ASP A 7 -1.797 -27.191 0.907 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.093 -24.684 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.993 -26.760 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.053 -25.564 2.204 1.00 0.00 H new ATOM 111 N LEU A 8 0.308 -25.549 -1.246 1.00 0.00 N ATOM 112 CA LEU A 8 0.942 -25.039 -2.451 1.00 0.00 C ATOM 113 C LEU A 8 0.053 -23.962 -3.073 1.00 0.00 C ATOM 114 O LEU A 8 0.430 -22.791 -3.120 1.00 0.00 O ATOM 115 CB LEU A 8 1.277 -26.187 -3.405 1.00 0.00 C ATOM 116 CG LEU A 8 1.621 -25.785 -4.841 1.00 0.00 C ATOM 117 CD1 LEU A 8 2.877 -26.508 -5.328 1.00 0.00 C ATOM 118 CD2 LEU A 8 0.429 -26.016 -5.774 1.00 0.00 C ATOM 0 H LEU A 8 0.145 -26.556 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 8 1.894 -24.566 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.119 -26.742 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.428 -26.870 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 8 1.840 -24.717 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.098 -26.204 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.718 -26.251 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.712 -27.585 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.699 -25.723 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.157 -27.071 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.418 -25.419 -5.437 1.00 0.00 H new ATOM 130 N LEU A 9 -1.112 -24.394 -3.534 1.00 0.00 N ATOM 131 CA LEU A 9 -2.058 -23.480 -4.152 1.00 0.00 C ATOM 132 C LEU A 9 -2.080 -22.167 -3.365 1.00 0.00 C ATOM 133 O LEU A 9 -1.668 -21.127 -3.876 1.00 0.00 O ATOM 134 CB LEU A 9 -3.432 -24.139 -4.286 1.00 0.00 C ATOM 135 CG LEU A 9 -4.045 -24.133 -5.687 1.00 0.00 C ATOM 136 CD1 LEU A 9 -4.175 -22.706 -6.222 1.00 0.00 C ATOM 137 CD2 LEU A 9 -3.251 -25.031 -6.638 1.00 0.00 C ATOM 0 H LEU A 9 -1.422 -25.365 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.746 -23.239 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.351 -25.173 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.121 -23.637 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.052 -24.546 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.614 -22.730 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.815 -22.125 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.189 -22.244 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.709 -25.008 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.224 -24.672 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.254 -26.053 -6.260 1.00 0.00 H new ATOM 149 N TYR A 10 -2.566 -22.259 -2.137 1.00 0.00 N ATOM 150 CA TYR A 10 -2.649 -21.093 -1.274 1.00 0.00 C ATOM 151 C TYR A 10 -1.432 -20.184 -1.465 1.00 0.00 C ATOM 152 O TYR A 10 -1.575 -19.014 -1.816 1.00 0.00 O ATOM 153 CB TYR A 10 -2.651 -21.627 0.159 1.00 0.00 C ATOM 154 CG TYR A 10 -2.659 -20.534 1.230 1.00 0.00 C ATOM 155 CD1 TYR A 10 -1.492 -19.865 1.543 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.833 -20.217 1.884 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.500 -18.838 2.551 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.839 -19.189 2.892 1.00 0.00 C ATOM 159 CZ TYR A 10 -2.673 -18.549 3.175 1.00 0.00 C ATOM 160 OH TYR A 10 -2.679 -17.579 4.128 1.00 0.00 O ATOM 0 H TYR A 10 -2.907 -23.124 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.540 -20.509 -1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.525 -22.264 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.772 -22.256 0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.574 -20.113 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.746 -20.740 1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.594 -18.308 2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.750 -18.932 3.412 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.553 -17.561 4.571 1.00 0.00 H new ATOM 170 N MET A 11 -0.261 -20.758 -1.223 1.00 0.00 N ATOM 171 CA MET A 11 0.979 -20.014 -1.364 1.00 0.00 C ATOM 172 C MET A 11 0.968 -19.165 -2.638 1.00 0.00 C ATOM 173 O MET A 11 1.244 -17.968 -2.591 1.00 0.00 O ATOM 174 CB MET A 11 2.156 -20.990 -1.410 1.00 0.00 C ATOM 175 CG MET A 11 3.486 -20.252 -1.245 1.00 0.00 C ATOM 176 SD MET A 11 4.803 -21.423 -0.959 1.00 0.00 S ATOM 177 CE MET A 11 4.567 -21.735 0.782 1.00 0.00 C ATOM 0 H MET A 11 -0.146 -21.728 -0.931 1.00 0.00 H new ATOM 0 HA MET A 11 1.081 -19.347 -0.508 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.048 -21.733 -0.620 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.150 -21.529 -2.358 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.698 -19.664 -2.138 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.422 -19.553 -0.411 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.448 -21.406 1.333 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.693 -21.187 1.135 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.416 -22.802 0.943 1.00 0.00 H new ATOM 187 N ALA A 12 0.648 -19.819 -3.744 1.00 0.00 N ATOM 188 CA ALA A 12 0.598 -19.141 -5.027 1.00 0.00 C ATOM 189 C ALA A 12 -0.396 -17.980 -4.947 1.00 0.00 C ATOM 190 O ALA A 12 -0.084 -16.862 -5.353 1.00 0.00 O ATOM 191 CB ALA A 12 0.236 -20.145 -6.123 1.00 0.00 C ATOM 0 H ALA A 12 0.420 -20.813 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 12 1.573 -18.724 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.199 -19.635 -7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.989 -20.932 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.738 -20.584 -5.907 1.00 0.00 H new ATOM 197 N ALA A 13 -1.573 -18.287 -4.421 1.00 0.00 N ATOM 198 CA ALA A 13 -2.615 -17.284 -4.283 1.00 0.00 C ATOM 199 C ALA A 13 -2.089 -16.123 -3.438 1.00 0.00 C ATOM 200 O ALA A 13 -1.793 -15.051 -3.965 1.00 0.00 O ATOM 201 CB ALA A 13 -3.865 -17.927 -3.677 1.00 0.00 C ATOM 0 H ALA A 13 -1.828 -19.216 -4.085 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.894 -16.883 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.647 -17.175 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.215 -18.727 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.624 -18.338 -2.696 1.00 0.00 H new ATOM 207 N ALA A 14 -1.990 -16.372 -2.141 1.00 0.00 N ATOM 208 CA ALA A 14 -1.505 -15.361 -1.218 1.00 0.00 C ATOM 209 C ALA A 14 -0.349 -14.598 -1.866 1.00 0.00 C ATOM 210 O ALA A 14 -0.461 -13.402 -2.131 1.00 0.00 O ATOM 211 CB ALA A 14 -1.100 -16.024 0.101 1.00 0.00 C ATOM 0 H ALA A 14 -2.238 -17.261 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.291 -14.640 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.736 -15.265 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.964 -16.527 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.311 -16.753 -0.085 1.00 0.00 H new ATOM 217 N VAL A 15 0.736 -15.320 -2.102 1.00 0.00 N ATOM 218 CA VAL A 15 1.912 -14.726 -2.715 1.00 0.00 C ATOM 219 C VAL A 15 1.475 -13.763 -3.820 1.00 0.00 C ATOM 220 O VAL A 15 1.867 -12.597 -3.823 1.00 0.00 O ATOM 221 CB VAL A 15 2.852 -15.824 -3.216 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.983 -15.234 -4.061 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.409 -16.643 -2.050 1.00 0.00 C ATOM 0 H VAL A 15 0.826 -16.311 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 15 2.473 -14.146 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 15 2.274 -16.495 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.637 -16.036 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.561 -14.715 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.558 -14.530 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.074 -17.417 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.964 -15.988 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.587 -17.108 -1.507 1.00 0.00 H new ATOM 233 N MET A 16 0.668 -14.286 -4.733 1.00 0.00 N ATOM 234 CA MET A 16 0.174 -13.487 -5.841 1.00 0.00 C ATOM 235 C MET A 16 -0.509 -12.214 -5.337 1.00 0.00 C ATOM 236 O MET A 16 -0.278 -11.129 -5.868 1.00 0.00 O ATOM 237 CB MET A 16 -0.822 -14.311 -6.659 1.00 0.00 C ATOM 238 CG MET A 16 -1.157 -13.612 -7.978 1.00 0.00 C ATOM 239 SD MET A 16 -2.726 -14.198 -8.598 1.00 0.00 S ATOM 240 CE MET A 16 -2.782 -13.339 -10.161 1.00 0.00 C ATOM 0 H MET A 16 0.344 -15.253 -4.727 1.00 0.00 H new ATOM 0 HA MET A 16 1.021 -13.200 -6.464 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.404 -15.297 -6.862 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.734 -14.464 -6.082 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.196 -12.533 -7.828 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.373 -13.804 -8.710 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.704 -13.593 -10.683 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.749 -12.264 -9.987 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.927 -13.635 -10.769 1.00 0.00 H new ATOM 250 N MET A 17 -1.338 -12.389 -4.318 1.00 0.00 N ATOM 251 CA MET A 17 -2.056 -11.269 -3.737 1.00 0.00 C ATOM 252 C MET A 17 -1.087 -10.248 -3.136 1.00 0.00 C ATOM 253 O MET A 17 -1.321 -9.042 -3.216 1.00 0.00 O ATOM 254 CB MET A 17 -3.002 -11.778 -2.646 1.00 0.00 C ATOM 255 CG MET A 17 -4.182 -12.537 -3.256 1.00 0.00 C ATOM 256 SD MET A 17 -5.369 -12.941 -1.984 1.00 0.00 S ATOM 257 CE MET A 17 -6.686 -11.819 -2.422 1.00 0.00 C ATOM 0 H MET A 17 -1.528 -13.291 -3.880 1.00 0.00 H new ATOM 0 HA MET A 17 -2.627 -10.780 -4.526 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.458 -12.431 -1.964 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.370 -10.938 -2.057 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.656 -11.930 -4.028 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.829 -13.448 -3.739 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.514 -11.940 -1.724 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.320 -10.793 -2.377 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.029 -12.038 -3.433 1.00 0.00 H new ATOM 267 N GLY A 18 -0.020 -10.768 -2.548 1.00 0.00 N ATOM 268 CA GLY A 18 0.986 -9.917 -1.934 1.00 0.00 C ATOM 269 C GLY A 18 1.708 -9.075 -2.988 1.00 0.00 C ATOM 270 O GLY A 18 1.561 -7.854 -3.019 1.00 0.00 O ATOM 0 H GLY A 18 0.170 -11.768 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.515 -9.263 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.708 -10.531 -1.396 1.00 0.00 H new ATOM 274 N LEU A 19 2.472 -9.761 -3.825 1.00 0.00 N ATOM 275 CA LEU A 19 3.219 -9.091 -4.877 1.00 0.00 C ATOM 276 C LEU A 19 2.292 -8.122 -5.615 1.00 0.00 C ATOM 277 O LEU A 19 2.652 -6.969 -5.846 1.00 0.00 O ATOM 278 CB LEU A 19 3.891 -10.115 -5.792 1.00 0.00 C ATOM 279 CG LEU A 19 2.986 -11.219 -6.343 1.00 0.00 C ATOM 280 CD1 LEU A 19 2.359 -10.802 -7.674 1.00 0.00 C ATOM 281 CD2 LEU A 19 3.744 -12.544 -6.456 1.00 0.00 C ATOM 0 H LEU A 19 2.590 -10.774 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 19 4.029 -8.498 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.336 -9.584 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.708 -10.583 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 19 2.169 -11.374 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.721 -11.605 -8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.762 -9.902 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.147 -10.602 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.078 -13.312 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.594 -12.421 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.101 -12.844 -5.471 1.00 0.00 H new ATOM 293 N ALA A 20 1.118 -8.625 -5.963 1.00 0.00 N ATOM 294 CA ALA A 20 0.138 -7.818 -6.670 1.00 0.00 C ATOM 295 C ALA A 20 -0.140 -6.544 -5.870 1.00 0.00 C ATOM 296 O ALA A 20 0.013 -5.438 -6.385 1.00 0.00 O ATOM 297 CB ALA A 20 -1.129 -8.644 -6.908 1.00 0.00 C ATOM 0 H ALA A 20 0.822 -9.582 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 20 0.521 -7.519 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.864 -8.038 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.884 -9.522 -7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.543 -8.960 -5.950 1.00 0.00 H new ATOM 303 N ALA A 21 -0.542 -6.742 -4.624 1.00 0.00 N ATOM 304 CA ALA A 21 -0.842 -5.621 -3.747 1.00 0.00 C ATOM 305 C ALA A 21 0.335 -4.644 -3.755 1.00 0.00 C ATOM 306 O ALA A 21 0.190 -3.497 -4.172 1.00 0.00 O ATOM 307 CB ALA A 21 -1.159 -6.142 -2.343 1.00 0.00 C ATOM 0 H ALA A 21 -0.667 -7.661 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.721 -5.081 -4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.384 -5.302 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.020 -6.808 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.299 -6.687 -1.954 1.00 0.00 H new ATOM 313 N ILE A 22 1.474 -5.136 -3.287 1.00 0.00 N ATOM 314 CA ILE A 22 2.675 -4.320 -3.236 1.00 0.00 C ATOM 315 C ILE A 22 2.819 -3.547 -4.549 1.00 0.00 C ATOM 316 O ILE A 22 3.149 -2.362 -4.543 1.00 0.00 O ATOM 317 CB ILE A 22 3.892 -5.180 -2.891 1.00 0.00 C ATOM 318 CG1 ILE A 22 3.777 -5.752 -1.477 1.00 0.00 C ATOM 319 CG2 ILE A 22 5.191 -4.396 -3.088 1.00 0.00 C ATOM 320 CD1 ILE A 22 4.600 -7.034 -1.334 1.00 0.00 C ATOM 0 H ILE A 22 1.590 -6.088 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 22 2.600 -3.581 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 22 3.918 -6.025 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.120 -5.013 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.732 -5.960 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.041 -5.030 -2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.271 -4.079 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.188 -3.519 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.500 -7.419 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.238 -7.779 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.649 -6.818 -1.539 1.00 0.00 H new ATOM 332 N GLY A 23 2.565 -4.251 -5.642 1.00 0.00 N ATOM 333 CA GLY A 23 2.662 -3.647 -6.960 1.00 0.00 C ATOM 334 C GLY A 23 1.879 -2.334 -7.020 1.00 0.00 C ATOM 335 O GLY A 23 2.465 -1.263 -7.174 1.00 0.00 O ATOM 0 H GLY A 23 2.292 -5.234 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.708 -3.462 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.278 -4.338 -7.710 1.00 0.00 H new ATOM 339 N ASP A 24 0.565 -2.459 -6.896 1.00 0.00 N ATOM 340 CA ASP A 24 -0.304 -1.295 -6.935 1.00 0.00 C ATOM 341 C ASP A 24 0.111 -0.317 -5.835 1.00 0.00 C ATOM 342 O ASP A 24 0.479 0.822 -6.119 1.00 0.00 O ATOM 343 CB ASP A 24 -1.762 -1.690 -6.691 1.00 0.00 C ATOM 344 CG ASP A 24 -2.783 -0.974 -7.577 1.00 0.00 C ATOM 345 OD1 ASP A 24 -3.167 -1.476 -8.643 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.191 0.164 -7.127 1.00 0.00 O ATOM 0 H ASP A 24 0.082 -3.348 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.213 -0.838 -7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.862 -2.765 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.007 -1.492 -5.647 1.00 0.00 H new ATOM 352 N ALA A 25 0.039 -0.796 -4.602 1.00 0.00 N ATOM 353 CA ALA A 25 0.404 0.022 -3.458 1.00 0.00 C ATOM 354 C ALA A 25 1.658 0.831 -3.793 1.00 0.00 C ATOM 355 O ALA A 25 1.842 1.937 -3.288 1.00 0.00 O ATOM 356 CB ALA A 25 0.597 -0.872 -2.231 1.00 0.00 C ATOM 0 H ALA A 25 -0.267 -1.741 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.391 0.730 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.871 -0.258 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.331 -1.401 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.389 -1.594 -2.428 1.00 0.00 H new ATOM 362 N ILE A 26 2.490 0.247 -4.644 1.00 0.00 N ATOM 363 CA ILE A 26 3.722 0.900 -5.054 1.00 0.00 C ATOM 364 C ILE A 26 3.405 1.964 -6.105 1.00 0.00 C ATOM 365 O ILE A 26 3.827 3.113 -5.979 1.00 0.00 O ATOM 366 CB ILE A 26 4.749 -0.137 -5.517 1.00 0.00 C ATOM 367 CG1 ILE A 26 5.609 -0.617 -4.346 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.597 0.409 -6.666 1.00 0.00 C ATOM 369 CD1 ILE A 26 6.989 -1.069 -4.829 1.00 0.00 C ATOM 0 H ILE A 26 2.335 -0.671 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 26 4.181 1.414 -4.209 1.00 0.00 H new ATOM 0 HB ILE A 26 4.212 -1.005 -5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.720 0.187 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.110 -1.442 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.319 -0.347 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.951 0.661 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.127 1.302 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.580 -1.405 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.876 -1.889 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.495 -0.235 -5.316 1.00 0.00 H new ATOM 381 N GLY A 27 2.665 1.544 -7.121 1.00 0.00 N ATOM 382 CA GLY A 27 2.287 2.448 -8.195 1.00 0.00 C ATOM 383 C GLY A 27 2.068 3.867 -7.666 1.00 0.00 C ATOM 384 O GLY A 27 2.552 4.833 -8.254 1.00 0.00 O ATOM 0 H GLY A 27 2.317 0.591 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.065 2.457 -8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.375 2.090 -8.673 1.00 0.00 H new ATOM 388 N ILE A 28 1.339 3.947 -6.563 1.00 0.00 N ATOM 389 CA ILE A 28 1.050 5.232 -5.948 1.00 0.00 C ATOM 390 C ILE A 28 2.300 5.738 -5.223 1.00 0.00 C ATOM 391 O ILE A 28 2.718 6.876 -5.423 1.00 0.00 O ATOM 392 CB ILE A 28 -0.184 5.131 -5.050 1.00 0.00 C ATOM 393 CG1 ILE A 28 -1.125 4.024 -5.532 1.00 0.00 C ATOM 394 CG2 ILE A 28 -0.896 6.482 -4.942 1.00 0.00 C ATOM 395 CD1 ILE A 28 -0.930 2.745 -4.714 1.00 0.00 C ATOM 0 H ILE A 28 0.940 3.143 -6.079 1.00 0.00 H new ATOM 0 HA ILE A 28 0.801 5.972 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 28 0.145 4.859 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.159 4.359 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.940 3.818 -6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.770 6.382 -4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.215 7.219 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.211 6.807 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.610 1.974 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.099 2.400 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.139 2.949 -3.664 1.00 0.00 H new ATOM 407 N GLY A 29 2.858 4.866 -4.397 1.00 0.00 N ATOM 408 CA GLY A 29 4.050 5.210 -3.641 1.00 0.00 C ATOM 409 C GLY A 29 5.079 5.912 -4.530 1.00 0.00 C ATOM 410 O GLY A 29 5.542 7.005 -4.205 1.00 0.00 O ATOM 0 H GLY A 29 2.507 3.922 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.782 5.859 -2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.488 4.307 -3.215 1.00 0.00 H new ATOM 414 N ILE A 30 5.407 5.257 -5.633 1.00 0.00 N ATOM 415 CA ILE A 30 6.371 5.805 -6.572 1.00 0.00 C ATOM 416 C ILE A 30 5.802 7.081 -7.196 1.00 0.00 C ATOM 417 O ILE A 30 6.549 7.994 -7.540 1.00 0.00 O ATOM 418 CB ILE A 30 6.780 4.747 -7.598 1.00 0.00 C ATOM 419 CG1 ILE A 30 7.507 3.581 -6.925 1.00 0.00 C ATOM 420 CG2 ILE A 30 7.613 5.368 -8.722 1.00 0.00 C ATOM 421 CD1 ILE A 30 8.860 4.026 -6.366 1.00 0.00 C ATOM 0 H ILE A 30 5.022 4.350 -5.898 1.00 0.00 H new ATOM 0 HA ILE A 30 7.289 6.086 -6.055 1.00 0.00 H new ATOM 0 HB ILE A 30 5.875 4.343 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.891 3.180 -6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.654 2.776 -7.645 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.891 4.595 -9.438 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.028 6.137 -9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.514 5.815 -8.303 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.355 3.178 -5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.482 4.404 -7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.708 4.814 -5.629 1.00 0.00 H new ATOM 433 N LEU A 31 4.483 7.102 -7.322 1.00 0.00 N ATOM 434 CA LEU A 31 3.804 8.250 -7.899 1.00 0.00 C ATOM 435 C LEU A 31 4.150 9.501 -7.088 1.00 0.00 C ATOM 436 O LEU A 31 4.525 10.527 -7.654 1.00 0.00 O ATOM 437 CB LEU A 31 2.302 7.984 -8.009 1.00 0.00 C ATOM 438 CG LEU A 31 1.650 8.364 -9.340 1.00 0.00 C ATOM 439 CD1 LEU A 31 0.222 7.823 -9.425 1.00 0.00 C ATOM 440 CD2 LEU A 31 1.704 9.876 -9.566 1.00 0.00 C ATOM 0 H LEU A 31 3.866 6.342 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 31 4.148 8.425 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.127 6.923 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.797 8.529 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 31 2.220 7.898 -10.144 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.218 8.107 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.239 6.736 -9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.374 8.239 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.234 10.118 -10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.174 10.383 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.743 10.205 -9.580 1.00 0.00 H new ATOM 452 N GLY A 32 4.014 9.374 -5.777 1.00 0.00 N ATOM 453 CA GLY A 32 4.307 10.481 -4.883 1.00 0.00 C ATOM 454 C GLY A 32 5.705 11.045 -5.149 1.00 0.00 C ATOM 455 O GLY A 32 5.922 12.251 -5.043 1.00 0.00 O ATOM 0 H GLY A 32 3.705 8.521 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.563 11.266 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.237 10.146 -3.848 1.00 0.00 H new ATOM 459 N GLY A 33 6.617 10.145 -5.488 1.00 0.00 N ATOM 460 CA GLY A 33 7.987 10.538 -5.769 1.00 0.00 C ATOM 461 C GLY A 33 8.088 11.244 -7.122 1.00 0.00 C ATOM 462 O GLY A 33 8.795 12.242 -7.254 1.00 0.00 O ATOM 0 H GLY A 33 6.434 9.145 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.348 11.200 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.630 9.658 -5.765 1.00 0.00 H new ATOM 466 N LYS A 34 7.371 10.699 -8.094 1.00 0.00 N ATOM 467 CA LYS A 34 7.370 11.265 -9.432 1.00 0.00 C ATOM 468 C LYS A 34 6.560 12.563 -9.432 1.00 0.00 C ATOM 469 O LYS A 34 6.600 13.324 -10.398 1.00 0.00 O ATOM 470 CB LYS A 34 6.879 10.234 -10.450 1.00 0.00 C ATOM 471 CG LYS A 34 7.302 10.620 -11.869 1.00 0.00 C ATOM 472 CD LYS A 34 7.081 9.460 -12.842 1.00 0.00 C ATOM 473 CE LYS A 34 8.295 8.528 -12.867 1.00 0.00 C ATOM 474 NZ LYS A 34 8.792 8.360 -14.251 1.00 0.00 N ATOM 0 H LYS A 34 6.786 9.871 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 34 8.384 11.522 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.281 9.252 -10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.793 10.156 -10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.732 11.489 -12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.353 10.908 -11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.193 8.899 -12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.896 9.850 -13.843 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.086 8.935 -12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.024 7.557 -12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.616 7.725 -14.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.041 7.951 -14.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.070 9.286 -14.635 1.00 0.00 H new ATOM 488 N PHE A 35 5.844 12.776 -8.338 1.00 0.00 N ATOM 489 CA PHE A 35 5.026 13.969 -8.200 1.00 0.00 C ATOM 490 C PHE A 35 5.751 15.039 -7.383 1.00 0.00 C ATOM 491 O PHE A 35 5.570 16.233 -7.618 1.00 0.00 O ATOM 492 CB PHE A 35 3.752 13.554 -7.459 1.00 0.00 C ATOM 493 CG PHE A 35 2.519 14.379 -7.833 1.00 0.00 C ATOM 494 CD1 PHE A 35 2.016 14.316 -9.095 1.00 0.00 C ATOM 495 CD2 PHE A 35 1.926 15.175 -6.903 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.871 15.082 -9.442 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.781 15.940 -7.249 1.00 0.00 C ATOM 498 CZ PHE A 35 0.277 15.877 -8.512 1.00 0.00 C ATOM 0 H PHE A 35 5.813 12.143 -7.539 1.00 0.00 H new ATOM 0 HA PHE A 35 4.808 14.387 -9.183 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.550 12.503 -7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.923 13.641 -6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.487 13.684 -9.833 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.326 15.225 -5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.472 15.033 -10.444 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.310 16.572 -6.510 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.594 16.458 -8.775 1.00 0.00 H new ATOM 508 N LEU A 36 6.557 14.575 -6.440 1.00 0.00 N ATOM 509 CA LEU A 36 7.310 15.477 -5.587 1.00 0.00 C ATOM 510 C LEU A 36 7.983 16.547 -6.451 1.00 0.00 C ATOM 511 O LEU A 36 8.024 17.717 -6.076 1.00 0.00 O ATOM 512 CB LEU A 36 8.287 14.694 -4.707 1.00 0.00 C ATOM 513 CG LEU A 36 8.924 15.472 -3.555 1.00 0.00 C ATOM 514 CD1 LEU A 36 7.859 16.183 -2.717 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.811 14.562 -2.702 1.00 0.00 C ATOM 0 H LEU A 36 6.705 13.584 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 36 6.642 15.995 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.762 13.834 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.084 14.305 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 36 9.567 16.243 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.339 16.729 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.307 16.881 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.171 15.446 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.252 15.141 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.210 13.753 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.604 14.143 -3.321 1.00 0.00 H new ATOM 527 N GLU A 37 8.492 16.105 -7.591 1.00 0.00 N ATOM 528 CA GLU A 37 9.161 17.010 -8.511 1.00 0.00 C ATOM 529 C GLU A 37 8.135 17.725 -9.392 1.00 0.00 C ATOM 530 O GLU A 37 8.289 18.907 -9.698 1.00 0.00 O ATOM 531 CB GLU A 37 10.189 16.264 -9.363 1.00 0.00 C ATOM 532 CG GLU A 37 11.552 16.958 -9.313 1.00 0.00 C ATOM 533 CD GLU A 37 12.513 16.212 -8.385 1.00 0.00 C ATOM 534 OE1 GLU A 37 12.175 15.131 -7.882 1.00 0.00 O ATOM 535 OE2 GLU A 37 13.647 16.796 -8.193 1.00 0.00 O ATOM 0 H GLU A 37 8.455 15.133 -7.899 1.00 0.00 H new ATOM 0 HA GLU A 37 9.696 17.760 -7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.286 15.238 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.842 16.211 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.975 17.009 -10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.429 17.984 -8.967 1.00 0.00 H new ATOM 543 N GLY A 38 7.109 16.979 -9.776 1.00 0.00 N ATOM 544 CA GLY A 38 6.058 17.527 -10.616 1.00 0.00 C ATOM 545 C GLY A 38 5.130 18.439 -9.808 1.00 0.00 C ATOM 546 O GLY A 38 4.181 19.001 -10.351 1.00 0.00 O ATOM 0 H GLY A 38 6.984 15.999 -9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.501 18.089 -11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.481 16.715 -11.059 1.00 0.00 H new ATOM 550 N ALA A 39 5.439 18.556 -8.525 1.00 0.00 N ATOM 551 CA ALA A 39 4.646 19.390 -7.638 1.00 0.00 C ATOM 552 C ALA A 39 5.499 20.560 -7.146 1.00 0.00 C ATOM 553 O ALA A 39 5.001 21.674 -6.988 1.00 0.00 O ATOM 554 CB ALA A 39 4.104 18.540 -6.488 1.00 0.00 C ATOM 0 H ALA A 39 6.227 18.087 -8.079 1.00 0.00 H new ATOM 0 HA ALA A 39 3.789 19.807 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.509 19.165 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.480 17.741 -6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.936 18.107 -5.932 1.00 0.00 H new ATOM 560 N ALA A 40 6.772 20.268 -6.918 1.00 0.00 N ATOM 561 CA ALA A 40 7.699 21.283 -6.447 1.00 0.00 C ATOM 562 C ALA A 40 7.545 22.544 -7.299 1.00 0.00 C ATOM 563 O ALA A 40 7.857 23.645 -6.847 1.00 0.00 O ATOM 564 CB ALA A 40 9.125 20.727 -6.482 1.00 0.00 C ATOM 0 H ALA A 40 7.182 19.344 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 40 7.479 21.554 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.821 21.488 -6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.189 19.850 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.381 20.447 -7.504 1.00 0.00 H new ATOM 570 N ARG A 41 7.061 22.342 -8.516 1.00 0.00 N ATOM 571 CA ARG A 41 6.861 23.450 -9.434 1.00 0.00 C ATOM 572 C ARG A 41 6.032 24.550 -8.767 1.00 0.00 C ATOM 573 O ARG A 41 6.253 25.734 -9.013 1.00 0.00 O ATOM 574 CB ARG A 41 6.151 22.988 -10.708 1.00 0.00 C ATOM 575 CG ARG A 41 7.107 22.997 -11.903 1.00 0.00 C ATOM 576 CD ARG A 41 6.748 21.894 -12.901 1.00 0.00 C ATOM 577 NE ARG A 41 7.295 22.222 -14.236 1.00 0.00 N ATOM 578 CZ ARG A 41 7.210 21.407 -15.310 1.00 0.00 C ATOM 579 NH1 ARG A 41 6.599 20.208 -15.213 1.00 0.00 N ATOM 580 NH2 ARG A 41 7.735 21.802 -16.456 1.00 0.00 N ATOM 0 H ARG A 41 6.802 21.428 -8.887 1.00 0.00 H new ATOM 0 HA ARG A 41 7.843 23.841 -9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.754 21.983 -10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.302 23.640 -10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.067 23.967 -12.398 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.131 22.859 -11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.148 20.939 -12.560 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.665 21.784 -12.960 1.00 0.00 H new ATOM 0 HE ARG A 41 7.766 23.119 -14.353 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.197 19.911 -14.324 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.539 19.599 -16.029 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.196 22.710 -16.520 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.680 21.199 -17.277 1.00 0.00 H new ATOM 594 N GLN A 42 5.095 24.118 -7.936 1.00 0.00 N ATOM 595 CA GLN A 42 4.232 25.051 -7.231 1.00 0.00 C ATOM 596 C GLN A 42 4.364 24.858 -5.720 1.00 0.00 C ATOM 597 O GLN A 42 4.055 23.789 -5.197 1.00 0.00 O ATOM 598 CB GLN A 42 2.778 24.897 -7.679 1.00 0.00 C ATOM 599 CG GLN A 42 2.425 23.424 -7.902 1.00 0.00 C ATOM 600 CD GLN A 42 2.608 23.034 -9.370 1.00 0.00 C ATOM 601 OE1 GLN A 42 3.535 22.101 -9.571 1.00 0.00 O flip ATOM 602 NE2 GLN A 42 1.952 23.546 -10.262 1.00 0.00 N flip ATOM 0 H GLN A 42 4.914 23.134 -7.735 1.00 0.00 H new ATOM 0 HA GLN A 42 4.548 26.065 -7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.115 25.324 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.616 25.457 -8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.056 22.796 -7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.393 23.243 -7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.256 24.257 -10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.100 23.263 -11.231 1.00 0.00 H new ATOM 611 N PRO A 43 4.836 25.938 -5.041 1.00 0.00 N ATOM 612 CA PRO A 43 5.013 25.898 -3.600 1.00 0.00 C ATOM 613 C PRO A 43 3.667 25.992 -2.879 1.00 0.00 C ATOM 614 O PRO A 43 3.612 25.952 -1.651 1.00 0.00 O ATOM 615 CB PRO A 43 5.937 27.063 -3.284 1.00 0.00 C ATOM 616 CG PRO A 43 5.871 27.987 -4.491 1.00 0.00 C ATOM 617 CD PRO A 43 5.213 27.222 -5.627 1.00 0.00 C ATOM 0 HA PRO A 43 5.446 24.958 -3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.618 27.580 -2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.956 26.717 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.300 28.885 -4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.871 28.312 -4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.342 27.754 -6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.898 27.089 -6.464 1.00 0.00 H new ATOM 625 N ASP A 44 2.614 26.113 -3.675 1.00 0.00 N ATOM 626 CA ASP A 44 1.271 26.212 -3.128 1.00 0.00 C ATOM 627 C ASP A 44 0.574 24.856 -3.251 1.00 0.00 C ATOM 628 O ASP A 44 -0.633 24.753 -3.035 1.00 0.00 O ATOM 629 CB ASP A 44 0.439 27.243 -3.894 1.00 0.00 C ATOM 630 CG ASP A 44 -0.037 28.436 -3.063 1.00 0.00 C ATOM 631 OD1 ASP A 44 0.747 29.055 -2.328 1.00 0.00 O ATOM 632 OD2 ASP A 44 -1.287 28.727 -3.193 1.00 0.00 O ATOM 0 H ASP A 44 2.664 26.145 -4.693 1.00 0.00 H new ATOM 0 HA ASP A 44 1.353 26.518 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.030 27.615 -4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.432 26.743 -4.317 1.00 0.00 H new ATOM 638 N LEU A 45 1.363 23.850 -3.598 1.00 0.00 N ATOM 639 CA LEU A 45 0.836 22.504 -3.752 1.00 0.00 C ATOM 640 C LEU A 45 1.860 21.497 -3.224 1.00 0.00 C ATOM 641 O LEU A 45 1.768 20.305 -3.512 1.00 0.00 O ATOM 642 CB LEU A 45 0.421 22.255 -5.203 1.00 0.00 C ATOM 643 CG LEU A 45 -0.268 20.918 -5.484 1.00 0.00 C ATOM 644 CD1 LEU A 45 -1.784 21.094 -5.594 1.00 0.00 C ATOM 645 CD2 LEU A 45 0.323 20.246 -6.725 1.00 0.00 C ATOM 0 H LEU A 45 2.363 23.940 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.070 22.379 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.249 23.058 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.310 22.322 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.082 20.254 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.249 20.129 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.172 21.497 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.012 21.782 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.185 19.298 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.189 20.896 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.386 20.065 -6.569 1.00 0.00 H new ATOM 657 N ILE A 46 2.812 22.014 -2.461 1.00 0.00 N ATOM 658 CA ILE A 46 3.852 21.175 -1.891 1.00 0.00 C ATOM 659 C ILE A 46 3.286 20.419 -0.686 1.00 0.00 C ATOM 660 O ILE A 46 3.376 19.193 -0.620 1.00 0.00 O ATOM 661 CB ILE A 46 5.094 22.006 -1.567 1.00 0.00 C ATOM 662 CG1 ILE A 46 6.139 21.885 -2.679 1.00 0.00 C ATOM 663 CG2 ILE A 46 5.667 21.628 -0.199 1.00 0.00 C ATOM 664 CD1 ILE A 46 7.366 22.747 -2.373 1.00 0.00 C ATOM 0 H ILE A 46 2.885 23.004 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 46 4.178 20.427 -2.614 1.00 0.00 H new ATOM 0 HB ILE A 46 4.799 23.054 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.440 20.843 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.702 22.192 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.549 22.234 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.917 21.807 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.943 20.574 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.093 22.643 -3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.065 23.791 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.815 22.421 -1.435 1.00 0.00 H new ATOM 676 N PRO A 47 2.703 21.200 0.261 1.00 0.00 N ATOM 677 CA PRO A 47 2.124 20.619 1.460 1.00 0.00 C ATOM 678 C PRO A 47 0.789 19.939 1.150 1.00 0.00 C ATOM 679 O PRO A 47 0.139 19.400 2.044 1.00 0.00 O ATOM 680 CB PRO A 47 1.987 21.777 2.434 1.00 0.00 C ATOM 681 CG PRO A 47 2.059 23.040 1.592 1.00 0.00 C ATOM 682 CD PRO A 47 2.579 22.655 0.217 1.00 0.00 C ATOM 0 HA PRO A 47 2.744 19.830 1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.043 21.722 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.783 21.758 3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.075 23.502 1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.718 23.772 2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.892 22.970 -0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.539 23.128 0.010 1.00 0.00 H new ATOM 690 N LEU A 48 0.419 19.985 -0.123 1.00 0.00 N ATOM 691 CA LEU A 48 -0.826 19.381 -0.562 1.00 0.00 C ATOM 692 C LEU A 48 -0.555 17.951 -1.036 1.00 0.00 C ATOM 693 O LEU A 48 -1.029 16.992 -0.430 1.00 0.00 O ATOM 694 CB LEU A 48 -1.506 20.258 -1.615 1.00 0.00 C ATOM 695 CG LEU A 48 -2.570 21.227 -1.095 1.00 0.00 C ATOM 696 CD1 LEU A 48 -3.566 20.509 -0.183 1.00 0.00 C ATOM 697 CD2 LEU A 48 -1.925 22.431 -0.405 1.00 0.00 C ATOM 0 H LEU A 48 0.961 20.432 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.530 19.315 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.738 20.835 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.967 19.608 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.132 21.608 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.311 21.220 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.061 19.713 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.037 20.081 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.703 23.104 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.323 22.089 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.289 22.959 -1.115 1.00 0.00 H new ATOM 709 N LEU A 49 0.207 17.854 -2.115 1.00 0.00 N ATOM 710 CA LEU A 49 0.547 16.558 -2.677 1.00 0.00 C ATOM 711 C LEU A 49 1.394 15.776 -1.670 1.00 0.00 C ATOM 712 O LEU A 49 1.280 14.556 -1.573 1.00 0.00 O ATOM 713 CB LEU A 49 1.215 16.724 -4.044 1.00 0.00 C ATOM 714 CG LEU A 49 2.745 16.694 -4.051 1.00 0.00 C ATOM 715 CD1 LEU A 49 3.319 17.786 -3.146 1.00 0.00 C ATOM 716 CD2 LEU A 49 3.268 15.307 -3.677 1.00 0.00 C ATOM 0 H LEU A 49 0.599 18.652 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.355 15.974 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.853 15.934 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.888 17.671 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 49 3.086 16.904 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.408 17.743 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.987 18.763 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.971 17.632 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.358 15.314 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.918 15.043 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.901 14.574 -4.395 1.00 0.00 H new ATOM 728 N ARG A 50 2.225 16.513 -0.947 1.00 0.00 N ATOM 729 CA ARG A 50 3.090 15.905 0.049 1.00 0.00 C ATOM 730 C ARG A 50 2.254 15.202 1.121 1.00 0.00 C ATOM 731 O ARG A 50 2.222 13.973 1.181 1.00 0.00 O ATOM 732 CB ARG A 50 3.984 16.951 0.716 1.00 0.00 C ATOM 733 CG ARG A 50 4.754 16.347 1.892 1.00 0.00 C ATOM 734 CD ARG A 50 6.238 16.711 1.822 1.00 0.00 C ATOM 735 NE ARG A 50 6.767 16.948 3.184 1.00 0.00 N ATOM 736 CZ ARG A 50 7.126 15.966 4.038 1.00 0.00 C ATOM 737 NH1 ARG A 50 7.017 14.670 3.676 1.00 0.00 N ATOM 738 NH2 ARG A 50 7.586 16.293 5.231 1.00 0.00 N ATOM 0 H ARG A 50 2.317 17.525 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 50 3.721 15.177 -0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.686 17.353 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.375 17.785 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.332 16.706 2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.641 15.263 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.796 15.907 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.373 17.603 1.210 1.00 0.00 H new ATOM 0 HE ARG A 50 6.867 17.914 3.497 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.661 14.427 2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.290 13.934 4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.666 17.275 5.495 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.862 15.564 5.889 1.00 0.00 H new ATOM 752 N THR A 51 1.599 16.011 1.939 1.00 0.00 N ATOM 753 CA THR A 51 0.765 15.482 3.005 1.00 0.00 C ATOM 754 C THR A 51 0.008 14.242 2.525 1.00 0.00 C ATOM 755 O THR A 51 -0.093 13.253 3.249 1.00 0.00 O ATOM 756 CB THR A 51 -0.154 16.606 3.489 1.00 0.00 C ATOM 757 OG1 THR A 51 0.742 17.629 3.913 1.00 0.00 O ATOM 758 CG2 THR A 51 -0.919 16.230 4.759 1.00 0.00 C ATOM 0 H THR A 51 1.628 17.029 1.886 1.00 0.00 H new ATOM 0 HA THR A 51 1.368 15.149 3.850 1.00 0.00 H new ATOM 0 HB THR A 51 -0.862 16.861 2.701 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.842 18.293 3.199 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.556 17.062 5.060 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.536 15.352 4.566 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.211 16.008 5.558 1.00 0.00 H new ATOM 766 N GLN A 52 -0.505 14.336 1.307 1.00 0.00 N ATOM 767 CA GLN A 52 -1.250 13.235 0.721 1.00 0.00 C ATOM 768 C GLN A 52 -0.368 11.987 0.629 1.00 0.00 C ATOM 769 O GLN A 52 -0.715 10.936 1.163 1.00 0.00 O ATOM 770 CB GLN A 52 -1.806 13.617 -0.652 1.00 0.00 C ATOM 771 CG GLN A 52 -3.319 13.831 -0.591 1.00 0.00 C ATOM 772 CD GLN A 52 -4.001 13.281 -1.845 1.00 0.00 C ATOM 773 OE1 GLN A 52 -4.961 12.530 -1.783 1.00 0.00 O ATOM 774 NE2 GLN A 52 -3.455 13.696 -2.984 1.00 0.00 N ATOM 0 H GLN A 52 -0.419 15.158 0.710 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.098 13.010 1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.320 14.527 -1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.575 12.833 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.724 13.339 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.536 14.895 -0.491 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.652 14.325 -2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.839 13.386 -3.877 1.00 0.00 H new ATOM 783 N PHE A 53 0.756 12.146 -0.054 1.00 0.00 N ATOM 784 CA PHE A 53 1.690 11.047 -0.223 1.00 0.00 C ATOM 785 C PHE A 53 1.901 10.298 1.094 1.00 0.00 C ATOM 786 O PHE A 53 1.969 9.069 1.110 1.00 0.00 O ATOM 787 CB PHE A 53 3.022 11.656 -0.668 1.00 0.00 C ATOM 788 CG PHE A 53 4.171 10.648 -0.750 1.00 0.00 C ATOM 789 CD1 PHE A 53 4.021 9.504 -1.472 1.00 0.00 C ATOM 790 CD2 PHE A 53 5.340 10.894 -0.101 1.00 0.00 C ATOM 791 CE1 PHE A 53 5.087 8.569 -1.548 1.00 0.00 C ATOM 792 CE2 PHE A 53 6.406 9.959 -0.177 1.00 0.00 C ATOM 793 CZ PHE A 53 6.256 8.816 -0.899 1.00 0.00 C ATOM 0 H PHE A 53 1.041 13.020 -0.497 1.00 0.00 H new ATOM 0 HA PHE A 53 1.301 10.339 -0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.889 12.120 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.297 12.449 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.092 9.308 -1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.458 11.801 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.969 7.661 -2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.335 10.155 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.066 8.104 -0.957 1.00 0.00 H new ATOM 803 N PHE A 54 1.998 11.068 2.168 1.00 0.00 N ATOM 804 CA PHE A 54 2.199 10.494 3.487 1.00 0.00 C ATOM 805 C PHE A 54 1.072 9.519 3.838 1.00 0.00 C ATOM 806 O PHE A 54 1.320 8.337 4.069 1.00 0.00 O ATOM 807 CB PHE A 54 2.186 11.651 4.486 1.00 0.00 C ATOM 808 CG PHE A 54 3.132 11.461 5.672 1.00 0.00 C ATOM 809 CD1 PHE A 54 4.477 11.561 5.491 1.00 0.00 C ATOM 810 CD2 PHE A 54 2.631 11.192 6.907 1.00 0.00 C ATOM 811 CE1 PHE A 54 5.357 11.384 6.592 1.00 0.00 C ATOM 812 CE2 PHE A 54 3.510 11.016 8.009 1.00 0.00 C ATOM 813 CZ PHE A 54 4.855 11.115 7.828 1.00 0.00 C ATOM 0 H PHE A 54 1.941 12.086 2.151 1.00 0.00 H new ATOM 0 HA PHE A 54 3.140 9.945 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.454 12.570 3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.171 11.782 4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.875 11.775 4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.564 11.112 7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.424 11.463 6.448 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.111 10.804 8.990 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.524 10.980 8.665 1.00 0.00 H new ATOM 823 N ILE A 55 -0.140 10.052 3.866 1.00 0.00 N ATOM 824 CA ILE A 55 -1.305 9.244 4.185 1.00 0.00 C ATOM 825 C ILE A 55 -1.394 8.075 3.201 1.00 0.00 C ATOM 826 O ILE A 55 -1.860 6.994 3.558 1.00 0.00 O ATOM 827 CB ILE A 55 -2.565 10.112 4.224 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.705 10.813 5.577 1.00 0.00 C ATOM 829 CG2 ILE A 55 -3.807 9.292 3.873 1.00 0.00 C ATOM 830 CD1 ILE A 55 -2.906 12.319 5.396 1.00 0.00 C ATOM 0 H ILE A 55 -0.341 11.033 3.673 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.210 8.816 5.183 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.468 10.889 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.550 10.393 6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.815 10.631 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.688 9.933 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.699 8.879 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.921 8.479 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.003 12.793 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.048 12.740 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.810 12.498 4.815 1.00 0.00 H new ATOM 842 N VAL A 56 -0.941 8.333 1.983 1.00 0.00 N ATOM 843 CA VAL A 56 -0.963 7.315 0.946 1.00 0.00 C ATOM 844 C VAL A 56 0.064 6.233 1.277 1.00 0.00 C ATOM 845 O VAL A 56 -0.123 5.066 0.933 1.00 0.00 O ATOM 846 CB VAL A 56 -0.734 7.959 -0.423 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.851 6.922 -1.543 1.00 0.00 C ATOM 848 CG2 VAL A 56 -1.701 9.122 -0.651 1.00 0.00 C ATOM 0 H VAL A 56 -0.557 9.232 1.691 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.940 6.833 0.905 1.00 0.00 H new ATOM 0 HB VAL A 56 0.280 8.358 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.684 7.406 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.105 6.141 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.847 6.480 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.517 9.562 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.727 8.757 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.550 9.878 0.120 1.00 0.00 H new ATOM 858 N MET A 57 1.130 6.656 1.941 1.00 0.00 N ATOM 859 CA MET A 57 2.188 5.736 2.323 1.00 0.00 C ATOM 860 C MET A 57 1.668 4.672 3.292 1.00 0.00 C ATOM 861 O MET A 57 1.896 3.480 3.091 1.00 0.00 O ATOM 862 CB MET A 57 3.328 6.515 2.984 1.00 0.00 C ATOM 863 CG MET A 57 4.689 5.984 2.532 1.00 0.00 C ATOM 864 SD MET A 57 5.297 4.783 3.705 1.00 0.00 S ATOM 865 CE MET A 57 6.062 5.871 4.894 1.00 0.00 C ATOM 0 H MET A 57 1.284 7.624 2.224 1.00 0.00 H new ATOM 0 HA MET A 57 2.550 5.236 1.425 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.244 7.572 2.732 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.245 6.438 4.068 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.601 5.529 1.545 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.398 6.807 2.441 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.496 5.281 5.701 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.846 6.450 4.406 1.00 0.00 H new ATOM 0 HE3 MET A 57 5.312 6.548 5.302 1.00 0.00 H new ATOM 875 N GLY A 58 0.978 5.142 4.321 1.00 0.00 N ATOM 876 CA GLY A 58 0.423 4.246 5.321 1.00 0.00 C ATOM 877 C GLY A 58 -0.541 3.243 4.684 1.00 0.00 C ATOM 878 O GLY A 58 -0.354 2.034 4.805 1.00 0.00 O ATOM 0 H GLY A 58 0.791 6.131 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.229 3.712 5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.099 4.824 6.083 1.00 0.00 H new ATOM 882 N LEU A 59 -1.553 3.783 4.021 1.00 0.00 N ATOM 883 CA LEU A 59 -2.547 2.952 3.365 1.00 0.00 C ATOM 884 C LEU A 59 -1.849 2.004 2.388 1.00 0.00 C ATOM 885 O LEU A 59 -2.157 0.814 2.346 1.00 0.00 O ATOM 886 CB LEU A 59 -3.626 3.819 2.714 1.00 0.00 C ATOM 887 CG LEU A 59 -3.326 4.311 1.296 1.00 0.00 C ATOM 888 CD1 LEU A 59 -3.575 3.205 0.268 1.00 0.00 C ATOM 889 CD2 LEU A 59 -4.121 5.580 0.976 1.00 0.00 C ATOM 0 H LEU A 59 -1.706 4.787 3.924 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.066 2.332 4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.556 3.251 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.799 4.687 3.350 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.269 4.570 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.354 3.581 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.930 2.354 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.618 2.892 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.890 5.909 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.188 5.371 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.852 6.365 1.682 1.00 0.00 H new ATOM 901 N VAL A 60 -0.921 2.566 1.629 1.00 0.00 N ATOM 902 CA VAL A 60 -0.176 1.785 0.655 1.00 0.00 C ATOM 903 C VAL A 60 0.454 0.577 1.352 1.00 0.00 C ATOM 904 O VAL A 60 0.509 -0.512 0.784 1.00 0.00 O ATOM 905 CB VAL A 60 0.852 2.672 -0.051 1.00 0.00 C ATOM 906 CG1 VAL A 60 2.007 1.836 -0.606 1.00 0.00 C ATOM 907 CG2 VAL A 60 0.194 3.501 -1.156 1.00 0.00 C ATOM 0 H VAL A 60 -0.667 3.553 1.668 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.842 1.403 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 60 1.262 3.363 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.724 2.490 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.501 1.310 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.620 1.111 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.946 4.122 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.256 2.835 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.578 4.137 -0.723 1.00 0.00 H new ATOM 917 N ASN A 61 0.912 0.811 2.573 1.00 0.00 N ATOM 918 CA ASN A 61 1.536 -0.245 3.353 1.00 0.00 C ATOM 919 C ASN A 61 0.449 -1.091 4.019 1.00 0.00 C ATOM 920 O ASN A 61 0.706 -2.217 4.442 1.00 0.00 O ATOM 921 CB ASN A 61 2.424 0.336 4.454 1.00 0.00 C ATOM 922 CG ASN A 61 3.849 0.568 3.945 1.00 0.00 C ATOM 923 OD1 ASN A 61 3.914 0.936 2.668 1.00 0.00 O flip ATOM 924 ND2 ASN A 61 4.825 0.422 4.662 1.00 0.00 N flip ATOM 0 H ASN A 61 0.864 1.716 3.041 1.00 0.00 H new ATOM 0 HA ASN A 61 2.145 -0.848 2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.003 1.277 4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.445 -0.344 5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.706 0.138 5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.760 0.584 4.289 1.00 0.00 H new ATOM 931 N ALA A 62 -0.742 -0.516 4.092 1.00 0.00 N ATOM 932 CA ALA A 62 -1.869 -1.202 4.700 1.00 0.00 C ATOM 933 C ALA A 62 -2.556 -2.076 3.648 1.00 0.00 C ATOM 934 O ALA A 62 -3.478 -2.826 3.965 1.00 0.00 O ATOM 935 CB ALA A 62 -2.820 -0.176 5.318 1.00 0.00 C ATOM 0 H ALA A 62 -0.951 0.418 3.740 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.531 -1.857 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.665 -0.692 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.291 0.398 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.182 0.498 4.542 1.00 0.00 H new ATOM 941 N ILE A 63 -2.080 -1.949 2.418 1.00 0.00 N ATOM 942 CA ILE A 63 -2.638 -2.717 1.318 1.00 0.00 C ATOM 943 C ILE A 63 -2.190 -4.175 1.441 1.00 0.00 C ATOM 944 O ILE A 63 -3.021 -5.082 1.480 1.00 0.00 O ATOM 945 CB ILE A 63 -2.275 -2.073 -0.022 1.00 0.00 C ATOM 946 CG1 ILE A 63 -3.409 -1.176 -0.523 1.00 0.00 C ATOM 947 CG2 ILE A 63 -1.887 -3.135 -1.053 1.00 0.00 C ATOM 948 CD1 ILE A 63 -2.926 -0.260 -1.651 1.00 0.00 C ATOM 0 H ILE A 63 -1.315 -1.326 2.159 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.727 -2.713 1.363 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.403 -1.437 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.235 -1.792 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.792 -0.574 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.634 -2.651 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.026 -3.697 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.725 -3.815 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.751 0.367 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.116 0.372 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.566 -0.866 -2.483 1.00 0.00 H new ATOM 960 N PRO A 64 -0.844 -4.359 1.500 1.00 0.00 N ATOM 961 CA PRO A 64 -0.276 -5.692 1.617 1.00 0.00 C ATOM 962 C PRO A 64 -0.447 -6.238 3.037 1.00 0.00 C ATOM 963 O PRO A 64 -0.729 -7.421 3.221 1.00 0.00 O ATOM 964 CB PRO A 64 1.181 -5.535 1.214 1.00 0.00 C ATOM 965 CG PRO A 64 1.489 -4.052 1.334 1.00 0.00 C ATOM 966 CD PRO A 64 0.169 -3.309 1.456 1.00 0.00 C ATOM 0 HA PRO A 64 -0.777 -6.420 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.831 -6.123 1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.345 -5.887 0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.116 -3.862 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.043 -3.705 0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.142 -2.695 2.356 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.011 -2.641 0.609 1.00 0.00 H new ATOM 974 N MET A 65 -0.272 -5.349 4.003 1.00 0.00 N ATOM 975 CA MET A 65 -0.403 -5.727 5.400 1.00 0.00 C ATOM 976 C MET A 65 -1.799 -6.285 5.687 1.00 0.00 C ATOM 977 O MET A 65 -1.942 -7.257 6.428 1.00 0.00 O ATOM 978 CB MET A 65 -0.150 -4.506 6.286 1.00 0.00 C ATOM 979 CG MET A 65 -0.188 -4.885 7.767 1.00 0.00 C ATOM 980 SD MET A 65 -0.268 -3.412 8.774 1.00 0.00 S ATOM 981 CE MET A 65 1.090 -3.726 9.890 1.00 0.00 C ATOM 0 H MET A 65 -0.041 -4.368 3.846 1.00 0.00 H new ATOM 0 HA MET A 65 0.331 -6.503 5.618 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.819 -4.071 6.043 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.902 -3.743 6.083 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.052 -5.519 7.966 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.699 -5.464 8.025 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.182 -2.898 10.593 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.904 -4.649 10.439 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.014 -3.823 9.320 1.00 0.00 H new ATOM 991 N ILE A 66 -2.792 -5.646 5.087 1.00 0.00 N ATOM 992 CA ILE A 66 -4.171 -6.067 5.268 1.00 0.00 C ATOM 993 C ILE A 66 -4.463 -7.256 4.351 1.00 0.00 C ATOM 994 O ILE A 66 -5.313 -8.089 4.660 1.00 0.00 O ATOM 995 CB ILE A 66 -5.123 -4.887 5.066 1.00 0.00 C ATOM 996 CG1 ILE A 66 -4.841 -3.775 6.079 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.582 -5.344 5.108 1.00 0.00 C ATOM 998 CD1 ILE A 66 -5.638 -2.513 5.744 1.00 0.00 C ATOM 0 H ILE A 66 -2.669 -4.839 4.475 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.333 -6.406 6.291 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.945 -4.472 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.099 -4.117 7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.775 -3.546 6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.237 -4.485 4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.758 -6.073 4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.793 -5.800 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.419 -1.739 6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.360 -2.160 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.704 -2.740 5.763 1.00 0.00 H new ATOM 1010 N ALA A 67 -3.739 -7.298 3.242 1.00 0.00 N ATOM 1011 CA ALA A 67 -3.910 -8.371 2.277 1.00 0.00 C ATOM 1012 C ALA A 67 -3.382 -9.677 2.875 1.00 0.00 C ATOM 1013 O ALA A 67 -4.160 -10.573 3.200 1.00 0.00 O ATOM 1014 CB ALA A 67 -3.204 -8.001 0.971 1.00 0.00 C ATOM 0 H ALA A 67 -3.033 -6.606 2.990 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.966 -8.516 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.332 -8.806 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.635 -7.082 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.141 -7.851 1.162 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.065 -9.743 3.003 1.00 0.00 N ATOM 1021 CA VAL A 68 -1.425 -10.924 3.556 1.00 0.00 C ATOM 1022 C VAL A 68 -1.889 -11.120 5.001 1.00 0.00 C ATOM 1023 O VAL A 68 -1.984 -12.250 5.478 1.00 0.00 O ATOM 1024 CB VAL A 68 0.094 -10.804 3.426 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.785 -12.100 3.859 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.494 -10.421 2.000 1.00 0.00 C ATOM 0 H VAL A 68 -1.424 -8.997 2.733 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.716 -11.814 2.998 1.00 0.00 H new ATOM 0 HB VAL A 68 0.425 -10.008 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.864 -11.988 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.539 -12.314 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.444 -12.922 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.579 -10.342 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.143 -11.185 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.045 -9.462 1.741 1.00 0.00 H new ATOM 1036 N GLY A 69 -2.163 -10.002 5.657 1.00 0.00 N ATOM 1037 CA GLY A 69 -2.613 -10.036 7.038 1.00 0.00 C ATOM 1038 C GLY A 69 -3.821 -10.961 7.198 1.00 0.00 C ATOM 1039 O GLY A 69 -3.852 -11.798 8.099 1.00 0.00 O ATOM 0 H GLY A 69 -2.082 -9.067 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.801 -10.377 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.875 -9.029 7.364 1.00 0.00 H new ATOM 1043 N LEU A 70 -4.787 -10.780 6.310 1.00 0.00 N ATOM 1044 CA LEU A 70 -5.995 -11.587 6.341 1.00 0.00 C ATOM 1045 C LEU A 70 -5.654 -13.021 5.930 1.00 0.00 C ATOM 1046 O LEU A 70 -5.864 -13.957 6.699 1.00 0.00 O ATOM 1047 CB LEU A 70 -7.090 -10.946 5.488 1.00 0.00 C ATOM 1048 CG LEU A 70 -8.310 -10.419 6.248 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -9.044 -9.352 5.432 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -9.236 -11.564 6.660 1.00 0.00 C ATOM 0 H LEU A 70 -4.758 -10.085 5.564 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.398 -11.632 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.651 -10.120 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.431 -11.680 4.758 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.963 -9.942 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.907 -8.994 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.370 -8.519 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.379 -9.782 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.094 -11.162 7.198 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.580 -12.092 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.695 -12.256 7.306 1.00 0.00 H new ATOM 1062 N GLY A 71 -5.135 -13.147 4.718 1.00 0.00 N ATOM 1063 CA GLY A 71 -4.764 -14.451 4.195 1.00 0.00 C ATOM 1064 C GLY A 71 -4.119 -15.314 5.282 1.00 0.00 C ATOM 1065 O GLY A 71 -4.458 -16.487 5.430 1.00 0.00 O ATOM 0 H GLY A 71 -4.962 -12.368 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.648 -14.954 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.071 -14.329 3.363 1.00 0.00 H new ATOM 1069 N LEU A 72 -3.200 -14.701 6.013 1.00 0.00 N ATOM 1070 CA LEU A 72 -2.505 -15.398 7.081 1.00 0.00 C ATOM 1071 C LEU A 72 -3.492 -15.711 8.207 1.00 0.00 C ATOM 1072 O LEU A 72 -3.684 -16.873 8.564 1.00 0.00 O ATOM 1073 CB LEU A 72 -1.285 -14.597 7.539 1.00 0.00 C ATOM 1074 CG LEU A 72 0.079 -15.206 7.210 1.00 0.00 C ATOM 1075 CD1 LEU A 72 1.198 -14.484 7.963 1.00 0.00 C ATOM 1076 CD2 LEU A 72 0.087 -16.713 7.479 1.00 0.00 C ATOM 0 H LEU A 72 -2.920 -13.728 5.886 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.116 -16.351 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.336 -13.606 7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.349 -14.461 8.619 1.00 0.00 H new ATOM 0 HG LEU A 72 0.266 -15.068 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.157 -14.937 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.208 -13.432 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.028 -14.568 9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.068 -17.121 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.132 -16.896 8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.669 -17.197 6.861 1.00 0.00 H new ATOM 1088 N TYR A 73 -4.094 -14.655 8.735 1.00 0.00 N ATOM 1089 CA TYR A 73 -5.057 -14.803 9.813 1.00 0.00 C ATOM 1090 C TYR A 73 -5.965 -16.010 9.574 1.00 0.00 C ATOM 1091 O TYR A 73 -6.237 -16.780 10.495 1.00 0.00 O ATOM 1092 CB TYR A 73 -5.906 -13.530 9.797 1.00 0.00 C ATOM 1093 CG TYR A 73 -7.265 -13.679 10.484 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -7.338 -13.750 11.860 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -8.417 -13.746 9.727 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -8.617 -13.891 12.507 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -9.696 -13.887 10.374 1.00 0.00 C ATOM 1098 CZ TYR A 73 -9.733 -13.953 11.732 1.00 0.00 C ATOM 1099 OH TYR A 73 -10.941 -14.085 12.342 1.00 0.00 O ATOM 0 H TYR A 73 -3.933 -13.693 8.436 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.548 -14.954 10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.350 -12.729 10.284 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.065 -13.225 8.763 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.436 -13.700 12.452 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.359 -13.693 8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.688 -13.946 13.583 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.605 -13.939 9.794 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.648 -14.115 11.664 1.00 0.00 H new ATOM 1109 N VAL A 74 -6.411 -16.140 8.332 1.00 0.00 N ATOM 1110 CA VAL A 74 -7.284 -17.240 7.962 1.00 0.00 C ATOM 1111 C VAL A 74 -6.542 -18.563 8.162 1.00 0.00 C ATOM 1112 O VAL A 74 -6.940 -19.382 8.988 1.00 0.00 O ATOM 1113 CB VAL A 74 -7.788 -17.048 6.530 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -8.651 -18.232 6.089 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -8.553 -15.730 6.390 1.00 0.00 C ATOM 0 H VAL A 74 -6.183 -15.501 7.570 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.165 -17.261 8.603 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.920 -17.003 5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.996 -18.070 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.062 -19.148 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.511 -18.323 6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.900 -15.618 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.409 -15.733 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.895 -14.899 6.643 1.00 0.00 H new ATOM 1125 N MET A 75 -5.477 -18.730 7.391 1.00 0.00 N ATOM 1126 CA MET A 75 -4.677 -19.941 7.473 1.00 0.00 C ATOM 1127 C MET A 75 -4.471 -20.363 8.929 1.00 0.00 C ATOM 1128 O MET A 75 -4.661 -21.528 9.275 1.00 0.00 O ATOM 1129 CB MET A 75 -3.318 -19.698 6.814 1.00 0.00 C ATOM 1130 CG MET A 75 -2.727 -21.005 6.281 1.00 0.00 C ATOM 1131 SD MET A 75 -1.339 -21.502 7.286 1.00 0.00 S ATOM 1132 CE MET A 75 -1.728 -23.228 7.521 1.00 0.00 C ATOM 0 H MET A 75 -5.150 -18.048 6.707 1.00 0.00 H new ATOM 0 HA MET A 75 -5.205 -20.741 6.954 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.428 -18.984 5.997 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.634 -19.253 7.536 1.00 0.00 H new ATOM 0 HG2 MET A 75 -3.487 -21.786 6.285 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.409 -20.875 5.246 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.956 -23.695 8.133 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.692 -23.319 8.022 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.774 -23.726 6.552 1.00 0.00 H new ATOM 1142 N PHE A 76 -4.083 -19.393 9.744 1.00 0.00 N ATOM 1143 CA PHE A 76 -3.849 -19.650 11.155 1.00 0.00 C ATOM 1144 C PHE A 76 -5.159 -19.961 11.881 1.00 0.00 C ATOM 1145 O PHE A 76 -5.184 -20.774 12.803 1.00 0.00 O ATOM 1146 CB PHE A 76 -3.242 -18.376 11.747 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.211 -18.632 12.848 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -2.614 -18.756 14.142 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -0.892 -18.734 12.535 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -1.658 -18.992 15.164 1.00 0.00 C ATOM 1151 CE2 PHE A 76 0.065 -18.972 13.557 1.00 0.00 C ATOM 1152 CZ PHE A 76 -0.339 -19.095 14.850 1.00 0.00 C ATOM 0 H PHE A 76 -3.925 -18.428 9.454 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.188 -20.509 11.272 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.770 -17.805 10.947 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.044 -17.757 12.151 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.662 -18.675 14.391 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.572 -18.634 11.508 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.978 -19.090 16.191 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.113 -19.055 13.308 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.388 -19.275 15.628 1.00 0.00 H new ATOM 1162 N ALA A 77 -6.216 -19.297 11.437 1.00 0.00 N ATOM 1163 CA ALA A 77 -7.527 -19.493 12.033 1.00 0.00 C ATOM 1164 C ALA A 77 -7.957 -20.948 11.843 1.00 0.00 C ATOM 1165 O ALA A 77 -8.043 -21.705 12.808 1.00 0.00 O ATOM 1166 CB ALA A 77 -8.520 -18.506 11.416 1.00 0.00 C ATOM 0 H ALA A 77 -6.192 -18.623 10.672 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.495 -19.297 13.105 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.504 -18.652 11.862 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.184 -17.486 11.604 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.581 -18.675 10.341 1.00 0.00 H new ATOM 1172 N VAL A 78 -8.214 -21.297 10.591 1.00 0.00 N ATOM 1173 CA VAL A 78 -8.633 -22.649 10.261 1.00 0.00 C ATOM 1174 C VAL A 78 -7.554 -23.636 10.710 1.00 0.00 C ATOM 1175 O VAL A 78 -7.861 -24.757 11.113 1.00 0.00 O ATOM 1176 CB VAL A 78 -8.952 -22.749 8.769 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -9.997 -21.708 8.360 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -7.683 -22.612 7.926 1.00 0.00 C ATOM 0 H VAL A 78 -8.140 -20.667 9.792 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.549 -22.905 10.792 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.373 -23.737 8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.205 -21.801 7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.915 -21.872 8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.616 -20.708 8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.939 -22.687 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.220 -21.644 8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.985 -23.407 8.188 1.00 0.00 H new ATOM 1188 N ALA A 79 -6.311 -23.184 10.624 1.00 0.00 N ATOM 1189 CA ALA A 79 -5.184 -24.013 11.015 1.00 0.00 C ATOM 1190 C ALA A 79 -5.011 -25.144 9.999 1.00 0.00 C ATOM 1191 O ALA A 79 -5.229 -24.949 8.804 1.00 0.00 O ATOM 1192 CB ALA A 79 -5.403 -24.535 12.437 1.00 0.00 C ATOM 0 H ALA A 79 -6.060 -22.254 10.289 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.263 -23.430 11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.557 -25.157 12.730 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.490 -23.693 13.124 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.318 -25.127 12.470 1.00 0.00 H new TER 1198 ALA A 79