USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 170:sc= -0.789 (180deg=-0.935) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.826 (180deg=0.502) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= 0.488 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 0.634 (180deg=0.0581) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= 3.17 (180deg=0.158) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 0.947 (180deg=0.83) USER MOD Single : A 31 GLN : amide:sc= -0.885 K(o=-0.88,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0308) USER MOD Single : A 40 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.28) USER MOD Single : A 41 GLN : amide:sc= -0.882 K(o=-0.88,f=-7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -76:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.567 USER MOD Single : A 60 ASN : amide:sc= -0.0347 X(o=-0.035,f=-0.058) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 108:sc= 0.564 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.495 3.740 -2.521 1.00 9.67 N ATOM 2 CA MET A 1 -13.011 4.412 -1.295 1.00 10.38 C ATOM 3 C MET A 1 -11.565 4.770 -1.315 1.00 9.62 C ATOM 4 O MET A 1 -10.755 4.240 -2.075 1.00 9.62 O ATOM 5 CB MET A 1 -13.440 3.616 -0.050 1.00 13.77 C ATOM 6 CG MET A 1 -12.905 2.194 0.133 1.00 16.29 C ATOM 7 SD MET A 1 -11.197 2.119 0.750 1.00 17.17 S ATOM 8 CE MET A 1 -11.072 0.336 0.424 1.00 16.11 C ATOM 0 H1 MET A 1 -14.350 3.191 -2.301 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.718 4.454 -3.243 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.757 3.102 -2.882 1.00 9.67 H new ATOM 0 HA MET A 1 -13.497 5.387 -1.251 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.150 4.194 0.828 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.529 3.562 -0.051 1.00 13.77 H new ATOM 0 HG2 MET A 1 -13.554 1.659 0.826 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.959 1.671 -0.822 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.037 0.015 0.546 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.706 -0.207 1.125 1.00 16.11 H new ATOM 0 HE3 MET A 1 -11.398 0.129 -0.595 1.00 16.11 H new ATOM 20 N GLN A 2 -11.126 5.715 -0.465 1.00 9.27 N ATOM 21 CA GLN A 2 -9.737 6.011 -0.303 1.00 9.07 C ATOM 22 C GLN A 2 -9.027 5.602 0.943 1.00 8.72 C ATOM 23 O GLN A 2 -9.647 5.315 1.966 1.00 8.22 O ATOM 24 CB GLN A 2 -9.533 7.530 -0.422 1.00 14.46 C ATOM 25 CG GLN A 2 -10.255 8.241 -1.569 1.00 17.01 C ATOM 26 CD GLN A 2 -9.978 9.731 -1.713 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.434 10.024 -2.776 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.430 10.560 -0.734 1.00 19.49 N ATOM 0 H GLN A 2 -11.743 6.281 0.117 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.296 5.395 -1.087 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.851 7.989 0.514 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.465 7.721 -0.524 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.983 7.750 -2.503 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.328 8.103 -1.437 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.865 10.171 0.103 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.334 11.570 -0.837 1.00 19.49 H new ATOM 37 N ILE A 3 -7.698 5.459 0.800 1.00 5.87 N ATOM 38 CA ILE A 3 -6.786 5.101 1.842 1.00 5.07 C ATOM 39 C ILE A 3 -5.576 5.954 1.668 1.00 4.01 C ATOM 40 O ILE A 3 -5.291 6.346 0.538 1.00 4.61 O ATOM 41 CB ILE A 3 -6.354 3.675 2.019 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.914 3.061 0.679 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.558 2.815 2.439 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.689 2.154 0.778 1.00 10.83 C ATOM 0 H ILE A 3 -7.233 5.602 -0.096 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.364 5.261 2.752 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.549 3.683 2.754 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.744 2.488 0.265 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.700 3.866 -0.024 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.239 1.780 2.566 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.962 3.189 3.380 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.328 2.865 1.669 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.445 1.763 -0.210 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.843 2.725 1.161 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.903 1.326 1.454 1.00 10.83 H new ATOM 56 N PHE A 4 -4.804 6.218 2.737 1.00 4.55 N ATOM 57 CA PHE A 4 -3.610 7.003 2.712 1.00 4.68 C ATOM 58 C PHE A 4 -2.492 6.028 2.860 1.00 5.30 C ATOM 59 O PHE A 4 -2.501 5.354 3.888 1.00 5.58 O ATOM 60 CB PHE A 4 -3.558 7.999 3.883 1.00 4.83 C ATOM 61 CG PHE A 4 -4.848 8.698 4.140 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.368 9.427 3.097 1.00 8.34 C ATOM 63 CD2 PHE A 4 -5.392 8.833 5.396 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.527 10.136 3.307 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.585 9.499 5.542 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.191 10.176 4.510 1.00 8.90 C ATOM 0 H PHE A 4 -5.025 5.865 3.668 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.556 7.585 1.792 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.258 7.467 4.786 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.787 8.743 3.680 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.877 9.442 2.135 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -4.888 8.420 6.257 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.940 10.694 2.479 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.067 9.490 6.508 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.125 10.703 4.636 1.00 8.90 H new ATOM 76 N VAL A 5 -1.485 6.016 1.968 1.00 4.44 N ATOM 77 CA VAL A 5 -0.342 5.167 2.095 1.00 3.87 C ATOM 78 C VAL A 5 0.866 5.994 2.372 1.00 4.93 C ATOM 79 O VAL A 5 1.213 6.879 1.591 1.00 6.84 O ATOM 80 CB VAL A 5 0.004 4.336 0.894 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.109 3.312 1.203 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.221 3.546 0.404 1.00 9.13 C ATOM 0 H VAL A 5 -1.465 6.610 1.139 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.619 4.486 2.900 1.00 3.87 H new ATOM 0 HB VAL A 5 0.349 5.035 0.132 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.328 2.732 0.307 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.009 3.835 1.527 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.774 2.643 1.995 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.946 2.951 -0.467 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.570 2.886 1.198 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.017 4.240 0.133 1.00 9.13 H new ATOM 92 N LYS A 6 1.347 5.886 3.623 1.00 6.04 N ATOM 93 CA LYS A 6 2.328 6.808 4.104 1.00 6.12 C ATOM 94 C LYS A 6 3.686 6.212 3.960 1.00 6.57 C ATOM 95 O LYS A 6 3.853 5.035 4.275 1.00 5.76 O ATOM 96 CB LYS A 6 2.107 7.194 5.577 1.00 7.45 C ATOM 97 CG LYS A 6 0.784 7.961 5.632 1.00 11.12 C ATOM 98 CD LYS A 6 0.662 8.682 6.976 1.00 14.54 C ATOM 99 CE LYS A 6 -0.613 9.508 7.159 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.563 10.355 8.371 1.00 20.55 N ATOM 0 H LYS A 6 1.062 5.172 4.293 1.00 6.04 H new ATOM 0 HA LYS A 6 2.235 7.714 3.506 1.00 6.12 H new ATOM 0 HB2 LYS A 6 2.067 6.307 6.209 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.928 7.810 5.944 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.736 8.682 4.816 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.052 7.274 5.500 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.713 7.941 7.774 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.523 9.340 7.097 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.763 10.139 6.283 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.471 8.839 7.221 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.448 10.896 8.453 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.446 9.753 9.211 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.240 11.013 8.302 1.00 20.55 H new ATOM 114 N THR A 7 4.634 7.029 3.468 1.00 7.41 N ATOM 115 CA THR A 7 5.998 6.648 3.270 1.00 7.48 C ATOM 116 C THR A 7 6.766 6.638 4.547 1.00 8.75 C ATOM 117 O THR A 7 6.271 7.015 5.608 1.00 8.58 O ATOM 118 CB THR A 7 6.656 7.411 2.160 1.00 9.61 C ATOM 119 OG1 THR A 7 7.092 8.701 2.563 1.00 11.78 O ATOM 120 CG2 THR A 7 5.653 7.535 1.000 1.00 9.17 C ATOM 0 H THR A 7 4.443 7.994 3.197 1.00 7.41 H new ATOM 0 HA THR A 7 5.997 5.613 2.927 1.00 7.48 H new ATOM 0 HB THR A 7 7.548 6.865 1.853 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.652 9.092 1.860 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.112 8.088 0.180 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.372 6.540 0.654 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.764 8.065 1.343 1.00 9.17 H new ATOM 128 N LEU A 8 8.006 6.119 4.507 1.00 9.84 N ATOM 129 CA LEU A 8 8.891 6.060 5.628 1.00 14.15 C ATOM 130 C LEU A 8 9.120 7.326 6.379 1.00 17.37 C ATOM 131 O LEU A 8 8.862 7.468 7.574 1.00 17.01 O ATOM 132 CB LEU A 8 10.222 5.494 5.105 1.00 16.63 C ATOM 133 CG LEU A 8 11.246 4.993 6.137 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.672 3.931 7.090 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.519 4.479 5.443 1.00 19.31 C ATOM 0 H LEU A 8 8.409 5.724 3.657 1.00 9.84 H new ATOM 0 HA LEU A 8 8.409 5.430 6.375 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.993 4.667 4.433 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.702 6.268 4.506 1.00 16.63 H new ATOM 0 HG LEU A 8 11.506 5.852 6.755 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.444 3.618 7.794 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.830 4.352 7.639 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.336 3.069 6.514 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.228 4.130 6.194 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.263 3.656 4.776 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.970 5.286 4.866 1.00 19.31 H new ATOM 147 N THR A 9 9.575 8.375 5.672 1.00 18.33 N ATOM 148 CA THR A 9 9.842 9.644 6.275 1.00 19.24 C ATOM 149 C THR A 9 8.586 10.445 6.315 1.00 19.48 C ATOM 150 O THR A 9 8.041 10.616 7.404 1.00 23.14 O ATOM 151 CB THR A 9 10.919 10.421 5.578 1.00 18.97 C ATOM 152 OG1 THR A 9 10.798 10.522 4.167 1.00 20.24 O ATOM 153 CG2 THR A 9 12.278 9.787 5.919 1.00 19.70 C ATOM 0 H THR A 9 9.760 8.343 4.669 1.00 18.33 H new ATOM 0 HA THR A 9 10.207 9.447 7.283 1.00 19.24 H new ATOM 0 HB THR A 9 10.823 11.443 5.944 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.545 11.047 3.811 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.073 10.340 5.420 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.435 9.820 6.997 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.291 8.750 5.582 1.00 19.70 H new ATOM 161 N GLY A 10 8.067 10.987 5.198 1.00 19.43 N ATOM 162 CA GLY A 10 7.100 12.038 5.133 1.00 18.74 C ATOM 163 C GLY A 10 6.516 12.391 3.808 1.00 17.62 C ATOM 164 O GLY A 10 6.461 13.563 3.438 1.00 19.74 O ATOM 0 H GLY A 10 8.346 10.665 4.271 1.00 19.43 H new ATOM 0 HA2 GLY A 10 6.277 11.772 5.797 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.561 12.937 5.541 1.00 18.74 H new ATOM 168 N LYS A 11 6.035 11.472 2.951 1.00 13.56 N ATOM 169 CA LYS A 11 5.080 11.677 1.907 1.00 11.91 C ATOM 170 C LYS A 11 3.796 11.000 2.241 1.00 10.18 C ATOM 171 O LYS A 11 3.756 9.980 2.928 1.00 9.10 O ATOM 172 CB LYS A 11 5.709 11.275 0.563 1.00 13.43 C ATOM 173 CG LYS A 11 4.731 10.984 -0.578 1.00 16.69 C ATOM 174 CD LYS A 11 5.511 10.833 -1.886 1.00 17.92 C ATOM 175 CE LYS A 11 6.334 12.072 -2.243 1.00 20.81 C ATOM 176 NZ LYS A 11 6.490 11.969 -3.711 1.00 21.93 N ATOM 0 H LYS A 11 6.343 10.501 2.995 1.00 13.56 H new ATOM 0 HA LYS A 11 4.816 12.730 1.809 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.379 12.074 0.245 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.323 10.389 0.723 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.170 10.073 -0.368 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.005 11.792 -0.665 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.176 9.973 -1.808 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.812 10.623 -2.696 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.822 12.991 -1.957 1.00 20.81 H new ATOM 0 HE3 LYS A 11 7.299 12.074 -1.736 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.528 12.923 -4.124 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 7.370 11.461 -3.932 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.682 11.451 -4.110 1.00 21.93 H new ATOM 190 N THR A 12 2.662 11.447 1.672 1.00 9.63 N ATOM 191 CA THR A 12 1.428 10.752 1.874 1.00 9.85 C ATOM 192 C THR A 12 0.911 10.570 0.489 1.00 11.66 C ATOM 193 O THR A 12 0.885 11.488 -0.329 1.00 12.33 O ATOM 194 CB THR A 12 0.420 11.490 2.704 1.00 10.85 C ATOM 195 OG1 THR A 12 0.946 11.658 4.012 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.976 10.848 2.762 1.00 9.63 C ATOM 0 H THR A 12 2.598 12.276 1.081 1.00 9.63 H new ATOM 0 HA THR A 12 1.597 9.831 2.431 1.00 9.85 H new ATOM 0 HB THR A 12 0.257 12.449 2.212 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.298 12.141 4.566 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.631 11.457 3.386 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.390 10.785 1.755 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.899 9.847 3.186 1.00 9.63 H new ATOM 204 N ILE A 13 0.422 9.344 0.233 1.00 10.42 N ATOM 205 CA ILE A 13 -0.106 9.010 -1.054 1.00 11.84 C ATOM 206 C ILE A 13 -1.523 8.576 -0.899 1.00 10.55 C ATOM 207 O ILE A 13 -1.790 7.472 -0.428 1.00 11.92 O ATOM 208 CB ILE A 13 0.721 7.986 -1.774 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.238 8.209 -1.647 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.178 7.863 -3.207 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.047 7.140 -2.380 1.00 16.46 C ATOM 0 H ILE A 13 0.392 8.586 0.914 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.069 9.899 -1.683 1.00 11.84 H new ATOM 0 HB ILE A 13 0.615 7.014 -1.293 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.493 9.191 -2.046 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.515 8.211 -0.593 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.762 7.124 -3.755 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.866 7.550 -3.175 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.252 8.828 -3.708 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.111 7.343 -2.260 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.815 6.159 -1.964 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.793 7.154 -3.440 1.00 16.46 H new ATOM 223 N THR A 14 -2.473 9.367 -1.428 1.00 9.39 N ATOM 224 CA THR A 14 -3.872 9.091 -1.318 1.00 9.63 C ATOM 225 C THR A 14 -4.346 8.222 -2.432 1.00 11.20 C ATOM 226 O THR A 14 -4.350 8.605 -3.601 1.00 11.63 O ATOM 227 CB THR A 14 -4.685 10.351 -1.357 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.264 11.230 -0.324 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.171 10.051 -1.097 1.00 11.66 C ATOM 0 H THR A 14 -2.263 10.221 -1.946 1.00 9.39 H new ATOM 0 HA THR A 14 -4.005 8.585 -0.362 1.00 9.63 H new ATOM 0 HB THR A 14 -4.549 10.796 -2.343 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.797 12.051 -0.356 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.741 10.980 -1.130 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.544 9.369 -1.861 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.283 9.591 -0.115 1.00 11.66 H new ATOM 237 N LEU A 15 -4.629 6.949 -2.106 1.00 8.29 N ATOM 238 CA LEU A 15 -4.956 5.955 -3.081 1.00 9.03 C ATOM 239 C LEU A 15 -6.339 5.406 -3.158 1.00 8.59 C ATOM 240 O LEU A 15 -6.938 4.882 -2.220 1.00 7.79 O ATOM 241 CB LEU A 15 -3.984 4.763 -3.070 1.00 11.08 C ATOM 242 CG LEU A 15 -2.521 5.140 -3.360 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.653 3.876 -3.236 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.483 5.770 -4.762 1.00 15.88 C ATOM 0 H LEU A 15 -4.631 6.603 -1.147 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.862 6.580 -3.969 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.036 4.275 -2.097 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.313 4.033 -3.810 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.122 5.865 -2.651 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.612 4.128 -3.439 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.739 3.473 -2.227 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.992 3.130 -3.954 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.459 6.052 -5.006 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.845 5.049 -5.495 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.118 6.656 -4.780 1.00 15.88 H new ATOM 256 N GLU A 16 -7.066 5.702 -4.250 1.00 11.04 N ATOM 257 CA GLU A 16 -8.435 5.315 -4.396 1.00 11.50 C ATOM 258 C GLU A 16 -8.567 3.918 -4.897 1.00 10.13 C ATOM 259 O GLU A 16 -7.993 3.484 -5.895 1.00 9.83 O ATOM 260 CB GLU A 16 -9.231 6.195 -5.374 1.00 17.22 C ATOM 261 CG GLU A 16 -10.738 5.939 -5.424 1.00 23.33 C ATOM 262 CD GLU A 16 -11.486 6.954 -6.275 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.870 7.345 -7.302 1.00 28.86 O ATOM 264 OE2 GLU A 16 -12.546 7.509 -5.878 1.00 28.90 O ATOM 0 H GLU A 16 -6.696 6.220 -5.047 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.841 5.424 -3.390 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.068 7.240 -5.109 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.824 6.053 -6.375 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.918 4.939 -5.819 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.138 5.958 -4.410 1.00 23.33 H new ATOM 271 N VAL A 17 -9.187 3.063 -4.064 1.00 8.99 N ATOM 272 CA VAL A 17 -9.203 1.639 -4.194 1.00 8.85 C ATOM 273 C VAL A 17 -10.580 1.134 -3.931 1.00 8.04 C ATOM 274 O VAL A 17 -11.484 1.919 -3.651 1.00 8.99 O ATOM 275 CB VAL A 17 -8.203 0.931 -3.329 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.788 1.465 -3.610 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.423 1.165 -1.825 1.00 10.54 C ATOM 0 H VAL A 17 -9.709 3.387 -3.250 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.904 1.415 -5.218 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.323 -0.126 -3.567 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.070 0.944 -2.977 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.537 1.297 -4.657 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.753 2.533 -3.396 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.665 0.624 -1.258 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.347 2.230 -1.608 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.413 0.806 -1.542 1.00 10.54 H new ATOM 287 N GLU A 18 -10.875 -0.175 -4.032 1.00 7.29 N ATOM 288 CA GLU A 18 -12.063 -0.820 -3.565 1.00 7.08 C ATOM 289 C GLU A 18 -11.719 -1.823 -2.518 1.00 6.45 C ATOM 290 O GLU A 18 -10.583 -2.290 -2.578 1.00 5.28 O ATOM 291 CB GLU A 18 -12.811 -1.551 -4.692 1.00 10.28 C ATOM 292 CG GLU A 18 -12.267 -2.870 -5.243 1.00 12.65 C ATOM 293 CD GLU A 18 -13.084 -3.206 -6.482 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.384 -2.331 -7.339 1.00 18.17 O ATOM 295 OE2 GLU A 18 -13.537 -4.380 -6.549 1.00 14.33 O ATOM 0 H GLU A 18 -10.232 -0.832 -4.475 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.708 -0.038 -3.165 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -13.824 -1.741 -4.338 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.891 -0.858 -5.530 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.210 -2.777 -5.492 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.351 -3.662 -4.499 1.00 12.65 H new ATOM 302 N PRO A 19 -12.554 -2.306 -1.647 1.00 7.24 N ATOM 303 CA PRO A 19 -12.190 -3.043 -0.471 1.00 7.07 C ATOM 304 C PRO A 19 -11.880 -4.456 -0.828 1.00 6.65 C ATOM 305 O PRO A 19 -11.413 -5.233 0.004 1.00 6.37 O ATOM 306 CB PRO A 19 -13.428 -2.946 0.417 1.00 7.61 C ATOM 307 CG PRO A 19 -14.583 -2.674 -0.559 1.00 8.16 C ATOM 308 CD PRO A 19 -13.859 -1.684 -1.484 1.00 7.49 C ATOM 0 HA PRO A 19 -11.300 -2.657 0.025 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.589 -3.868 0.975 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.330 -2.144 1.149 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.920 -3.571 -1.078 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.456 -2.240 -0.073 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.375 -1.567 -2.437 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.784 -0.692 -1.038 1.00 7.49 H new ATOM 316 N SER A 20 -12.094 -4.902 -2.078 1.00 6.80 N ATOM 317 CA SER A 20 -11.747 -6.167 -2.648 1.00 6.28 C ATOM 318 C SER A 20 -10.387 -6.235 -3.253 1.00 8.45 C ATOM 319 O SER A 20 -9.971 -7.321 -3.653 1.00 7.26 O ATOM 320 CB SER A 20 -12.744 -6.606 -3.733 1.00 8.57 C ATOM 321 OG SER A 20 -14.101 -6.637 -3.315 1.00 11.13 O ATOM 0 H SER A 20 -12.562 -4.308 -2.763 1.00 6.80 H new ATOM 0 HA SER A 20 -11.773 -6.835 -1.787 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.655 -5.930 -4.583 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.464 -7.599 -4.085 1.00 8.57 H new ATOM 0 HG SER A 20 -14.667 -6.924 -4.062 1.00 11.13 H new ATOM 327 N ASP A 21 -9.667 -5.103 -3.353 1.00 7.50 N ATOM 328 CA ASP A 21 -8.402 -5.106 -4.020 1.00 7.70 C ATOM 329 C ASP A 21 -7.354 -5.852 -3.267 1.00 7.08 C ATOM 330 O ASP A 21 -7.589 -6.214 -2.116 1.00 8.11 O ATOM 331 CB ASP A 21 -7.939 -3.685 -4.383 1.00 11.00 C ATOM 332 CG ASP A 21 -8.749 -3.069 -5.514 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.992 -3.804 -6.509 1.00 18.03 O ATOM 334 OD2 ASP A 21 -9.129 -1.869 -5.463 1.00 14.36 O ATOM 0 H ASP A 21 -9.955 -4.199 -2.978 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.554 -5.647 -4.954 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.013 -3.048 -3.501 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.888 -3.713 -4.669 1.00 11.00 H new ATOM 339 N THR A 22 -6.173 -6.124 -3.851 1.00 5.37 N ATOM 340 CA THR A 22 -5.067 -6.833 -3.286 1.00 6.01 C ATOM 341 C THR A 22 -3.971 -5.868 -2.991 1.00 8.01 C ATOM 342 O THR A 22 -3.937 -4.799 -3.599 1.00 8.11 O ATOM 343 CB THR A 22 -4.562 -7.951 -4.149 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.479 -7.545 -5.507 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.687 -8.999 -4.175 1.00 9.65 C ATOM 0 H THR A 22 -5.977 -5.819 -4.804 1.00 5.37 H new ATOM 0 HA THR A 22 -5.422 -7.305 -2.370 1.00 6.01 H new ATOM 0 HB THR A 22 -3.597 -8.285 -3.769 1.00 8.92 H new ATOM 0 HG1 THR A 22 -4.146 -8.289 -6.051 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.382 -9.845 -4.791 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.888 -9.342 -3.160 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.590 -8.553 -4.593 1.00 9.65 H new ATOM 353 N ILE A 23 -2.960 -6.239 -2.186 1.00 8.32 N ATOM 354 CA ILE A 23 -1.778 -5.486 -1.903 1.00 9.92 C ATOM 355 C ILE A 23 -1.035 -5.111 -3.139 1.00 10.01 C ATOM 356 O ILE A 23 -0.697 -3.943 -3.324 1.00 8.71 O ATOM 357 CB ILE A 23 -0.892 -6.185 -0.914 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.626 -6.660 0.352 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.265 -5.282 -0.455 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.543 -5.660 1.056 1.00 12.30 C ATOM 0 H ILE A 23 -2.971 -7.134 -1.696 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.107 -4.556 -1.440 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.523 -7.056 -1.455 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.222 -7.533 0.087 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -0.876 -6.992 1.070 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.886 -5.821 0.261 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.869 -4.998 -1.317 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.138 -4.386 0.017 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.992 -6.131 1.930 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.963 -4.792 1.370 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.329 -5.342 0.371 1.00 12.30 H new ATOM 372 N GLU A 24 -0.839 -6.091 -4.039 1.00 9.54 N ATOM 373 CA GLU A 24 -0.208 -6.003 -5.319 1.00 11.81 C ATOM 374 C GLU A 24 -0.855 -5.081 -6.295 1.00 11.14 C ATOM 375 O GLU A 24 -0.126 -4.369 -6.984 1.00 10.62 O ATOM 376 CB GLU A 24 -0.069 -7.367 -6.016 1.00 19.24 C ATOM 377 CG GLU A 24 0.595 -7.536 -7.383 1.00 27.76 C ATOM 378 CD GLU A 24 0.495 -8.991 -7.820 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.643 -9.454 -8.099 1.00 34.80 O ATOM 380 OE2 GLU A 24 1.527 -9.713 -7.853 1.00 36.51 O ATOM 0 H GLU A 24 -1.156 -7.041 -3.848 1.00 9.54 H new ATOM 0 HA GLU A 24 0.767 -5.593 -5.055 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.473 -8.014 -5.326 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.077 -7.772 -6.108 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.111 -6.891 -8.116 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.640 -7.232 -7.331 1.00 27.76 H new ATOM 387 N ASN A 25 -2.184 -4.873 -6.328 1.00 9.43 N ATOM 388 CA ASN A 25 -2.836 -3.769 -6.963 1.00 10.96 C ATOM 389 C ASN A 25 -2.585 -2.437 -6.344 1.00 9.68 C ATOM 390 O ASN A 25 -2.295 -1.450 -7.018 1.00 9.33 O ATOM 391 CB ASN A 25 -4.340 -4.081 -7.045 1.00 16.78 C ATOM 392 CG ASN A 25 -5.085 -3.271 -8.096 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.501 -2.137 -7.865 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.315 -3.881 -9.290 1.00 24.70 N ATOM 0 H ASN A 25 -2.842 -5.514 -5.885 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.400 -3.670 -7.957 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.469 -5.142 -7.260 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.792 -3.896 -6.071 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.843 -3.397 -10.017 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.960 -4.822 -9.459 1.00 24.70 H new ATOM 401 N VAL A 26 -2.611 -2.313 -5.005 1.00 6.52 N ATOM 402 CA VAL A 26 -2.255 -1.079 -4.377 1.00 5.53 C ATOM 403 C VAL A 26 -0.821 -0.722 -4.566 1.00 4.42 C ATOM 404 O VAL A 26 -0.555 0.477 -4.636 1.00 3.40 O ATOM 405 CB VAL A 26 -2.688 -1.148 -2.942 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.452 0.173 -2.191 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.203 -1.401 -3.011 1.00 8.12 C ATOM 0 H VAL A 26 -2.876 -3.060 -4.362 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.779 -0.253 -4.858 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.125 -1.915 -2.411 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.783 0.068 -1.158 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.390 0.417 -2.209 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.016 0.971 -2.673 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.607 -1.466 -2.001 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.685 -0.581 -3.543 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.392 -2.336 -3.539 1.00 8.12 H new ATOM 417 N LYS A 27 0.140 -1.651 -4.719 1.00 2.64 N ATOM 418 CA LYS A 27 1.528 -1.444 -4.995 1.00 4.14 C ATOM 419 C LYS A 27 1.719 -1.004 -6.406 1.00 5.58 C ATOM 420 O LYS A 27 2.534 -0.099 -6.574 1.00 4.11 O ATOM 421 CB LYS A 27 2.378 -2.671 -4.626 1.00 3.97 C ATOM 422 CG LYS A 27 2.479 -2.918 -3.119 1.00 7.45 C ATOM 423 CD LYS A 27 3.497 -3.940 -2.607 1.00 9.02 C ATOM 424 CE LYS A 27 3.432 -5.344 -3.211 1.00 12.90 C ATOM 425 NZ LYS A 27 4.728 -5.985 -2.892 1.00 15.47 N ATOM 0 H LYS A 27 -0.079 -2.644 -4.641 1.00 2.64 H new ATOM 0 HA LYS A 27 1.888 -0.638 -4.356 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.952 -3.554 -5.102 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.381 -2.543 -5.032 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.701 -1.963 -2.642 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.495 -3.228 -2.768 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.496 -3.541 -2.783 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.375 -4.029 -1.528 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.602 -5.912 -2.791 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.274 -5.298 -4.288 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.307 -6.045 -3.754 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.229 -5.419 -2.177 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.560 -6.942 -2.520 1.00 15.47 H new ATOM 439 N ALA A 28 0.912 -1.484 -7.369 1.00 6.61 N ATOM 440 CA ALA A 28 0.777 -1.048 -8.725 1.00 7.74 C ATOM 441 C ALA A 28 0.358 0.370 -8.911 1.00 9.17 C ATOM 442 O ALA A 28 0.854 1.007 -9.839 1.00 11.45 O ATOM 443 CB ALA A 28 -0.217 -1.935 -9.493 1.00 7.68 C ATOM 0 H ALA A 28 0.286 -2.265 -7.172 1.00 6.61 H new ATOM 0 HA ALA A 28 1.790 -1.133 -9.118 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.301 -1.582 -10.521 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.138 -2.965 -9.491 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.194 -1.887 -9.012 1.00 7.68 H new ATOM 449 N LYS A 29 -0.498 0.970 -8.065 1.00 8.96 N ATOM 450 CA LYS A 29 -0.749 2.366 -7.880 1.00 7.90 C ATOM 451 C LYS A 29 0.413 3.220 -7.505 1.00 6.92 C ATOM 452 O LYS A 29 0.709 4.261 -8.089 1.00 6.87 O ATOM 453 CB LYS A 29 -2.002 2.552 -7.007 1.00 10.28 C ATOM 454 CG LYS A 29 -3.207 2.518 -7.949 1.00 14.94 C ATOM 455 CD LYS A 29 -4.546 2.443 -7.212 1.00 19.69 C ATOM 456 CE LYS A 29 -5.704 2.186 -8.179 1.00 22.63 C ATOM 457 NZ LYS A 29 -7.009 1.881 -7.550 1.00 24.98 N ATOM 0 H LYS A 29 -1.079 0.410 -7.441 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.951 2.771 -8.871 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.073 1.762 -6.260 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.960 3.498 -6.467 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.195 3.409 -8.577 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.117 1.659 -8.613 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.509 1.648 -6.467 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.719 3.375 -6.674 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.824 3.063 -8.815 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.432 1.355 -8.830 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.769 2.007 -8.249 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -7.010 0.898 -7.211 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -7.166 2.524 -6.748 1.00 24.98 H new ATOM 471 N ILE A 30 1.167 2.855 -6.453 1.00 4.57 N ATOM 472 CA ILE A 30 2.377 3.500 -6.046 1.00 5.58 C ATOM 473 C ILE A 30 3.442 3.471 -7.087 1.00 7.26 C ATOM 474 O ILE A 30 4.217 4.417 -7.220 1.00 9.46 O ATOM 475 CB ILE A 30 3.013 2.826 -4.866 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.066 2.829 -3.655 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.286 3.571 -4.429 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.426 1.798 -2.586 1.00 2.00 C ATOM 0 H ILE A 30 0.919 2.067 -5.854 1.00 4.57 H new ATOM 0 HA ILE A 30 2.053 4.518 -5.828 1.00 5.58 H new ATOM 0 HB ILE A 30 3.244 1.807 -5.177 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.071 3.822 -3.205 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.050 2.640 -4.000 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.729 3.063 -3.572 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.001 3.584 -5.252 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.032 4.594 -4.153 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.713 1.861 -1.764 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.393 0.798 -3.019 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.430 1.998 -2.211 1.00 2.00 H new ATOM 490 N GLN A 31 3.540 2.310 -7.759 1.00 7.06 N ATOM 491 CA GLN A 31 4.338 2.127 -8.932 1.00 8.67 C ATOM 492 C GLN A 31 4.076 3.178 -9.955 1.00 10.90 C ATOM 493 O GLN A 31 4.934 3.766 -10.611 1.00 9.63 O ATOM 494 CB GLN A 31 4.279 0.679 -9.446 1.00 9.12 C ATOM 495 CG GLN A 31 5.192 0.470 -10.656 1.00 10.76 C ATOM 496 CD GLN A 31 5.327 -0.944 -11.203 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.444 -1.429 -11.376 1.00 14.48 O ATOM 498 NE2 GLN A 31 4.177 -1.650 -11.374 1.00 14.76 N ATOM 0 H GLN A 31 3.044 1.465 -7.474 1.00 7.06 H new ATOM 0 HA GLN A 31 5.383 2.274 -8.660 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.572 -0.003 -8.647 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.253 0.431 -9.717 1.00 9.12 H new ATOM 0 HG2 GLN A 31 4.832 1.109 -11.462 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.188 0.823 -10.390 1.00 10.76 H new ATOM 0 HE21 GLN A 31 3.275 -1.201 -11.218 1.00 14.76 H new ATOM 0 HE22 GLN A 31 4.217 -2.629 -11.659 1.00 14.76 H new ATOM 507 N ASP A 32 2.796 3.442 -10.273 1.00 10.93 N ATOM 508 CA ASP A 32 2.518 4.425 -11.273 1.00 14.01 C ATOM 509 C ASP A 32 2.900 5.831 -10.962 1.00 14.04 C ATOM 510 O ASP A 32 3.562 6.570 -11.690 1.00 13.39 O ATOM 511 CB ASP A 32 1.006 4.380 -11.551 1.00 18.01 C ATOM 512 CG ASP A 32 0.656 4.526 -13.025 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.775 3.568 -13.835 1.00 26.29 O ATOM 514 OD2 ASP A 32 0.313 5.688 -13.373 1.00 25.17 O ATOM 0 H ASP A 32 1.980 2.994 -9.856 1.00 10.93 H new ATOM 0 HA ASP A 32 3.142 4.159 -12.126 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.605 3.436 -11.182 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.517 5.176 -10.989 1.00 18.01 H new ATOM 519 N LYS A 33 2.514 6.198 -9.727 1.00 14.22 N ATOM 520 CA LYS A 33 2.749 7.473 -9.124 1.00 14.00 C ATOM 521 C LYS A 33 4.184 7.815 -8.916 1.00 12.37 C ATOM 522 O LYS A 33 4.745 8.611 -9.667 1.00 12.17 O ATOM 523 CB LYS A 33 1.914 7.729 -7.858 1.00 18.62 C ATOM 524 CG LYS A 33 0.504 8.165 -8.260 1.00 24.00 C ATOM 525 CD LYS A 33 -0.348 8.499 -7.034 1.00 27.61 C ATOM 526 CE LYS A 33 -1.859 8.572 -7.261 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.046 9.792 -8.078 1.00 30.06 N ATOM 0 H LYS A 33 2.006 5.563 -9.111 1.00 14.22 H new ATOM 0 HA LYS A 33 2.390 8.168 -9.883 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.868 6.825 -7.250 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.385 8.500 -7.248 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.563 9.036 -8.912 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.025 7.370 -8.832 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.153 7.750 -6.267 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.015 9.457 -6.636 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.227 7.686 -7.779 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.401 8.638 -6.317 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.884 10.309 -7.743 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.206 10.400 -7.992 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.179 9.525 -9.074 1.00 30.06 H new ATOM 541 N GLU A 34 4.789 7.322 -7.820 1.00 10.11 N ATOM 542 CA GLU A 34 6.162 7.472 -7.450 1.00 10.07 C ATOM 543 C GLU A 34 7.116 6.937 -8.462 1.00 9.32 C ATOM 544 O GLU A 34 7.895 7.685 -9.051 1.00 11.61 O ATOM 545 CB GLU A 34 6.396 6.899 -6.042 1.00 14.77 C ATOM 546 CG GLU A 34 5.734 7.594 -4.852 1.00 18.75 C ATOM 547 CD GLU A 34 6.089 9.073 -4.795 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.300 9.347 -4.583 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.183 9.908 -5.058 1.00 25.19 O ATOM 0 H GLU A 34 4.271 6.771 -7.135 1.00 10.11 H new ATOM 0 HA GLU A 34 6.376 8.540 -7.421 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.063 5.861 -6.047 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.471 6.888 -5.863 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.652 7.482 -4.921 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.046 7.109 -3.927 1.00 18.75 H new ATOM 556 N GLY A 35 7.103 5.613 -8.702 1.00 7.22 N ATOM 557 CA GLY A 35 8.050 4.893 -9.495 1.00 6.29 C ATOM 558 C GLY A 35 8.764 3.925 -8.615 1.00 6.93 C ATOM 559 O GLY A 35 9.985 3.953 -8.469 1.00 7.41 O ATOM 0 H GLY A 35 6.381 5.006 -8.315 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.544 4.367 -10.305 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.759 5.581 -9.956 1.00 6.29 H new ATOM 563 N ILE A 36 8.021 2.969 -8.029 1.00 5.86 N ATOM 564 CA ILE A 36 8.541 1.923 -7.204 1.00 6.07 C ATOM 565 C ILE A 36 8.107 0.558 -7.615 1.00 6.36 C ATOM 566 O ILE A 36 6.893 0.372 -7.552 1.00 6.18 O ATOM 567 CB ILE A 36 8.153 2.157 -5.774 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.425 3.566 -5.221 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.957 1.198 -4.879 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.825 3.775 -3.832 1.00 9.49 C ATOM 0 H ILE A 36 7.008 2.924 -8.136 1.00 5.86 H new ATOM 0 HA ILE A 36 9.624 1.957 -7.323 1.00 6.07 H new ATOM 0 HB ILE A 36 7.074 2.003 -5.761 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.501 3.734 -5.178 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.014 4.307 -5.906 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.684 1.358 -3.836 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.735 0.168 -5.158 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.023 1.387 -5.008 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.046 4.786 -3.488 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.745 3.635 -3.877 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.255 3.053 -3.137 1.00 9.49 H new ATOM 582 N PRO A 37 8.898 -0.365 -8.074 1.00 8.65 N ATOM 583 CA PRO A 37 8.358 -1.592 -8.583 1.00 9.18 C ATOM 584 C PRO A 37 7.856 -2.511 -7.524 1.00 9.85 C ATOM 585 O PRO A 37 8.380 -2.494 -6.411 1.00 8.51 O ATOM 586 CB PRO A 37 9.558 -2.236 -9.275 1.00 11.42 C ATOM 587 CG PRO A 37 10.645 -1.164 -9.453 1.00 9.27 C ATOM 588 CD PRO A 37 10.230 -0.004 -8.535 1.00 8.33 C ATOM 0 HA PRO A 37 7.497 -1.401 -9.223 1.00 9.18 H new ATOM 0 HB2 PRO A 37 9.938 -3.067 -8.681 1.00 11.42 H new ATOM 0 HB3 PRO A 37 9.265 -2.644 -10.242 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.626 -1.551 -9.178 1.00 9.27 H new ATOM 0 HG3 PRO A 37 10.710 -0.839 -10.491 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.922 0.109 -7.700 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.221 0.944 -9.072 1.00 8.33 H new ATOM 596 N PRO A 38 6.898 -3.385 -7.618 1.00 8.71 N ATOM 597 CA PRO A 38 6.204 -4.093 -6.582 1.00 9.08 C ATOM 598 C PRO A 38 7.019 -4.931 -5.658 1.00 9.28 C ATOM 599 O PRO A 38 6.739 -5.057 -4.467 1.00 6.50 O ATOM 600 CB PRO A 38 5.118 -4.978 -7.190 1.00 10.31 C ATOM 601 CG PRO A 38 4.761 -4.147 -8.433 1.00 10.81 C ATOM 602 CD PRO A 38 6.014 -3.323 -8.771 1.00 12.00 C ATOM 0 HA PRO A 38 5.807 -3.289 -5.961 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.485 -5.972 -7.445 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.268 -5.114 -6.521 1.00 10.31 H new ATOM 0 HG2 PRO A 38 4.483 -4.792 -9.266 1.00 10.81 H new ATOM 0 HG3 PRO A 38 3.909 -3.497 -8.235 1.00 10.81 H new ATOM 0 HD2 PRO A 38 6.509 -3.722 -9.656 1.00 12.00 H new ATOM 0 HD3 PRO A 38 5.746 -2.290 -8.994 1.00 12.00 H new ATOM 610 N ASP A 39 8.087 -5.551 -6.191 1.00 11.20 N ATOM 611 CA ASP A 39 8.939 -6.455 -5.482 1.00 14.96 C ATOM 612 C ASP A 39 9.828 -5.725 -4.535 1.00 13.99 C ATOM 613 O ASP A 39 10.176 -6.286 -3.498 1.00 13.75 O ATOM 614 CB ASP A 39 9.611 -7.513 -6.372 1.00 24.16 C ATOM 615 CG ASP A 39 8.546 -8.224 -7.194 1.00 31.06 C ATOM 616 OD1 ASP A 39 7.584 -8.790 -6.610 1.00 34.22 O ATOM 617 OD2 ASP A 39 8.563 -8.107 -8.449 1.00 35.55 O ATOM 0 H ASP A 39 8.370 -5.416 -7.162 1.00 11.20 H new ATOM 0 HA ASP A 39 8.308 -7.080 -4.850 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.341 -7.042 -7.030 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.153 -8.232 -5.757 1.00 24.16 H new ATOM 622 N GLN A 40 10.027 -4.422 -4.805 1.00 11.60 N ATOM 623 CA GLN A 40 10.798 -3.525 -4.002 1.00 10.76 C ATOM 624 C GLN A 40 10.091 -3.038 -2.784 1.00 8.01 C ATOM 625 O GLN A 40 10.588 -2.759 -1.694 1.00 8.96 O ATOM 626 CB GLN A 40 11.303 -2.379 -4.895 1.00 11.14 C ATOM 627 CG GLN A 40 12.467 -1.573 -4.316 1.00 14.85 C ATOM 628 CD GLN A 40 13.653 -2.485 -4.040 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.966 -2.765 -2.883 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.433 -2.908 -5.071 1.00 18.16 N ATOM 0 H GLN A 40 9.628 -3.971 -5.628 1.00 11.60 H new ATOM 0 HA GLN A 40 11.648 -4.076 -3.599 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.610 -2.795 -5.855 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.474 -1.700 -5.093 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.758 -0.788 -5.014 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.155 -1.081 -3.395 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.177 -2.678 -6.031 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.273 -3.455 -4.884 1.00 18.16 H new ATOM 639 N GLN A 41 8.756 -2.882 -2.815 1.00 6.52 N ATOM 640 CA GLN A 41 7.891 -2.354 -1.805 1.00 3.87 C ATOM 641 C GLN A 41 7.045 -3.425 -1.206 1.00 4.79 C ATOM 642 O GLN A 41 6.493 -4.287 -1.887 1.00 6.34 O ATOM 643 CB GLN A 41 7.057 -1.163 -2.306 1.00 4.20 C ATOM 644 CG GLN A 41 6.426 -1.422 -3.676 1.00 3.20 C ATOM 645 CD GLN A 41 5.471 -0.291 -4.032 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.835 0.166 -3.084 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.483 0.123 -5.327 1.00 7.13 N ATOM 0 H GLN A 41 8.226 -3.158 -3.642 1.00 6.52 H new ATOM 0 HA GLN A 41 8.527 -1.960 -1.012 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.271 -0.945 -1.583 1.00 4.20 H new ATOM 0 HB3 GLN A 41 7.691 -0.278 -2.363 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.205 -1.504 -4.434 1.00 3.20 H new ATOM 0 HG3 GLN A 41 5.890 -2.371 -3.665 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.067 -0.358 -6.011 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.908 0.915 -5.615 1.00 7.13 H new ATOM 656 N ARG A 42 6.843 -3.372 0.122 1.00 5.73 N ATOM 657 CA ARG A 42 5.803 -4.105 0.774 1.00 6.97 C ATOM 658 C ARG A 42 4.987 -3.091 1.499 1.00 7.15 C ATOM 659 O ARG A 42 5.473 -1.980 1.707 1.00 7.33 O ATOM 660 CB ARG A 42 6.422 -5.178 1.686 1.00 13.23 C ATOM 661 CG ARG A 42 7.049 -6.251 0.794 1.00 21.27 C ATOM 662 CD ARG A 42 7.648 -7.463 1.511 1.00 26.14 C ATOM 663 NE ARG A 42 7.879 -8.509 0.475 1.00 32.26 N ATOM 664 CZ ARG A 42 8.108 -9.844 0.651 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.478 -10.401 1.841 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.148 -10.644 -0.454 1.00 36.39 N ATOM 0 H ARG A 42 7.412 -2.810 0.755 1.00 5.73 H new ATOM 0 HA ARG A 42 5.160 -4.653 0.085 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.176 -4.736 2.338 1.00 13.23 H new ATOM 0 HB3 ARG A 42 5.660 -5.616 2.331 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.288 -6.606 0.099 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.833 -5.785 0.197 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.582 -7.196 2.005 1.00 26.14 H new ATOM 0 HD3 ARG A 42 6.971 -7.828 2.284 1.00 26.14 H new ATOM 0 HE ARG A 42 7.864 -8.186 -0.492 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.598 -9.811 2.665 1.00 35.30 H new ATOM 0 HH12 ARG A 42 8.634 -11.407 1.907 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.009 -10.241 -1.381 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.317 -11.645 -0.353 1.00 36.39 H new ATOM 680 N LEU A 43 3.850 -3.565 2.038 1.00 4.65 N ATOM 681 CA LEU A 43 2.878 -2.779 2.732 1.00 3.51 C ATOM 682 C LEU A 43 2.708 -3.371 4.088 1.00 5.56 C ATOM 683 O LEU A 43 2.640 -4.587 4.265 1.00 4.19 O ATOM 684 CB LEU A 43 1.476 -2.561 2.137 1.00 3.74 C ATOM 685 CG LEU A 43 1.449 -1.964 0.720 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.084 -1.539 0.153 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.401 -0.762 0.611 1.00 9.55 C ATOM 0 H LEU A 43 3.595 -4.551 1.986 1.00 4.65 H new ATOM 0 HA LEU A 43 3.307 -1.778 2.684 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.954 -3.518 2.120 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.916 -1.903 2.801 1.00 3.74 H new ATOM 0 HG LEU A 43 1.766 -2.811 0.111 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.217 -1.137 -0.851 1.00 6.41 H new ATOM 0 HD12 LEU A 43 -0.579 -2.404 0.113 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.355 -0.775 0.795 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.363 -0.358 -0.401 1.00 9.55 H new ATOM 0 HD22 LEU A 43 2.098 0.008 1.320 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.418 -1.082 0.836 1.00 9.55 H new ATOM 699 N ILE A 44 2.508 -2.520 5.110 1.00 4.58 N ATOM 700 CA ILE A 44 2.332 -2.882 6.482 1.00 5.55 C ATOM 701 C ILE A 44 1.110 -2.170 6.951 1.00 5.46 C ATOM 702 O ILE A 44 0.820 -1.014 6.649 1.00 6.04 O ATOM 703 CB ILE A 44 3.509 -2.373 7.259 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.760 -3.227 6.995 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.142 -2.400 8.753 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.029 -2.915 7.788 1.00 13.90 C ATOM 0 H ILE A 44 2.467 -1.511 4.967 1.00 4.58 H new ATOM 0 HA ILE A 44 2.243 -3.961 6.610 1.00 5.55 H new ATOM 0 HB ILE A 44 3.743 -1.356 6.946 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.498 -4.268 7.183 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.001 -3.145 5.935 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.983 -2.034 9.341 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.274 -1.764 8.926 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.908 -3.422 9.052 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.822 -3.601 7.490 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.341 -1.890 7.587 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.830 -3.031 8.853 1.00 13.90 H new ATOM 718 N PHE A 45 0.263 -2.855 7.741 1.00 6.75 N ATOM 719 CA PHE A 45 -0.851 -2.264 8.416 1.00 4.70 C ATOM 720 C PHE A 45 -0.591 -2.340 9.881 1.00 6.34 C ATOM 721 O PHE A 45 -0.753 -3.399 10.485 1.00 5.45 O ATOM 722 CB PHE A 45 -2.148 -2.883 7.868 1.00 5.51 C ATOM 723 CG PHE A 45 -3.353 -2.179 8.389 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.704 -0.884 8.087 1.00 5.87 C ATOM 725 CD2 PHE A 45 -4.374 -2.939 8.909 1.00 6.86 C ATOM 726 CE1 PHE A 45 -4.893 -0.289 8.436 1.00 6.64 C ATOM 727 CE2 PHE A 45 -5.612 -2.403 9.178 1.00 6.68 C ATOM 728 CZ PHE A 45 -5.915 -1.096 8.877 1.00 6.84 C ATOM 0 H PHE A 45 0.357 -3.855 7.916 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.986 -1.199 8.225 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.142 -2.838 6.779 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.194 -3.937 8.143 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.992 -0.290 7.534 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -4.199 -3.985 9.112 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -5.021 0.781 8.366 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -6.366 -3.025 9.638 1.00 6.68 H new ATOM 0 HZ PHE A 45 -6.921 -0.717 8.983 1.00 6.84 H new ATOM 738 N ALA A 46 -0.177 -1.202 10.466 1.00 6.53 N ATOM 739 CA ALA A 46 0.395 -1.106 11.773 1.00 7.15 C ATOM 740 C ALA A 46 1.632 -1.905 11.998 1.00 9.00 C ATOM 741 O ALA A 46 2.705 -1.381 11.702 1.00 11.15 O ATOM 742 CB ALA A 46 -0.706 -1.221 12.842 1.00 8.99 C ATOM 0 H ALA A 46 -0.246 -0.297 10.000 1.00 6.53 H new ATOM 0 HA ALA A 46 0.816 -0.105 11.874 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.260 -1.147 13.834 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.429 -0.416 12.708 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.211 -2.182 12.743 1.00 8.99 H new ATOM 748 N GLY A 47 1.574 -3.105 12.603 1.00 9.35 N ATOM 749 CA GLY A 47 2.723 -3.934 12.798 1.00 11.68 C ATOM 750 C GLY A 47 2.605 -5.145 11.938 1.00 11.14 C ATOM 751 O GLY A 47 3.534 -5.949 11.888 1.00 13.93 O ATOM 0 H GLY A 47 0.710 -3.508 12.965 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.630 -3.383 12.549 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.804 -4.224 13.846 1.00 11.68 H new ATOM 755 N LYS A 48 1.445 -5.319 11.280 1.00 10.47 N ATOM 756 CA LYS A 48 1.150 -6.520 10.564 1.00 8.82 C ATOM 757 C LYS A 48 1.613 -6.493 9.147 1.00 7.68 C ATOM 758 O LYS A 48 1.271 -5.590 8.386 1.00 6.47 O ATOM 759 CB LYS A 48 -0.368 -6.762 10.617 1.00 9.74 C ATOM 760 CG LYS A 48 -0.895 -8.130 10.178 1.00 14.14 C ATOM 761 CD LYS A 48 -0.254 -9.446 10.623 1.00 16.32 C ATOM 762 CE LYS A 48 -0.214 -9.656 12.138 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.579 -9.849 12.676 1.00 23.92 N ATOM 0 H LYS A 48 0.704 -4.619 11.245 1.00 10.47 H new ATOM 0 HA LYS A 48 1.695 -7.333 11.045 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.697 -6.591 11.642 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.848 -6.005 9.997 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.940 -8.174 10.486 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.884 -8.132 9.088 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.801 -10.273 10.169 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.764 -9.487 10.237 1.00 16.32 H new ATOM 0 HE2 LYS A 48 0.401 -10.524 12.374 1.00 20.04 H new ATOM 0 HE3 LYS A 48 0.253 -8.795 12.617 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -1.530 -9.990 13.705 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.156 -9.009 12.469 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.012 -10.684 12.233 1.00 23.92 H new ATOM 777 N GLN A 49 2.494 -7.393 8.677 1.00 8.89 N ATOM 778 CA GLN A 49 3.082 -7.329 7.375 1.00 7.18 C ATOM 779 C GLN A 49 2.231 -8.013 6.360 1.00 8.23 C ATOM 780 O GLN A 49 1.890 -9.187 6.497 1.00 9.70 O ATOM 781 CB GLN A 49 4.497 -7.928 7.436 1.00 11.67 C ATOM 782 CG GLN A 49 5.369 -7.164 8.435 1.00 15.82 C ATOM 783 CD GLN A 49 6.864 -7.418 8.303 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.450 -6.912 7.347 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.539 -8.212 9.176 1.00 20.67 N ATOM 0 H GLN A 49 2.809 -8.195 9.223 1.00 8.89 H new ATOM 0 HA GLN A 49 3.154 -6.288 7.061 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.440 -8.978 7.725 1.00 11.67 H new ATOM 0 HB3 GLN A 49 4.954 -7.894 6.447 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.184 -6.097 8.315 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.057 -7.430 9.445 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.050 -8.630 9.968 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.534 -8.390 9.039 1.00 20.67 H new ATOM 794 N LEU A 50 1.720 -7.269 5.362 1.00 6.51 N ATOM 795 CA LEU A 50 0.723 -7.720 4.442 1.00 7.41 C ATOM 796 C LEU A 50 1.309 -8.469 3.295 1.00 8.27 C ATOM 797 O LEU A 50 2.286 -8.053 2.675 1.00 8.34 O ATOM 798 CB LEU A 50 -0.109 -6.579 3.833 1.00 7.13 C ATOM 799 CG LEU A 50 -0.667 -5.631 4.907 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.574 -4.591 4.228 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.519 -6.382 5.945 1.00 8.14 C ATOM 0 H LEU A 50 2.016 -6.308 5.189 1.00 6.51 H new ATOM 0 HA LEU A 50 0.085 -8.364 5.048 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.509 -6.013 3.136 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.934 -7.000 3.258 1.00 7.13 H new ATOM 0 HG LEU A 50 0.180 -5.166 5.412 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.976 -3.912 4.980 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.995 -4.023 3.500 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.395 -5.099 3.722 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.895 -5.677 6.686 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.359 -6.865 5.446 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.908 -7.137 6.440 1.00 8.14 H new ATOM 813 N GLU A 51 0.829 -9.695 3.018 1.00 9.43 N ATOM 814 CA GLU A 51 1.163 -10.552 1.924 1.00 11.90 C ATOM 815 C GLU A 51 0.512 -10.177 0.637 1.00 11.49 C ATOM 816 O GLU A 51 -0.684 -9.889 0.631 1.00 9.88 O ATOM 817 CB GLU A 51 0.787 -11.961 2.413 1.00 16.56 C ATOM 818 CG GLU A 51 1.695 -12.457 3.541 1.00 26.06 C ATOM 819 CD GLU A 51 1.449 -13.872 4.044 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.237 -14.215 4.016 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.404 -14.658 4.284 1.00 32.13 O ATOM 0 H GLU A 51 0.134 -10.128 3.627 1.00 9.43 H new ATOM 0 HA GLU A 51 2.220 -10.477 1.670 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.247 -11.957 2.759 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.840 -12.658 1.576 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.728 -12.392 3.200 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.594 -11.774 4.384 1.00 26.06 H new ATOM 828 N ASP A 52 1.318 -10.187 -0.439 1.00 12.71 N ATOM 829 CA ASP A 52 1.129 -9.444 -1.646 1.00 16.56 C ATOM 830 C ASP A 52 -0.132 -9.807 -2.352 1.00 15.83 C ATOM 831 O ASP A 52 -0.834 -8.905 -2.806 1.00 17.21 O ATOM 832 CB ASP A 52 2.379 -9.575 -2.533 1.00 21.05 C ATOM 833 CG ASP A 52 3.646 -9.195 -1.781 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.843 -8.038 -1.321 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.519 -10.103 -1.743 1.00 25.82 O ATOM 0 H ASP A 52 2.164 -10.757 -0.466 1.00 12.71 H new ATOM 0 HA ASP A 52 1.007 -8.392 -1.390 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.464 -10.600 -2.893 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.271 -8.937 -3.410 1.00 21.05 H new ATOM 840 N GLY A 53 -0.447 -11.105 -2.512 1.00 15.00 N ATOM 841 CA GLY A 53 -1.593 -11.609 -3.203 1.00 11.77 C ATOM 842 C GLY A 53 -2.878 -11.653 -2.451 1.00 11.10 C ATOM 843 O GLY A 53 -3.940 -11.949 -2.996 1.00 11.25 O ATOM 0 H GLY A 53 0.138 -11.850 -2.134 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.744 -11.000 -4.095 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.365 -12.620 -3.542 1.00 11.77 H new ATOM 847 N ARG A 54 -2.874 -11.380 -1.134 1.00 8.53 N ATOM 848 CA ARG A 54 -3.990 -11.386 -0.240 1.00 9.05 C ATOM 849 C ARG A 54 -4.842 -10.174 -0.398 1.00 8.96 C ATOM 850 O ARG A 54 -4.445 -9.082 -0.801 1.00 11.60 O ATOM 851 CB ARG A 54 -3.547 -11.586 1.219 1.00 7.97 C ATOM 852 CG ARG A 54 -2.830 -12.900 1.533 1.00 9.62 C ATOM 853 CD ARG A 54 -2.987 -13.369 2.981 1.00 12.20 C ATOM 854 NE ARG A 54 -2.214 -14.639 3.067 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.766 -15.885 3.144 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.103 -16.078 2.948 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.989 -17.005 3.213 1.00 25.50 N ATOM 0 H ARG A 54 -2.009 -11.133 -0.653 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.608 -12.242 -0.511 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.888 -10.762 1.493 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.428 -11.515 1.857 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.210 -13.676 0.868 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.769 -12.783 1.314 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.602 -12.626 3.679 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.036 -13.529 3.232 1.00 12.20 H new ATOM 0 HE ARG A 54 -1.196 -14.573 3.068 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.708 -15.283 2.740 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.497 -17.017 3.010 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -0.972 -16.922 3.208 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.425 -17.925 3.270 1.00 25.50 H new ATOM 871 N THR A 55 -6.166 -10.269 -0.177 1.00 9.05 N ATOM 872 CA THR A 55 -6.998 -9.127 -0.397 1.00 9.03 C ATOM 873 C THR A 55 -6.941 -8.219 0.783 1.00 8.15 C ATOM 874 O THR A 55 -6.506 -8.667 1.843 1.00 5.91 O ATOM 875 CB THR A 55 -8.447 -9.451 -0.611 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.107 -10.063 0.488 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.542 -10.333 -1.866 1.00 11.71 C ATOM 0 H THR A 55 -6.649 -11.108 0.144 1.00 9.05 H new ATOM 0 HA THR A 55 -6.607 -8.669 -1.305 1.00 9.03 H new ATOM 0 HB THR A 55 -8.974 -8.505 -0.731 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.843 -11.005 0.544 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.585 -10.589 -2.053 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.142 -9.791 -2.723 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.966 -11.246 -1.714 1.00 11.71 H new ATOM 885 N LEU A 56 -7.431 -6.974 0.650 1.00 6.91 N ATOM 886 CA LEU A 56 -7.519 -6.114 1.789 1.00 8.29 C ATOM 887 C LEU A 56 -8.538 -6.487 2.811 1.00 8.05 C ATOM 888 O LEU A 56 -8.496 -6.055 3.962 1.00 10.17 O ATOM 889 CB LEU A 56 -7.915 -4.744 1.212 1.00 6.60 C ATOM 890 CG LEU A 56 -6.884 -3.977 0.366 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.535 -2.877 -0.490 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.918 -3.260 1.323 1.00 9.85 C ATOM 0 H LEU A 56 -7.760 -6.569 -0.226 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.566 -6.156 2.316 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.805 -4.887 0.600 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.201 -4.103 2.046 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.392 -4.699 -0.286 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.767 -2.364 -1.069 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.261 -3.325 -1.168 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.039 -2.161 0.159 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.176 -2.708 0.745 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.477 -2.567 1.952 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.415 -3.996 1.951 1.00 9.85 H new ATOM 904 N SER A 57 -9.532 -7.312 2.438 1.00 8.92 N ATOM 905 CA SER A 57 -10.696 -7.700 3.172 1.00 9.00 C ATOM 906 C SER A 57 -10.383 -8.940 3.937 1.00 9.44 C ATOM 907 O SER A 57 -11.066 -9.244 4.914 1.00 10.91 O ATOM 908 CB SER A 57 -11.826 -7.918 2.151 1.00 10.32 C ATOM 909 OG SER A 57 -13.042 -8.386 2.714 1.00 13.59 O ATOM 0 H SER A 57 -9.515 -7.755 1.519 1.00 8.92 H new ATOM 0 HA SER A 57 -11.009 -6.941 3.889 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.017 -6.978 1.633 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.488 -8.633 1.400 1.00 10.32 H new ATOM 0 HG SER A 57 -13.709 -8.498 2.005 1.00 13.59 H new ATOM 915 N ASP A 58 -9.351 -9.762 3.675 1.00 9.11 N ATOM 916 CA ASP A 58 -8.760 -10.779 4.487 1.00 7.91 C ATOM 917 C ASP A 58 -8.068 -10.262 5.701 1.00 9.12 C ATOM 918 O ASP A 58 -7.874 -10.971 6.687 1.00 8.61 O ATOM 919 CB ASP A 58 -7.731 -11.570 3.660 1.00 8.41 C ATOM 920 CG ASP A 58 -8.280 -12.447 2.545 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.104 -13.337 2.886 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.931 -12.254 1.350 1.00 10.05 O ATOM 0 H ASP A 58 -8.873 -9.701 2.776 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.587 -11.405 4.821 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.030 -10.861 3.221 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.161 -12.202 4.341 1.00 8.41 H new ATOM 927 N TYR A 59 -7.698 -8.971 5.629 1.00 7.97 N ATOM 928 CA TYR A 59 -7.118 -8.253 6.722 1.00 8.45 C ATOM 929 C TYR A 59 -8.100 -7.325 7.351 1.00 10.98 C ATOM 930 O TYR A 59 -7.946 -6.975 8.520 1.00 12.95 O ATOM 931 CB TYR A 59 -5.932 -7.386 6.267 1.00 7.94 C ATOM 932 CG TYR A 59 -4.804 -8.250 5.816 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.052 -8.917 6.754 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.517 -8.486 4.492 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.978 -9.701 6.408 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.390 -9.181 4.123 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.589 -9.743 5.089 1.00 6.76 C ATOM 938 OH TYR A 59 -1.401 -10.450 4.806 1.00 7.63 O ATOM 0 H TYR A 59 -7.806 -8.409 4.785 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.792 -9.014 7.431 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.243 -6.729 5.455 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.604 -6.747 7.087 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.314 -8.822 7.797 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.188 -8.119 3.730 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.450 -10.273 7.157 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.135 -9.285 3.079 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.501 -11.384 5.086 1.00 7.63 H new ATOM 948 N ASN A 60 -9.158 -6.975 6.599 1.00 12.38 N ATOM 949 CA ASN A 60 -10.215 -6.090 6.980 1.00 13.94 C ATOM 950 C ASN A 60 -9.737 -4.691 7.158 1.00 14.16 C ATOM 951 O ASN A 60 -9.785 -4.159 8.267 1.00 14.26 O ATOM 952 CB ASN A 60 -10.982 -6.561 8.227 1.00 19.23 C ATOM 953 CG ASN A 60 -11.518 -7.983 8.141 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.357 -8.261 7.285 1.00 25.45 O ATOM 955 ND2 ASN A 60 -10.992 -8.809 9.085 1.00 24.09 N ATOM 0 H ASN A 60 -9.283 -7.338 5.654 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.919 -6.108 6.148 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.323 -6.487 9.092 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.816 -5.882 8.402 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.292 -9.783 9.135 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -10.298 -8.455 9.743 1.00 24.09 H new ATOM 962 N ILE A 61 -9.209 -4.123 6.059 1.00 11.08 N ATOM 963 CA ILE A 61 -8.618 -2.823 5.980 1.00 11.78 C ATOM 964 C ILE A 61 -9.603 -1.884 5.372 1.00 13.74 C ATOM 965 O ILE A 61 -9.888 -1.981 4.179 1.00 14.60 O ATOM 966 CB ILE A 61 -7.379 -2.852 5.134 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.400 -3.794 5.855 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.811 -1.440 4.914 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.012 -3.973 5.241 1.00 11.42 C ATOM 0 H ILE A 61 -9.195 -4.608 5.162 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.346 -2.496 6.984 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.583 -3.220 4.128 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.272 -3.430 6.875 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.867 -4.777 5.923 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.914 -1.501 4.297 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.556 -0.822 4.412 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.560 -0.995 5.877 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.430 -4.662 5.853 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.109 -4.376 4.233 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.506 -3.009 5.199 1.00 11.42 H new ATOM 981 N GLN A 62 -10.259 -1.021 6.168 1.00 13.97 N ATOM 982 CA GLN A 62 -11.371 -0.266 5.679 1.00 15.52 C ATOM 983 C GLN A 62 -11.021 0.984 4.947 1.00 13.94 C ATOM 984 O GLN A 62 -9.841 1.133 4.632 1.00 12.15 O ATOM 985 CB GLN A 62 -12.313 0.019 6.861 1.00 19.53 C ATOM 986 CG GLN A 62 -11.773 1.008 7.896 1.00 26.38 C ATOM 987 CD GLN A 62 -12.718 1.275 9.059 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.941 1.350 8.951 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.054 1.618 10.195 1.00 32.71 N ATOM 0 H GLN A 62 -10.022 -0.846 7.144 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.862 -0.875 4.919 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.255 0.404 6.470 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.537 -0.922 7.363 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -10.831 0.626 8.289 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.552 1.952 7.398 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -11.038 1.538 10.236 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.572 1.955 11.006 1.00 32.71 H new ATOM 998 N LYS A 63 -11.950 1.933 4.734 1.00 11.73 N ATOM 999 CA LYS A 63 -11.719 3.247 4.219 1.00 11.97 C ATOM 1000 C LYS A 63 -11.029 4.136 5.196 1.00 10.41 C ATOM 1001 O LYS A 63 -11.083 3.975 6.414 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.053 3.850 3.749 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.011 4.281 4.861 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.288 4.886 4.274 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.436 3.889 4.101 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.653 4.485 3.506 1.00 25.97 N ATOM 0 H LYS A 63 -12.936 1.768 4.937 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.041 3.163 3.369 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.839 4.716 3.122 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.560 3.119 3.120 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.263 3.422 5.483 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.521 5.010 5.507 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.622 5.698 4.920 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.055 5.326 3.304 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.099 3.066 3.471 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.687 3.465 5.073 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.389 3.756 3.418 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.998 5.253 4.117 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.428 4.866 2.565 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.414 5.182 4.616 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.713 6.264 5.235 1.00 10.94 C ATOM 1022 C GLU A 64 -8.657 5.739 6.146 1.00 9.74 C ATOM 1023 O GLU A 64 -8.193 6.455 7.032 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.641 7.286 5.912 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.698 7.763 4.914 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.546 8.875 5.514 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.839 8.813 6.738 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -12.869 9.822 4.747 1.00 32.61 O ATOM 0 H GLU A 64 -10.409 5.277 3.600 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.221 6.831 4.445 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.123 6.835 6.779 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.061 8.134 6.275 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.212 8.120 4.006 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.336 6.928 4.627 1.00 24.16 H new ATOM 1035 N SER A 65 -8.174 4.496 5.972 1.00 6.85 N ATOM 1036 CA SER A 65 -7.048 3.918 6.638 1.00 6.90 C ATOM 1037 C SER A 65 -5.722 4.523 6.328 1.00 4.72 C ATOM 1038 O SER A 65 -5.497 4.924 5.187 1.00 3.91 O ATOM 1039 CB SER A 65 -7.065 2.400 6.392 1.00 7.28 C ATOM 1040 OG SER A 65 -8.170 1.735 6.987 1.00 10.56 O ATOM 0 H SER A 65 -8.605 3.846 5.315 1.00 6.85 H new ATOM 0 HA SER A 65 -7.164 4.143 7.698 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.077 2.216 5.318 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.142 1.968 6.779 1.00 7.28 H new ATOM 0 HG SER A 65 -8.796 1.452 6.288 1.00 10.56 H new ATOM 1046 N THR A 66 -4.807 4.691 7.299 1.00 4.48 N ATOM 1047 CA THR A 66 -3.433 5.085 7.253 1.00 3.80 C ATOM 1048 C THR A 66 -2.637 3.831 7.129 1.00 4.60 C ATOM 1049 O THR A 66 -2.679 3.106 8.122 1.00 5.33 O ATOM 1050 CB THR A 66 -3.037 5.881 8.462 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.584 7.182 8.309 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.504 5.989 8.516 1.00 3.40 C ATOM 0 H THR A 66 -5.082 4.522 8.267 1.00 4.48 H new ATOM 0 HA THR A 66 -3.250 5.744 6.405 1.00 3.80 H new ATOM 0 HB THR A 66 -3.398 5.407 9.375 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.345 7.731 9.085 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.211 6.567 9.393 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.071 4.991 8.578 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.142 6.487 7.616 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.896 3.646 6.022 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.035 2.519 5.838 1.00 3.85 C ATOM 1062 C LEU A 67 0.392 2.947 5.839 1.00 3.80 C ATOM 1063 O LEU A 67 0.699 4.074 5.455 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.383 1.720 4.571 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.506 0.676 4.690 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.879 1.361 4.792 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.493 -0.344 3.539 1.00 8.12 C ATOM 0 H LEU A 67 -1.895 4.296 5.236 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.192 1.845 6.680 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.660 2.428 3.790 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.481 1.210 4.234 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.320 0.119 5.608 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.658 0.603 4.875 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.901 2.003 5.673 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.052 1.963 3.900 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.307 -1.056 3.675 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.621 0.177 2.590 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.542 -0.876 3.535 1.00 8.12 H new ATOM 1079 N HIS A 68 1.293 1.956 5.957 1.00 2.94 N ATOM 1080 CA HIS A 68 2.687 2.274 5.912 1.00 4.17 C ATOM 1081 C HIS A 68 3.378 1.523 4.826 1.00 5.32 C ATOM 1082 O HIS A 68 3.124 0.325 4.705 1.00 7.70 O ATOM 1083 CB HIS A 68 3.334 1.869 7.247 1.00 5.57 C ATOM 1084 CG HIS A 68 2.832 2.590 8.463 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.881 2.009 9.714 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.212 3.789 8.623 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.212 2.835 10.562 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.797 3.918 9.933 1.00 16.30 N ATOM 0 H HIS A 68 1.070 0.968 6.079 1.00 2.94 H new ATOM 0 HA HIS A 68 2.784 3.344 5.727 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.181 0.800 7.393 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.409 2.030 7.171 1.00 5.57 H new ATOM 0 HD2 HIS A 68 2.067 4.525 7.847 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.043 2.632 11.609 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.274 4.696 10.335 1.00 16.30 H new ATOM 1096 N LEU A 69 4.248 2.182 4.040 1.00 5.29 N ATOM 1097 CA LEU A 69 5.007 1.587 2.985 1.00 3.97 C ATOM 1098 C LEU A 69 6.332 1.204 3.550 1.00 5.07 C ATOM 1099 O LEU A 69 7.015 1.967 4.232 1.00 4.34 O ATOM 1100 CB LEU A 69 5.212 2.662 1.905 1.00 6.08 C ATOM 1101 CG LEU A 69 6.184 2.356 0.753 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.641 1.221 -0.132 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.313 3.561 -0.194 1.00 6.87 C ATOM 0 H LEU A 69 4.431 3.180 4.146 1.00 5.29 H new ATOM 0 HA LEU A 69 4.508 0.715 2.564 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.239 2.886 1.469 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.557 3.570 2.400 1.00 6.08 H new ATOM 0 HG LEU A 69 7.135 2.098 1.219 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.345 1.021 -0.940 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.514 0.320 0.469 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.680 1.516 -0.552 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.006 3.318 -1.000 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.336 3.799 -0.615 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.688 4.421 0.361 1.00 6.87 H new ATOM 1115 N VAL A 70 6.889 0.000 3.329 1.00 4.29 N ATOM 1116 CA VAL A 70 8.290 -0.196 3.540 1.00 6.26 C ATOM 1117 C VAL A 70 8.870 -0.593 2.227 1.00 9.22 C ATOM 1118 O VAL A 70 8.185 -1.120 1.351 1.00 9.36 O ATOM 1119 CB VAL A 70 8.633 -1.152 4.644 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.182 -0.684 6.037 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.992 -2.528 4.396 1.00 8.54 C ATOM 0 H VAL A 70 6.381 -0.825 3.010 1.00 4.29 H new ATOM 0 HA VAL A 70 8.729 0.736 3.896 1.00 6.26 H new ATOM 0 HB VAL A 70 9.722 -1.207 4.634 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.466 -1.429 6.781 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.660 0.266 6.274 1.00 9.76 H new ATOM 0 HG13 VAL A 70 7.099 -0.558 6.046 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.255 -3.204 5.210 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.908 -2.421 4.349 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.358 -2.935 3.453 1.00 8.54 H new ATOM 1131 N LEU A 71 10.165 -0.289 2.032 1.00 12.71 N ATOM 1132 CA LEU A 71 10.891 -0.760 0.894 1.00 16.06 C ATOM 1133 C LEU A 71 11.898 -1.780 1.303 1.00 18.09 C ATOM 1134 O LEU A 71 12.361 -1.631 2.432 1.00 19.26 O ATOM 1135 CB LEU A 71 11.647 0.319 0.099 1.00 17.10 C ATOM 1136 CG LEU A 71 10.955 1.049 -1.064 1.00 19.37 C ATOM 1137 CD1 LEU A 71 9.560 1.659 -0.847 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.779 2.064 -1.875 1.00 17.51 C ATOM 0 H LEU A 71 10.714 0.289 2.669 1.00 12.71 H new ATOM 0 HA LEU A 71 10.117 -1.167 0.244 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.970 1.078 0.811 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.548 -0.146 -0.301 1.00 17.10 H new ATOM 0 HG LEU A 71 10.832 0.135 -1.646 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.223 2.134 -1.768 1.00 19.57 H new ATOM 0 HD12 LEU A 71 8.859 0.873 -0.567 1.00 19.57 H new ATOM 0 HD13 LEU A 71 9.608 2.403 -0.052 1.00 19.57 H new ATOM 0 HD21 LEU A 71 11.156 2.495 -2.659 1.00 17.51 H new ATOM 0 HD22 LEU A 71 12.132 2.856 -1.215 1.00 17.51 H new ATOM 0 HD23 LEU A 71 12.634 1.561 -2.327 1.00 17.51 H new