USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot 81:sc= 1.02 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.232 K(o=0.79,f=-0.15) USER MOD Set 2.1: A 40 ASN : amide:sc= -0.181 K(o=-0.25,f=-2.9!) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= -0.0673 USER MOD Set 3.1: A 5 GLN : amide:sc= -1.63! K(o=-1.9!,f=2.2) USER MOD Set 3.2: A 35 THR OG1 : rot -62:sc= -0.297 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc=-0.00688 (180deg=-0.0307) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.53) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -149:sc= -1.08 (180deg=-1.39) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0386 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= 0.841 (180deg=0.512) USER MOD Single : A 31 MET CE :methyl -175:sc= 0 (180deg=-0.0265) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 47 ASN : amide:sc= -0.371 K(o=-0.37,f=-1.1) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -167:sc= -0.606 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -5.18! C(o=-5.2!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.383 -3.641 -21.490 1.00 7.18 N ATOM 2 CA MET A 1 7.759 -3.497 -22.823 1.00 6.08 C ATOM 3 C MET A 1 7.080 -2.135 -22.990 1.00 4.39 C ATOM 4 O MET A 1 7.300 -1.470 -23.996 1.00 3.73 O ATOM 5 CB MET A 1 6.850 -4.686 -23.172 1.00 7.27 C ATOM 6 CG MET A 1 5.615 -4.871 -22.276 1.00 8.71 C ATOM 7 SD MET A 1 5.157 -6.609 -22.042 1.00 10.84 S ATOM 8 CE MET A 1 3.747 -6.434 -20.929 1.00 12.16 C ATOM 0 H1 MET A 1 8.743 -4.610 -21.378 1.00 7.18 H new ATOM 0 H2 MET A 1 9.170 -2.967 -21.400 1.00 7.18 H new ATOM 0 H3 MET A 1 7.676 -3.447 -20.753 1.00 7.18 H new ATOM 0 HA MET A 1 8.560 -3.521 -23.562 1.00 6.08 H new ATOM 0 HB2 MET A 1 6.514 -4.571 -24.202 1.00 7.27 H new ATOM 0 HB3 MET A 1 7.445 -5.598 -23.131 1.00 7.27 H new ATOM 0 HG2 MET A 1 5.809 -4.419 -21.303 1.00 8.71 H new ATOM 0 HG3 MET A 1 4.773 -4.336 -22.714 1.00 8.71 H new ATOM 0 HE1 MET A 1 3.349 -7.420 -20.688 1.00 12.16 H new ATOM 0 HE2 MET A 1 4.066 -5.938 -20.012 1.00 12.16 H new ATOM 0 HE3 MET A 1 2.973 -5.838 -21.413 1.00 12.16 H new ATOM 20 N LEU A 2 6.314 -1.700 -21.986 1.00 4.28 N ATOM 21 CA LEU A 2 5.805 -0.339 -21.874 1.00 3.18 C ATOM 22 C LEU A 2 6.324 0.233 -20.555 1.00 2.51 C ATOM 23 O LEU A 2 6.950 -0.494 -19.783 1.00 3.32 O ATOM 24 CB LEU A 2 4.271 -0.364 -21.929 1.00 4.31 C ATOM 25 CG LEU A 2 3.755 -0.658 -23.348 1.00 4.96 C ATOM 26 CD1 LEU A 2 2.318 -1.186 -23.287 1.00 6.40 C ATOM 27 CD2 LEU A 2 3.796 0.607 -24.216 1.00 5.15 C ATOM 0 H LEU A 2 6.027 -2.301 -21.214 1.00 4.28 H new ATOM 0 HA LEU A 2 6.145 0.292 -22.696 1.00 3.18 H new ATOM 0 HB2 LEU A 2 3.895 -1.121 -21.241 1.00 4.31 H new ATOM 0 HB3 LEU A 2 3.879 0.596 -21.591 1.00 4.31 H new ATOM 0 HG LEU A 2 4.403 -1.413 -23.794 1.00 4.96 H new ATOM 0 HD11 LEU A 2 1.962 -1.391 -24.297 1.00 6.40 H new ATOM 0 HD12 LEU A 2 2.292 -2.104 -22.700 1.00 6.40 H new ATOM 0 HD13 LEU A 2 1.675 -0.439 -22.821 1.00 6.40 H new ATOM 0 HD21 LEU A 2 3.427 0.375 -25.215 1.00 5.15 H new ATOM 0 HD22 LEU A 2 3.169 1.377 -23.767 1.00 5.15 H new ATOM 0 HD23 LEU A 2 4.822 0.969 -24.284 1.00 5.15 H new ATOM 39 N SER A 3 6.092 1.527 -20.328 1.00 1.69 N ATOM 40 CA SER A 3 6.500 2.259 -19.134 1.00 1.61 C ATOM 41 C SER A 3 5.357 3.200 -18.761 1.00 1.37 C ATOM 42 O SER A 3 5.437 4.410 -18.962 1.00 1.78 O ATOM 43 CB SER A 3 7.825 2.993 -19.397 1.00 1.99 C ATOM 44 OG SER A 3 7.901 3.482 -20.726 1.00 3.13 O ATOM 0 H SER A 3 5.595 2.114 -20.998 1.00 1.69 H new ATOM 0 HA SER A 3 6.688 1.591 -18.293 1.00 1.61 H new ATOM 0 HB2 SER A 3 7.926 3.823 -18.698 1.00 1.99 H new ATOM 0 HB3 SER A 3 8.659 2.316 -19.210 1.00 1.99 H new ATOM 0 HG SER A 3 8.755 3.944 -20.856 1.00 3.13 H new ATOM 50 N GLU A 4 4.261 2.615 -18.276 1.00 0.83 N ATOM 51 CA GLU A 4 3.030 3.310 -17.954 1.00 0.49 C ATOM 52 C GLU A 4 2.555 2.817 -16.590 1.00 0.42 C ATOM 53 O GLU A 4 2.374 1.619 -16.377 1.00 0.63 O ATOM 54 CB GLU A 4 2.006 3.107 -19.082 1.00 0.66 C ATOM 55 CG GLU A 4 1.714 1.636 -19.416 1.00 1.79 C ATOM 56 CD GLU A 4 0.933 1.513 -20.717 1.00 2.35 C ATOM 57 OE1 GLU A 4 1.480 1.971 -21.742 1.00 3.29 O ATOM 58 OE2 GLU A 4 -0.186 0.958 -20.664 1.00 2.81 O ATOM 0 H GLU A 4 4.212 1.613 -18.093 1.00 0.83 H new ATOM 0 HA GLU A 4 3.178 4.388 -17.882 1.00 0.49 H new ATOM 0 HB2 GLU A 4 1.073 3.596 -18.801 1.00 0.66 H new ATOM 0 HB3 GLU A 4 2.369 3.606 -19.980 1.00 0.66 H new ATOM 0 HG2 GLU A 4 2.651 1.086 -19.498 1.00 1.79 H new ATOM 0 HG3 GLU A 4 1.147 1.181 -18.604 1.00 1.79 H new ATOM 65 N GLN A 5 2.409 3.748 -15.649 1.00 0.30 N ATOM 66 CA GLN A 5 2.103 3.426 -14.270 1.00 0.24 C ATOM 67 C GLN A 5 0.604 3.247 -14.057 1.00 0.24 C ATOM 68 O GLN A 5 -0.202 3.606 -14.916 1.00 0.32 O ATOM 69 CB GLN A 5 2.716 4.483 -13.350 1.00 0.24 C ATOM 70 CG GLN A 5 2.162 5.905 -13.533 1.00 0.26 C ATOM 71 CD GLN A 5 2.822 6.901 -12.580 1.00 0.43 C ATOM 72 OE1 GLN A 5 2.496 8.084 -12.591 1.00 0.99 O ATOM 73 NE2 GLN A 5 3.733 6.432 -11.732 1.00 0.38 N ATOM 0 H GLN A 5 2.501 4.748 -15.829 1.00 0.30 H new ATOM 0 HA GLN A 5 2.551 2.465 -14.016 1.00 0.24 H new ATOM 0 HB2 GLN A 5 2.558 4.178 -12.316 1.00 0.24 H new ATOM 0 HB3 GLN A 5 3.793 4.505 -13.514 1.00 0.24 H new ATOM 0 HG2 GLN A 5 2.321 6.227 -14.562 1.00 0.26 H new ATOM 0 HG3 GLN A 5 1.085 5.900 -13.364 1.00 0.26 H new ATOM 0 HE21 GLN A 5 3.983 5.443 -11.747 1.00 0.38 H new ATOM 0 HE22 GLN A 5 4.182 7.061 -11.066 1.00 0.38 H new ATOM 82 N LYS A 6 0.229 2.696 -12.901 1.00 0.26 N ATOM 83 CA LYS A 6 -1.161 2.471 -12.546 1.00 0.41 C ATOM 84 C LYS A 6 -1.379 2.804 -11.076 1.00 0.26 C ATOM 85 O LYS A 6 -0.472 2.696 -10.250 1.00 0.21 O ATOM 86 CB LYS A 6 -1.562 1.018 -12.842 1.00 0.66 C ATOM 87 CG LYS A 6 -2.349 0.862 -14.152 1.00 1.11 C ATOM 88 CD LYS A 6 -3.856 1.062 -13.915 1.00 1.00 C ATOM 89 CE LYS A 6 -4.661 0.734 -15.182 1.00 1.70 C ATOM 90 NZ LYS A 6 -6.116 0.715 -14.919 1.00 2.51 N ATOM 0 H LYS A 6 0.890 2.394 -12.185 1.00 0.26 H new ATOM 0 HA LYS A 6 -1.792 3.124 -13.149 1.00 0.41 H new ATOM 0 HB2 LYS A 6 -0.664 0.403 -12.890 1.00 0.66 H new ATOM 0 HB3 LYS A 6 -2.164 0.639 -12.016 1.00 0.66 H new ATOM 0 HG2 LYS A 6 -1.993 1.587 -14.883 1.00 1.11 H new ATOM 0 HG3 LYS A 6 -2.171 -0.128 -14.572 1.00 1.11 H new ATOM 0 HD2 LYS A 6 -4.186 0.425 -13.095 1.00 1.00 H new ATOM 0 HD3 LYS A 6 -4.047 2.092 -13.615 1.00 1.00 H new ATOM 0 HE2 LYS A 6 -4.441 1.472 -15.954 1.00 1.70 H new ATOM 0 HE3 LYS A 6 -4.349 -0.236 -15.570 1.00 1.70 H new ATOM 0 HZ1 LYS A 6 -6.625 0.490 -15.798 1.00 2.51 H new ATOM 0 HZ2 LYS A 6 -6.330 -0.006 -14.201 1.00 2.51 H new ATOM 0 HZ3 LYS A 6 -6.418 1.648 -14.573 1.00 2.51 H new ATOM 104 N GLU A 7 -2.623 3.182 -10.796 1.00 0.32 N ATOM 105 CA GLU A 7 -3.213 3.331 -9.486 1.00 0.33 C ATOM 106 C GLU A 7 -3.833 1.982 -9.126 1.00 0.35 C ATOM 107 O GLU A 7 -4.610 1.435 -9.910 1.00 0.59 O ATOM 108 CB GLU A 7 -4.255 4.467 -9.524 1.00 0.49 C ATOM 109 CG GLU A 7 -5.091 4.516 -10.818 1.00 0.69 C ATOM 110 CD GLU A 7 -6.170 5.592 -10.791 1.00 1.18 C ATOM 111 OE1 GLU A 7 -6.215 6.348 -9.798 1.00 2.24 O ATOM 112 OE2 GLU A 7 -6.922 5.637 -11.788 1.00 2.25 O ATOM 0 H GLU A 7 -3.286 3.406 -11.538 1.00 0.32 H new ATOM 0 HA GLU A 7 -2.479 3.603 -8.727 1.00 0.33 H new ATOM 0 HB2 GLU A 7 -4.928 4.356 -8.674 1.00 0.49 H new ATOM 0 HB3 GLU A 7 -3.741 5.420 -9.401 1.00 0.49 H new ATOM 0 HG2 GLU A 7 -4.429 4.695 -11.665 1.00 0.69 H new ATOM 0 HG3 GLU A 7 -5.559 3.545 -10.979 1.00 0.69 H new ATOM 119 N ILE A 8 -3.467 1.428 -7.970 1.00 0.24 N ATOM 120 CA ILE A 8 -4.152 0.301 -7.365 1.00 0.22 C ATOM 121 C ILE A 8 -4.882 0.826 -6.135 1.00 0.24 C ATOM 122 O ILE A 8 -4.404 1.772 -5.508 1.00 0.28 O ATOM 123 CB ILE A 8 -3.134 -0.806 -7.018 1.00 0.24 C ATOM 124 CG1 ILE A 8 -3.758 -2.208 -7.062 1.00 0.45 C ATOM 125 CG2 ILE A 8 -2.447 -0.584 -5.665 1.00 0.47 C ATOM 126 CD1 ILE A 8 -3.926 -2.662 -8.514 1.00 1.10 C ATOM 0 H ILE A 8 -2.672 1.760 -7.424 1.00 0.24 H new ATOM 0 HA ILE A 8 -4.875 -0.147 -8.047 1.00 0.22 H new ATOM 0 HB ILE A 8 -2.371 -0.743 -7.794 1.00 0.24 H new ATOM 0 HG12 ILE A 8 -3.126 -2.913 -6.523 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.726 -2.200 -6.561 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -1.743 -1.395 -5.477 1.00 0.47 H new ATOM 0 HG22 ILE A 8 -1.912 0.365 -5.680 1.00 0.47 H new ATOM 0 HG23 ILE A 8 -3.197 -0.565 -4.875 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -4.369 -3.658 -8.535 1.00 1.10 H new ATOM 0 HD12 ILE A 8 -4.577 -1.964 -9.041 1.00 1.10 H new ATOM 0 HD13 ILE A 8 -2.952 -2.688 -9.002 1.00 1.10 H new ATOM 138 N ALA A 9 -5.994 0.183 -5.772 1.00 0.25 N ATOM 139 CA ALA A 9 -6.705 0.407 -4.526 1.00 0.25 C ATOM 140 C ALA A 9 -7.090 -0.953 -3.961 1.00 0.28 C ATOM 141 O ALA A 9 -7.542 -1.801 -4.728 1.00 0.35 O ATOM 142 CB ALA A 9 -7.939 1.280 -4.768 1.00 0.31 C ATOM 0 H ALA A 9 -6.432 -0.527 -6.359 1.00 0.25 H new ATOM 0 HA ALA A 9 -6.074 0.936 -3.811 1.00 0.25 H new ATOM 0 HB1 ALA A 9 -8.462 1.440 -3.825 1.00 0.31 H new ATOM 0 HB2 ALA A 9 -7.630 2.241 -5.179 1.00 0.31 H new ATOM 0 HB3 ALA A 9 -8.605 0.782 -5.473 1.00 0.31 H new ATOM 148 N MET A 10 -6.868 -1.178 -2.663 1.00 0.27 N ATOM 149 CA MET A 10 -7.281 -2.411 -2.003 1.00 0.30 C ATOM 150 C MET A 10 -7.442 -2.204 -0.492 1.00 0.30 C ATOM 151 O MET A 10 -7.058 -1.157 0.033 1.00 0.31 O ATOM 152 CB MET A 10 -6.330 -3.560 -2.343 1.00 0.44 C ATOM 153 CG MET A 10 -4.882 -3.272 -1.940 1.00 0.55 C ATOM 154 SD MET A 10 -3.885 -2.393 -3.161 1.00 1.41 S ATOM 155 CE MET A 10 -2.416 -2.018 -2.179 1.00 0.81 C ATOM 0 H MET A 10 -6.400 -0.513 -2.047 1.00 0.27 H new ATOM 0 HA MET A 10 -8.263 -2.693 -2.384 1.00 0.30 H new ATOM 0 HB2 MET A 10 -6.669 -4.466 -1.841 1.00 0.44 H new ATOM 0 HB3 MET A 10 -6.372 -3.755 -3.415 1.00 0.44 H new ATOM 0 HG2 MET A 10 -4.890 -2.689 -1.019 1.00 0.55 H new ATOM 0 HG3 MET A 10 -4.393 -4.219 -1.714 1.00 0.55 H new ATOM 0 HE1 MET A 10 -1.698 -1.473 -2.792 1.00 0.81 H new ATOM 0 HE2 MET A 10 -2.698 -1.407 -1.321 1.00 0.81 H new ATOM 0 HE3 MET A 10 -1.964 -2.947 -1.831 1.00 0.81 H new ATOM 165 N GLN A 11 -7.996 -3.204 0.204 1.00 0.32 N ATOM 166 CA GLN A 11 -8.286 -3.137 1.631 1.00 0.29 C ATOM 167 C GLN A 11 -7.115 -3.694 2.438 1.00 0.28 C ATOM 168 O GLN A 11 -6.369 -4.545 1.948 1.00 0.36 O ATOM 169 CB GLN A 11 -9.608 -3.829 2.016 1.00 0.33 C ATOM 170 CG GLN A 11 -10.691 -3.877 0.926 1.00 0.39 C ATOM 171 CD GLN A 11 -10.567 -5.166 0.120 1.00 0.85 C ATOM 172 OE1 GLN A 11 -11.026 -6.218 0.552 1.00 1.98 O ATOM 173 NE2 GLN A 11 -9.901 -5.124 -1.026 1.00 0.57 N ATOM 0 H GLN A 11 -8.257 -4.094 -0.220 1.00 0.32 H new ATOM 0 HA GLN A 11 -8.418 -2.083 1.877 1.00 0.29 H new ATOM 0 HB2 GLN A 11 -9.384 -4.851 2.321 1.00 0.33 H new ATOM 0 HB3 GLN A 11 -10.021 -3.320 2.887 1.00 0.33 H new ATOM 0 HG2 GLN A 11 -11.679 -3.818 1.382 1.00 0.39 H new ATOM 0 HG3 GLN A 11 -10.592 -3.015 0.266 1.00 0.39 H new ATOM 0 HE21 GLN A 11 -9.528 -4.238 -1.367 1.00 0.57 H new ATOM 0 HE22 GLN A 11 -9.762 -5.978 -1.567 1.00 0.57 H new ATOM 182 N VAL A 12 -6.961 -3.220 3.675 1.00 0.31 N ATOM 183 CA VAL A 12 -5.890 -3.641 4.578 1.00 0.30 C ATOM 184 C VAL A 12 -6.481 -4.355 5.795 1.00 0.37 C ATOM 185 O VAL A 12 -7.698 -4.375 5.962 1.00 0.81 O ATOM 186 CB VAL A 12 -4.983 -2.447 4.944 1.00 0.37 C ATOM 187 CG1 VAL A 12 -3.539 -2.891 5.210 1.00 0.38 C ATOM 188 CG2 VAL A 12 -4.935 -1.418 3.809 1.00 0.46 C ATOM 0 H VAL A 12 -7.585 -2.524 4.083 1.00 0.31 H new ATOM 0 HA VAL A 12 -5.246 -4.362 4.074 1.00 0.30 H new ATOM 0 HB VAL A 12 -5.414 -2.009 5.844 1.00 0.37 H new ATOM 0 HG11 VAL A 12 -2.932 -2.022 5.464 1.00 0.38 H new ATOM 0 HG12 VAL A 12 -3.523 -3.600 6.038 1.00 0.38 H new ATOM 0 HG13 VAL A 12 -3.134 -3.367 4.317 1.00 0.38 H new ATOM 0 HG21 VAL A 12 -4.288 -0.589 4.097 1.00 0.46 H new ATOM 0 HG22 VAL A 12 -4.542 -1.889 2.908 1.00 0.46 H new ATOM 0 HG23 VAL A 12 -5.940 -1.044 3.615 1.00 0.46 H new ATOM 198 N SER A 13 -5.637 -4.957 6.637 1.00 0.34 N ATOM 199 CA SER A 13 -6.053 -5.617 7.866 1.00 0.37 C ATOM 200 C SER A 13 -5.198 -5.148 9.045 1.00 0.49 C ATOM 201 O SER A 13 -3.972 -5.161 8.956 1.00 0.70 O ATOM 202 CB SER A 13 -5.937 -7.128 7.661 1.00 0.57 C ATOM 203 OG SER A 13 -6.702 -7.832 8.621 1.00 0.72 O ATOM 0 H SER A 13 -4.630 -4.997 6.477 1.00 0.34 H new ATOM 0 HA SER A 13 -7.086 -5.361 8.099 1.00 0.37 H new ATOM 0 HB2 SER A 13 -6.276 -7.389 6.659 1.00 0.57 H new ATOM 0 HB3 SER A 13 -4.892 -7.429 7.733 1.00 0.57 H new ATOM 0 HG SER A 13 -6.613 -8.796 8.468 1.00 0.72 H new ATOM 209 N GLY A 14 -5.850 -4.782 10.157 1.00 0.53 N ATOM 210 CA GLY A 14 -5.213 -4.520 11.446 1.00 0.80 C ATOM 211 C GLY A 14 -4.795 -3.060 11.629 1.00 0.77 C ATOM 212 O GLY A 14 -3.818 -2.779 12.319 1.00 1.38 O ATOM 0 H GLY A 14 -6.862 -4.658 10.181 1.00 0.53 H new ATOM 0 HA2 GLY A 14 -5.900 -4.797 12.246 1.00 0.80 H new ATOM 0 HA3 GLY A 14 -4.334 -5.157 11.545 1.00 0.80 H new ATOM 216 N MET A 15 -5.534 -2.119 11.036 1.00 0.79 N ATOM 217 CA MET A 15 -5.155 -0.714 10.978 1.00 0.77 C ATOM 218 C MET A 15 -5.901 0.093 12.037 1.00 0.89 C ATOM 219 O MET A 15 -6.969 0.640 11.773 1.00 1.65 O ATOM 220 CB MET A 15 -5.373 -0.136 9.571 1.00 1.08 C ATOM 221 CG MET A 15 -6.755 -0.356 8.941 1.00 1.00 C ATOM 222 SD MET A 15 -6.992 -1.955 8.141 1.00 2.70 S ATOM 223 CE MET A 15 -8.455 -1.519 7.196 1.00 3.09 C ATOM 0 H MET A 15 -6.423 -2.319 10.578 1.00 0.79 H new ATOM 0 HA MET A 15 -4.089 -0.642 11.196 1.00 0.77 H new ATOM 0 HB2 MET A 15 -5.184 0.937 9.611 1.00 1.08 H new ATOM 0 HB3 MET A 15 -4.624 -0.567 8.907 1.00 1.08 H new ATOM 0 HG2 MET A 15 -7.512 -0.241 9.717 1.00 1.00 H new ATOM 0 HG3 MET A 15 -6.930 0.429 8.205 1.00 1.00 H new ATOM 0 HE1 MET A 15 -9.084 -2.401 7.072 1.00 3.09 H new ATOM 0 HE2 MET A 15 -9.013 -0.747 7.725 1.00 3.09 H new ATOM 0 HE3 MET A 15 -8.157 -1.145 6.217 1.00 3.09 H new ATOM 233 N THR A 16 -5.323 0.244 13.226 1.00 1.54 N ATOM 234 CA THR A 16 -5.992 0.951 14.318 1.00 1.76 C ATOM 235 C THR A 16 -5.889 2.483 14.164 1.00 1.19 C ATOM 236 O THR A 16 -5.610 3.190 15.129 1.00 1.72 O ATOM 237 CB THR A 16 -5.469 0.426 15.667 1.00 2.80 C ATOM 238 OG1 THR A 16 -5.262 -0.975 15.604 1.00 4.00 O ATOM 239 CG2 THR A 16 -6.502 0.657 16.771 1.00 3.69 C ATOM 0 H THR A 16 -4.396 -0.112 13.459 1.00 1.54 H new ATOM 0 HA THR A 16 -7.061 0.743 14.281 1.00 1.76 H new ATOM 0 HB THR A 16 -4.541 0.956 15.880 1.00 2.80 H new ATOM 0 HG1 THR A 16 -4.928 -1.295 16.468 1.00 4.00 H new ATOM 0 HG21 THR A 16 -6.114 0.279 17.717 1.00 3.69 H new ATOM 0 HG22 THR A 16 -6.705 1.724 16.862 1.00 3.69 H new ATOM 0 HG23 THR A 16 -7.424 0.132 16.522 1.00 3.69 H new ATOM 247 N CYS A 17 -6.134 2.996 12.952 1.00 0.85 N ATOM 248 CA CYS A 17 -6.102 4.411 12.595 1.00 1.60 C ATOM 249 C CYS A 17 -4.830 5.064 13.142 1.00 1.50 C ATOM 250 O CYS A 17 -3.774 4.503 12.886 1.00 2.16 O ATOM 251 CB CYS A 17 -7.443 5.079 12.918 1.00 2.49 C ATOM 252 SG CYS A 17 -7.509 6.756 12.234 1.00 3.89 S ATOM 0 H CYS A 17 -6.371 2.402 12.157 1.00 0.85 H new ATOM 0 HA CYS A 17 -6.014 4.553 11.518 1.00 1.60 H new ATOM 0 HB2 CYS A 17 -8.259 4.483 12.510 1.00 2.49 H new ATOM 0 HB3 CYS A 17 -7.585 5.116 13.998 1.00 2.49 H new ATOM 0 HG CYS A 17 -8.656 7.297 12.521 1.00 3.89 H new ATOM 258 N ALA A 18 -4.869 6.201 13.846 1.00 1.30 N ATOM 259 CA ALA A 18 -3.699 6.867 14.420 1.00 1.53 C ATOM 260 C ALA A 18 -2.459 6.836 13.506 1.00 1.60 C ATOM 261 O ALA A 18 -1.355 6.530 13.949 1.00 2.75 O ATOM 262 CB ALA A 18 -3.416 6.276 15.806 1.00 1.80 C ATOM 0 H ALA A 18 -5.741 6.695 14.036 1.00 1.30 H new ATOM 0 HA ALA A 18 -3.933 7.927 14.520 1.00 1.53 H new ATOM 0 HB1 ALA A 18 -2.545 6.767 16.240 1.00 1.80 H new ATOM 0 HB2 ALA A 18 -4.280 6.432 16.452 1.00 1.80 H new ATOM 0 HB3 ALA A 18 -3.221 5.208 15.713 1.00 1.80 H new ATOM 268 N ALA A 19 -2.648 7.162 12.220 1.00 0.90 N ATOM 269 CA ALA A 19 -1.600 7.211 11.199 1.00 0.76 C ATOM 270 C ALA A 19 -0.900 5.862 10.949 1.00 0.62 C ATOM 271 O ALA A 19 0.172 5.825 10.346 1.00 0.60 O ATOM 272 CB ALA A 19 -0.591 8.321 11.529 1.00 0.94 C ATOM 0 H ALA A 19 -3.567 7.407 11.852 1.00 0.90 H new ATOM 0 HA ALA A 19 -2.097 7.445 10.257 1.00 0.76 H new ATOM 0 HB1 ALA A 19 0.184 8.348 10.763 1.00 0.94 H new ATOM 0 HB2 ALA A 19 -1.104 9.282 11.560 1.00 0.94 H new ATOM 0 HB3 ALA A 19 -0.135 8.122 12.499 1.00 0.94 H new ATOM 278 N CYS A 20 -1.503 4.745 11.360 1.00 0.67 N ATOM 279 CA CYS A 20 -0.903 3.421 11.239 1.00 0.69 C ATOM 280 C CYS A 20 -0.898 3.033 9.772 1.00 0.56 C ATOM 281 O CYS A 20 0.156 2.865 9.170 1.00 0.52 O ATOM 282 CB CYS A 20 -1.646 2.380 12.089 1.00 0.87 C ATOM 283 SG CYS A 20 -1.113 2.527 13.813 1.00 1.18 S ATOM 0 H CYS A 20 -2.428 4.737 11.789 1.00 0.67 H new ATOM 0 HA CYS A 20 0.119 3.451 11.617 1.00 0.69 H new ATOM 0 HB2 CYS A 20 -2.723 2.534 12.015 1.00 0.87 H new ATOM 0 HB3 CYS A 20 -1.441 1.376 11.717 1.00 0.87 H new ATOM 0 HG CYS A 20 -1.741 1.649 14.538 1.00 1.18 H new ATOM 289 N ALA A 21 -2.089 2.954 9.176 1.00 0.56 N ATOM 290 CA ALA A 21 -2.260 2.646 7.762 1.00 0.54 C ATOM 291 C ALA A 21 -1.388 3.550 6.887 1.00 0.42 C ATOM 292 O ALA A 21 -0.716 3.104 5.958 1.00 0.51 O ATOM 293 CB ALA A 21 -3.733 2.786 7.416 1.00 0.71 C ATOM 0 H ALA A 21 -2.969 3.104 9.670 1.00 0.56 H new ATOM 0 HA ALA A 21 -1.937 1.623 7.566 1.00 0.54 H new ATOM 0 HB1 ALA A 21 -3.882 2.559 6.360 1.00 0.71 H new ATOM 0 HB2 ALA A 21 -4.317 2.093 8.022 1.00 0.71 H new ATOM 0 HB3 ALA A 21 -4.059 3.807 7.617 1.00 0.71 H new ATOM 299 N ALA A 22 -1.384 4.836 7.232 1.00 0.31 N ATOM 300 CA ALA A 22 -0.535 5.833 6.611 1.00 0.26 C ATOM 301 C ALA A 22 0.934 5.414 6.687 1.00 0.28 C ATOM 302 O ALA A 22 1.618 5.427 5.667 1.00 0.27 O ATOM 303 CB ALA A 22 -0.770 7.182 7.294 1.00 0.30 C ATOM 0 H ALA A 22 -1.984 5.214 7.965 1.00 0.31 H new ATOM 0 HA ALA A 22 -0.788 5.925 5.555 1.00 0.26 H new ATOM 0 HB1 ALA A 22 -0.135 7.939 6.833 1.00 0.30 H new ATOM 0 HB2 ALA A 22 -1.816 7.469 7.183 1.00 0.30 H new ATOM 0 HB3 ALA A 22 -0.527 7.101 8.353 1.00 0.30 H new ATOM 309 N ARG A 23 1.426 5.043 7.876 1.00 0.35 N ATOM 310 CA ARG A 23 2.770 4.498 8.037 1.00 0.38 C ATOM 311 C ARG A 23 2.997 3.291 7.125 1.00 0.35 C ATOM 312 O ARG A 23 4.043 3.231 6.476 1.00 0.39 O ATOM 313 CB ARG A 23 3.069 4.161 9.509 1.00 0.51 C ATOM 314 CG ARG A 23 3.384 5.432 10.303 1.00 0.66 C ATOM 315 CD ARG A 23 4.864 5.808 10.144 1.00 1.28 C ATOM 316 NE ARG A 23 5.055 7.265 10.171 1.00 2.29 N ATOM 317 CZ ARG A 23 6.248 7.876 10.084 1.00 3.22 C ATOM 318 NH1 ARG A 23 7.369 7.147 10.085 1.00 3.50 N ATOM 319 NH2 ARG A 23 6.310 9.208 9.984 1.00 4.32 N ATOM 0 H ARG A 23 0.901 5.114 8.748 1.00 0.35 H new ATOM 0 HA ARG A 23 3.475 5.271 7.733 1.00 0.38 H new ATOM 0 HB2 ARG A 23 2.213 3.653 9.952 1.00 0.51 H new ATOM 0 HB3 ARG A 23 3.912 3.473 9.565 1.00 0.51 H new ATOM 0 HG2 ARG A 23 2.755 6.251 9.955 1.00 0.66 H new ATOM 0 HG3 ARG A 23 3.153 5.277 11.357 1.00 0.66 H new ATOM 0 HD2 ARG A 23 5.445 5.349 10.944 1.00 1.28 H new ATOM 0 HD3 ARG A 23 5.243 5.408 9.204 1.00 1.28 H new ATOM 0 HE ARG A 23 4.226 7.852 10.262 1.00 2.29 H new ATOM 0 HH11 ARG A 23 7.316 6.131 10.152 1.00 3.50 H new ATOM 0 HH12 ARG A 23 8.277 7.607 10.019 1.00 3.50 H new ATOM 0 HH21 ARG A 23 5.452 9.759 9.974 1.00 4.32 H new ATOM 0 HH22 ARG A 23 7.215 9.673 9.918 1.00 4.32 H new ATOM 333 N ILE A 24 2.039 2.356 7.057 1.00 0.32 N ATOM 334 CA ILE A 24 2.175 1.203 6.167 1.00 0.37 C ATOM 335 C ILE A 24 2.491 1.715 4.757 1.00 0.36 C ATOM 336 O ILE A 24 3.549 1.442 4.189 1.00 0.48 O ATOM 337 CB ILE A 24 0.921 0.297 6.113 1.00 0.40 C ATOM 338 CG1 ILE A 24 0.291 -0.034 7.467 1.00 0.47 C ATOM 339 CG2 ILE A 24 1.237 -1.016 5.399 1.00 0.76 C ATOM 340 CD1 ILE A 24 -1.026 -0.808 7.321 1.00 0.63 C ATOM 0 H ILE A 24 1.176 2.377 7.600 1.00 0.32 H new ATOM 0 HA ILE A 24 2.978 0.584 6.566 1.00 0.37 H new ATOM 0 HB ILE A 24 0.189 0.891 5.565 1.00 0.40 H new ATOM 0 HG12 ILE A 24 0.993 -0.623 8.058 1.00 0.47 H new ATOM 0 HG13 ILE A 24 0.108 0.890 8.016 1.00 0.47 H new ATOM 0 HG21 ILE A 24 0.343 -1.639 5.371 1.00 0.76 H new ATOM 0 HG22 ILE A 24 1.565 -0.807 4.381 1.00 0.76 H new ATOM 0 HG23 ILE A 24 2.028 -1.540 5.935 1.00 0.76 H new ATOM 0 HD11 ILE A 24 -1.435 -1.020 8.309 1.00 0.63 H new ATOM 0 HD12 ILE A 24 -1.739 -0.209 6.754 1.00 0.63 H new ATOM 0 HD13 ILE A 24 -0.841 -1.745 6.796 1.00 0.63 H new ATOM 352 N GLU A 25 1.579 2.503 4.192 1.00 0.26 N ATOM 353 CA GLU A 25 1.692 2.826 2.782 1.00 0.21 C ATOM 354 C GLU A 25 2.891 3.748 2.534 1.00 0.24 C ATOM 355 O GLU A 25 3.567 3.658 1.511 1.00 0.31 O ATOM 356 CB GLU A 25 0.392 3.456 2.281 1.00 0.22 C ATOM 357 CG GLU A 25 0.065 2.934 0.870 1.00 0.22 C ATOM 358 CD GLU A 25 -0.396 1.476 0.839 1.00 1.16 C ATOM 359 OE1 GLU A 25 -0.489 0.872 1.930 1.00 2.36 O ATOM 360 OE2 GLU A 25 -0.650 0.992 -0.283 1.00 2.26 O ATOM 0 H GLU A 25 0.780 2.915 4.674 1.00 0.26 H new ATOM 0 HA GLU A 25 1.861 1.907 2.221 1.00 0.21 H new ATOM 0 HB2 GLU A 25 -0.424 3.219 2.964 1.00 0.22 H new ATOM 0 HB3 GLU A 25 0.487 4.542 2.263 1.00 0.22 H new ATOM 0 HG2 GLU A 25 -0.713 3.560 0.433 1.00 0.22 H new ATOM 0 HG3 GLU A 25 0.949 3.039 0.241 1.00 0.22 H new ATOM 367 N LYS A 26 3.193 4.636 3.484 1.00 0.24 N ATOM 368 CA LYS A 26 4.402 5.435 3.447 1.00 0.25 C ATOM 369 C LYS A 26 5.648 4.552 3.356 1.00 0.24 C ATOM 370 O LYS A 26 6.597 4.898 2.656 1.00 0.26 O ATOM 371 CB LYS A 26 4.444 6.342 4.679 1.00 0.32 C ATOM 372 CG LYS A 26 3.618 7.619 4.470 1.00 0.37 C ATOM 373 CD LYS A 26 4.451 8.628 3.658 1.00 0.50 C ATOM 374 CE LYS A 26 3.689 9.918 3.319 1.00 0.66 C ATOM 375 NZ LYS A 26 3.325 10.705 4.516 1.00 1.39 N ATOM 0 H LYS A 26 2.602 4.815 4.296 1.00 0.24 H new ATOM 0 HA LYS A 26 4.393 6.057 2.552 1.00 0.25 H new ATOM 0 HB2 LYS A 26 4.063 5.799 5.544 1.00 0.32 H new ATOM 0 HB3 LYS A 26 5.478 6.609 4.900 1.00 0.32 H new ATOM 0 HG2 LYS A 26 2.692 7.386 3.945 1.00 0.37 H new ATOM 0 HG3 LYS A 26 3.339 8.049 5.432 1.00 0.37 H new ATOM 0 HD2 LYS A 26 5.349 8.883 4.221 1.00 0.50 H new ATOM 0 HD3 LYS A 26 4.779 8.155 2.732 1.00 0.50 H new ATOM 0 HE2 LYS A 26 4.302 10.533 2.659 1.00 0.66 H new ATOM 0 HE3 LYS A 26 2.783 9.664 2.768 1.00 0.66 H new ATOM 0 HZ1 LYS A 26 2.814 11.563 4.225 1.00 1.39 H new ATOM 0 HZ2 LYS A 26 2.717 10.133 5.136 1.00 1.39 H new ATOM 0 HZ3 LYS A 26 4.188 10.974 5.030 1.00 1.39 H new ATOM 389 N GLY A 27 5.646 3.400 4.027 1.00 0.26 N ATOM 390 CA GLY A 27 6.670 2.396 3.800 1.00 0.29 C ATOM 391 C GLY A 27 6.723 1.988 2.325 1.00 0.26 C ATOM 392 O GLY A 27 7.806 1.920 1.748 1.00 0.30 O ATOM 0 H GLY A 27 4.949 3.145 4.727 1.00 0.26 H new ATOM 0 HA2 GLY A 27 7.640 2.785 4.108 1.00 0.29 H new ATOM 0 HA3 GLY A 27 6.468 1.520 4.416 1.00 0.29 H new ATOM 396 N LEU A 28 5.584 1.754 1.668 1.00 0.26 N ATOM 397 CA LEU A 28 5.612 1.464 0.238 1.00 0.25 C ATOM 398 C LEU A 28 6.092 2.648 -0.587 1.00 0.22 C ATOM 399 O LEU A 28 6.733 2.434 -1.609 1.00 0.25 O ATOM 400 CB LEU A 28 4.261 1.006 -0.277 1.00 0.27 C ATOM 401 CG LEU A 28 3.859 -0.337 0.332 1.00 0.28 C ATOM 402 CD1 LEU A 28 2.424 -0.575 -0.122 1.00 0.33 C ATOM 403 CD2 LEU A 28 4.825 -1.477 -0.050 1.00 0.30 C ATOM 0 H LEU A 28 4.656 1.759 2.092 1.00 0.26 H new ATOM 0 HA LEU A 28 6.328 0.651 0.120 1.00 0.25 H new ATOM 0 HB2 LEU A 28 3.506 1.756 -0.040 1.00 0.27 H new ATOM 0 HB3 LEU A 28 4.294 0.920 -1.363 1.00 0.27 H new ATOM 0 HG LEU A 28 3.919 -0.318 1.420 1.00 0.28 H new ATOM 0 HD11 LEU A 28 2.068 -1.524 0.279 1.00 0.33 H new ATOM 0 HD12 LEU A 28 1.789 0.233 0.241 1.00 0.33 H new ATOM 0 HD13 LEU A 28 2.387 -0.604 -1.211 1.00 0.33 H new ATOM 0 HD21 LEU A 28 4.491 -2.407 0.410 1.00 0.30 H new ATOM 0 HD22 LEU A 28 4.840 -1.593 -1.134 1.00 0.30 H new ATOM 0 HD23 LEU A 28 5.828 -1.238 0.303 1.00 0.30 H new ATOM 415 N LYS A 29 5.847 3.886 -0.151 1.00 0.21 N ATOM 416 CA LYS A 29 6.458 5.045 -0.795 1.00 0.28 C ATOM 417 C LYS A 29 7.999 4.951 -0.815 1.00 0.31 C ATOM 418 O LYS A 29 8.639 5.636 -1.609 1.00 0.40 O ATOM 419 CB LYS A 29 5.875 6.371 -0.271 1.00 0.35 C ATOM 420 CG LYS A 29 6.672 7.582 -0.782 1.00 0.54 C ATOM 421 CD LYS A 29 5.884 8.896 -0.755 1.00 0.80 C ATOM 422 CE LYS A 29 4.790 8.885 -1.833 1.00 1.18 C ATOM 423 NZ LYS A 29 4.516 10.241 -2.363 1.00 1.44 N ATOM 0 H LYS A 29 5.237 4.108 0.636 1.00 0.21 H new ATOM 0 HA LYS A 29 6.182 5.037 -1.849 1.00 0.28 H new ATOM 0 HB2 LYS A 29 4.835 6.461 -0.585 1.00 0.35 H new ATOM 0 HB3 LYS A 29 5.880 6.365 0.819 1.00 0.35 H new ATOM 0 HG2 LYS A 29 7.571 7.696 -0.176 1.00 0.54 H new ATOM 0 HG3 LYS A 29 6.999 7.386 -1.803 1.00 0.54 H new ATOM 0 HD2 LYS A 29 5.434 9.038 0.228 1.00 0.80 H new ATOM 0 HD3 LYS A 29 6.559 9.736 -0.921 1.00 0.80 H new ATOM 0 HE2 LYS A 29 5.094 8.231 -2.651 1.00 1.18 H new ATOM 0 HE3 LYS A 29 3.874 8.468 -1.415 1.00 1.18 H new ATOM 0 HZ1 LYS A 29 3.526 10.298 -2.677 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.683 10.946 -1.617 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.146 10.433 -3.168 1.00 1.44 H new ATOM 437 N ARG A 30 8.618 4.110 0.021 1.00 0.28 N ATOM 438 CA ARG A 30 10.060 3.885 -0.032 1.00 0.34 C ATOM 439 C ARG A 30 10.452 2.762 -1.017 1.00 0.38 C ATOM 440 O ARG A 30 11.646 2.546 -1.215 1.00 0.55 O ATOM 441 CB ARG A 30 10.571 3.617 1.395 1.00 0.43 C ATOM 442 CG ARG A 30 10.865 4.952 2.092 1.00 0.87 C ATOM 443 CD ARG A 30 11.131 4.765 3.594 1.00 1.60 C ATOM 444 NE ARG A 30 12.564 4.830 3.930 1.00 2.90 N ATOM 445 CZ ARG A 30 13.257 5.968 4.102 1.00 2.98 C ATOM 446 NH1 ARG A 30 12.694 7.139 3.780 1.00 2.72 N ATOM 447 NH2 ARG A 30 14.499 5.935 4.598 1.00 4.38 N ATOM 0 H ARG A 30 8.137 3.574 0.744 1.00 0.28 H new ATOM 0 HA ARG A 30 10.542 4.781 -0.423 1.00 0.34 H new ATOM 0 HB2 ARG A 30 9.827 3.056 1.960 1.00 0.43 H new ATOM 0 HB3 ARG A 30 11.473 3.006 1.361 1.00 0.43 H new ATOM 0 HG2 ARG A 30 11.730 5.423 1.625 1.00 0.87 H new ATOM 0 HG3 ARG A 30 10.021 5.628 1.954 1.00 0.87 H new ATOM 0 HD2 ARG A 30 10.596 5.533 4.152 1.00 1.60 H new ATOM 0 HD3 ARG A 30 10.731 3.803 3.913 1.00 1.60 H new ATOM 0 HE ARG A 30 13.065 3.949 4.040 1.00 2.90 H new ATOM 0 HH11 ARG A 30 11.745 7.163 3.407 1.00 2.72 H new ATOM 0 HH12 ARG A 30 13.214 8.007 3.908 1.00 2.72 H new ATOM 0 HH21 ARG A 30 14.925 5.042 4.848 1.00 4.38 H new ATOM 0 HH22 ARG A 30 15.020 6.802 4.726 1.00 4.38 H new ATOM 461 N MET A 31 9.504 2.038 -1.634 1.00 0.27 N ATOM 462 CA MET A 31 9.818 0.973 -2.590 1.00 0.24 C ATOM 463 C MET A 31 10.087 1.533 -4.001 1.00 0.20 C ATOM 464 O MET A 31 9.356 2.405 -4.469 1.00 0.23 O ATOM 465 CB MET A 31 8.694 -0.077 -2.617 1.00 0.30 C ATOM 466 CG MET A 31 8.659 -0.893 -1.317 1.00 0.44 C ATOM 467 SD MET A 31 10.102 -1.957 -1.018 1.00 1.39 S ATOM 468 CE MET A 31 9.843 -3.243 -2.260 1.00 1.98 C ATOM 0 H MET A 31 8.505 2.176 -1.483 1.00 0.27 H new ATOM 0 HA MET A 31 10.735 0.488 -2.256 1.00 0.24 H new ATOM 0 HB2 MET A 31 7.734 0.419 -2.763 1.00 0.30 H new ATOM 0 HB3 MET A 31 8.840 -0.746 -3.465 1.00 0.30 H new ATOM 0 HG2 MET A 31 8.559 -0.203 -0.479 1.00 0.44 H new ATOM 0 HG3 MET A 31 7.765 -1.517 -1.325 1.00 0.44 H new ATOM 0 HE1 MET A 31 10.599 -4.019 -2.143 1.00 1.98 H new ATOM 0 HE2 MET A 31 8.853 -3.679 -2.131 1.00 1.98 H new ATOM 0 HE3 MET A 31 9.921 -2.808 -3.256 1.00 1.98 H new ATOM 478 N PRO A 32 11.125 1.042 -4.699 1.00 0.18 N ATOM 479 CA PRO A 32 11.561 1.583 -5.979 1.00 0.20 C ATOM 480 C PRO A 32 10.544 1.286 -7.082 1.00 0.22 C ATOM 481 O PRO A 32 10.555 0.178 -7.601 1.00 0.36 O ATOM 482 CB PRO A 32 12.899 0.884 -6.267 1.00 0.26 C ATOM 483 CG PRO A 32 12.761 -0.459 -5.549 1.00 0.26 C ATOM 484 CD PRO A 32 11.970 -0.075 -4.301 1.00 0.23 C ATOM 0 HA PRO A 32 11.661 2.668 -5.947 1.00 0.20 H new ATOM 0 HB2 PRO A 32 13.061 0.753 -7.337 1.00 0.26 H new ATOM 0 HB3 PRO A 32 13.743 1.459 -5.885 1.00 0.26 H new ATOM 0 HG2 PRO A 32 12.232 -1.194 -6.157 1.00 0.26 H new ATOM 0 HG3 PRO A 32 13.731 -0.890 -5.300 1.00 0.26 H new ATOM 0 HD2 PRO A 32 11.370 -0.912 -3.945 1.00 0.23 H new ATOM 0 HD3 PRO A 32 12.637 0.209 -3.487 1.00 0.23 H new ATOM 492 N GLY A 33 9.702 2.258 -7.454 1.00 0.17 N ATOM 493 CA GLY A 33 8.727 2.142 -8.539 1.00 0.15 C ATOM 494 C GLY A 33 7.384 2.750 -8.141 1.00 0.17 C ATOM 495 O GLY A 33 6.519 2.969 -8.987 1.00 0.20 O ATOM 0 H GLY A 33 9.682 3.169 -6.995 1.00 0.17 H new ATOM 0 HA2 GLY A 33 9.107 2.644 -9.429 1.00 0.15 H new ATOM 0 HA3 GLY A 33 8.591 1.092 -8.799 1.00 0.15 H new ATOM 499 N VAL A 34 7.200 3.033 -6.849 1.00 0.17 N ATOM 500 CA VAL A 34 6.081 3.810 -6.342 1.00 0.17 C ATOM 501 C VAL A 34 6.173 5.272 -6.792 1.00 0.19 C ATOM 502 O VAL A 34 7.265 5.796 -7.003 1.00 0.23 O ATOM 503 CB VAL A 34 6.089 3.684 -4.813 1.00 0.19 C ATOM 504 CG1 VAL A 34 7.243 4.505 -4.224 1.00 0.24 C ATOM 505 CG2 VAL A 34 4.742 4.078 -4.198 1.00 0.27 C ATOM 0 H VAL A 34 7.839 2.720 -6.118 1.00 0.17 H new ATOM 0 HA VAL A 34 5.140 3.430 -6.741 1.00 0.17 H new ATOM 0 HB VAL A 34 6.247 2.636 -4.560 1.00 0.19 H new ATOM 0 HG11 VAL A 34 7.240 4.409 -3.138 1.00 0.24 H new ATOM 0 HG12 VAL A 34 8.190 4.137 -4.619 1.00 0.24 H new ATOM 0 HG13 VAL A 34 7.120 5.553 -4.496 1.00 0.24 H new ATOM 0 HG21 VAL A 34 4.793 3.974 -3.114 1.00 0.27 H new ATOM 0 HG22 VAL A 34 4.514 5.113 -4.453 1.00 0.27 H new ATOM 0 HG23 VAL A 34 3.959 3.428 -4.589 1.00 0.27 H new ATOM 515 N THR A 35 5.021 5.937 -6.894 1.00 0.22 N ATOM 516 CA THR A 35 4.910 7.387 -7.029 1.00 0.27 C ATOM 517 C THR A 35 4.259 7.965 -5.771 1.00 0.26 C ATOM 518 O THR A 35 4.872 8.773 -5.070 1.00 0.32 O ATOM 519 CB THR A 35 4.133 7.771 -8.304 1.00 0.35 C ATOM 520 OG1 THR A 35 3.749 6.617 -9.019 1.00 0.40 O ATOM 521 CG2 THR A 35 4.985 8.638 -9.235 1.00 0.41 C ATOM 0 H THR A 35 4.116 5.467 -6.885 1.00 0.22 H new ATOM 0 HA THR A 35 5.907 7.815 -7.132 1.00 0.27 H new ATOM 0 HB THR A 35 3.254 8.330 -7.983 1.00 0.35 H new ATOM 0 HG1 THR A 35 4.549 6.127 -9.304 1.00 0.40 H new ATOM 0 HG21 THR A 35 4.409 8.892 -10.125 1.00 0.41 H new ATOM 0 HG22 THR A 35 5.274 9.552 -8.717 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.880 8.088 -9.527 1.00 0.41 H new ATOM 529 N ASP A 36 3.023 7.547 -5.471 1.00 0.23 N ATOM 530 CA ASP A 36 2.216 8.192 -4.440 1.00 0.26 C ATOM 531 C ASP A 36 1.282 7.216 -3.747 1.00 0.29 C ATOM 532 O ASP A 36 0.723 6.336 -4.389 1.00 0.51 O ATOM 533 CB ASP A 36 1.433 9.378 -5.021 1.00 0.36 C ATOM 534 CG ASP A 36 2.281 10.636 -5.034 1.00 1.59 C ATOM 535 OD1 ASP A 36 2.651 11.055 -3.912 1.00 2.09 O ATOM 536 OD2 ASP A 36 2.594 11.118 -6.140 1.00 3.14 O ATOM 0 H ASP A 36 2.563 6.762 -5.932 1.00 0.23 H new ATOM 0 HA ASP A 36 2.905 8.568 -3.684 1.00 0.26 H new ATOM 0 HB2 ASP A 36 1.109 9.143 -6.035 1.00 0.36 H new ATOM 0 HB3 ASP A 36 0.533 9.548 -4.431 1.00 0.36 H new ATOM 541 N ALA A 37 1.124 7.388 -2.432 1.00 0.21 N ATOM 542 CA ALA A 37 0.277 6.587 -1.567 1.00 0.26 C ATOM 543 C ALA A 37 -0.804 7.488 -0.972 1.00 0.36 C ATOM 544 O ALA A 37 -0.494 8.604 -0.558 1.00 0.60 O ATOM 545 CB ALA A 37 1.148 5.993 -0.461 1.00 0.43 C ATOM 0 H ALA A 37 1.610 8.127 -1.924 1.00 0.21 H new ATOM 0 HA ALA A 37 -0.201 5.780 -2.122 1.00 0.26 H new ATOM 0 HB1 ALA A 37 0.531 5.386 0.202 1.00 0.43 H new ATOM 0 HB2 ALA A 37 1.925 5.370 -0.905 1.00 0.43 H new ATOM 0 HB3 ALA A 37 1.610 6.798 0.110 1.00 0.43 H new ATOM 551 N ASN A 38 -2.054 7.018 -0.929 1.00 0.26 N ATOM 552 CA ASN A 38 -3.206 7.772 -0.446 1.00 0.33 C ATOM 553 C ASN A 38 -4.121 6.820 0.322 1.00 0.27 C ATOM 554 O ASN A 38 -4.749 5.945 -0.270 1.00 0.27 O ATOM 555 CB ASN A 38 -3.954 8.417 -1.620 1.00 0.43 C ATOM 556 CG ASN A 38 -3.265 9.692 -2.099 1.00 0.76 C ATOM 557 OD1 ASN A 38 -3.454 10.754 -1.516 1.00 1.36 O ATOM 558 ND2 ASN A 38 -2.468 9.609 -3.161 1.00 1.25 N ATOM 0 H ASN A 38 -2.295 6.076 -1.238 1.00 0.26 H new ATOM 0 HA ASN A 38 -2.875 8.573 0.215 1.00 0.33 H new ATOM 0 HB2 ASN A 38 -4.018 7.707 -2.444 1.00 0.43 H new ATOM 0 HB3 ASN A 38 -4.976 8.647 -1.318 1.00 0.43 H new ATOM 0 HD21 ASN A 38 -1.995 10.443 -3.510 1.00 1.25 H new ATOM 0 HD22 ASN A 38 -2.330 8.712 -3.626 1.00 1.25 H new ATOM 565 N VAL A 39 -4.171 6.972 1.646 1.00 0.28 N ATOM 566 CA VAL A 39 -4.924 6.096 2.533 1.00 0.29 C ATOM 567 C VAL A 39 -6.358 6.592 2.738 1.00 0.28 C ATOM 568 O VAL A 39 -6.589 7.797 2.805 1.00 0.36 O ATOM 569 CB VAL A 39 -4.125 5.908 3.830 1.00 0.46 C ATOM 570 CG1 VAL A 39 -4.086 7.161 4.713 1.00 0.60 C ATOM 571 CG2 VAL A 39 -4.661 4.729 4.638 1.00 0.61 C ATOM 0 H VAL A 39 -3.680 7.720 2.136 1.00 0.28 H new ATOM 0 HA VAL A 39 -5.048 5.112 2.080 1.00 0.29 H new ATOM 0 HB VAL A 39 -3.101 5.706 3.515 1.00 0.46 H new ATOM 0 HG11 VAL A 39 -3.505 6.955 5.612 1.00 0.60 H new ATOM 0 HG12 VAL A 39 -3.624 7.980 4.162 1.00 0.60 H new ATOM 0 HG13 VAL A 39 -5.102 7.440 4.994 1.00 0.60 H new ATOM 0 HG21 VAL A 39 -4.077 4.618 5.552 1.00 0.61 H new ATOM 0 HG22 VAL A 39 -5.705 4.908 4.894 1.00 0.61 H new ATOM 0 HG23 VAL A 39 -4.584 3.817 4.046 1.00 0.61 H new ATOM 581 N ASN A 40 -7.316 5.660 2.822 1.00 0.28 N ATOM 582 CA ASN A 40 -8.744 5.926 2.922 1.00 0.31 C ATOM 583 C ASN A 40 -9.403 5.003 3.947 1.00 0.30 C ATOM 584 O ASN A 40 -10.212 4.132 3.615 1.00 0.27 O ATOM 585 CB ASN A 40 -9.402 5.786 1.543 1.00 0.30 C ATOM 586 CG ASN A 40 -10.785 6.431 1.529 1.00 0.81 C ATOM 587 OD1 ASN A 40 -11.131 7.201 2.420 1.00 0.98 O ATOM 588 ND2 ASN A 40 -11.603 6.107 0.534 1.00 1.22 N ATOM 0 H ASN A 40 -7.102 4.663 2.822 1.00 0.28 H new ATOM 0 HA ASN A 40 -8.885 6.950 3.268 1.00 0.31 H new ATOM 0 HB2 ASN A 40 -8.771 6.253 0.786 1.00 0.30 H new ATOM 0 HB3 ASN A 40 -9.486 4.731 1.282 1.00 0.30 H new ATOM 0 HD21 ASN A 40 -12.543 6.501 0.498 1.00 1.22 H new ATOM 0 HD22 ASN A 40 -11.291 5.465 -0.194 1.00 1.22 H new ATOM 595 N LEU A 41 -9.079 5.218 5.223 1.00 0.37 N ATOM 596 CA LEU A 41 -9.663 4.444 6.312 1.00 0.41 C ATOM 597 C LEU A 41 -11.154 4.697 6.487 1.00 0.43 C ATOM 598 O LEU A 41 -11.827 3.882 7.104 1.00 0.44 O ATOM 599 CB LEU A 41 -8.937 4.708 7.629 1.00 0.54 C ATOM 600 CG LEU A 41 -7.461 4.309 7.573 1.00 0.58 C ATOM 601 CD1 LEU A 41 -6.898 4.356 8.993 1.00 0.75 C ATOM 602 CD2 LEU A 41 -7.276 2.899 7.003 1.00 0.54 C ATOM 0 H LEU A 41 -8.411 5.927 5.526 1.00 0.37 H new ATOM 0 HA LEU A 41 -9.539 3.397 6.034 1.00 0.41 H new ATOM 0 HB2 LEU A 41 -9.015 5.766 7.878 1.00 0.54 H new ATOM 0 HB3 LEU A 41 -9.430 4.155 8.429 1.00 0.54 H new ATOM 0 HG LEU A 41 -6.936 5.003 6.917 1.00 0.58 H new ATOM 0 HD11 LEU A 41 -5.845 4.075 8.976 1.00 0.75 H new ATOM 0 HD12 LEU A 41 -6.997 5.366 9.391 1.00 0.75 H new ATOM 0 HD13 LEU A 41 -7.449 3.661 9.626 1.00 0.75 H new ATOM 0 HD21 LEU A 41 -6.215 2.652 6.979 1.00 0.54 H new ATOM 0 HD22 LEU A 41 -7.802 2.180 7.632 1.00 0.54 H new ATOM 0 HD23 LEU A 41 -7.680 2.860 5.991 1.00 0.54 H new ATOM 614 N ALA A 42 -11.684 5.765 5.883 1.00 0.45 N ATOM 615 CA ALA A 42 -13.125 5.960 5.760 1.00 0.48 C ATOM 616 C ALA A 42 -13.781 4.794 5.010 1.00 0.43 C ATOM 617 O ALA A 42 -15.006 4.701 4.958 1.00 0.53 O ATOM 618 CB ALA A 42 -13.406 7.271 5.022 1.00 0.53 C ATOM 0 H ALA A 42 -11.127 6.512 5.469 1.00 0.45 H new ATOM 0 HA ALA A 42 -13.550 6.002 6.763 1.00 0.48 H new ATOM 0 HB1 ALA A 42 -14.483 7.414 4.932 1.00 0.53 H new ATOM 0 HB2 ALA A 42 -12.975 8.102 5.580 1.00 0.53 H new ATOM 0 HB3 ALA A 42 -12.960 7.232 4.028 1.00 0.53 H new ATOM 624 N THR A 43 -12.975 3.954 4.359 1.00 0.40 N ATOM 625 CA THR A 43 -13.425 2.782 3.640 1.00 0.38 C ATOM 626 C THR A 43 -12.466 1.612 3.911 1.00 0.32 C ATOM 627 O THR A 43 -12.434 0.665 3.132 1.00 0.30 O ATOM 628 CB THR A 43 -13.500 3.203 2.159 1.00 0.40 C ATOM 629 OG1 THR A 43 -14.225 4.417 2.061 1.00 0.51 O ATOM 630 CG2 THR A 43 -14.181 2.193 1.242 1.00 0.42 C ATOM 0 H THR A 43 -11.964 4.082 4.322 1.00 0.40 H new ATOM 0 HA THR A 43 -14.405 2.426 3.958 1.00 0.38 H new ATOM 0 HB THR A 43 -12.465 3.293 1.829 1.00 0.40 H new ATOM 0 HG1 THR A 43 -14.276 4.693 1.122 1.00 0.51 H new ATOM 0 HG21 THR A 43 -14.187 2.575 0.221 1.00 0.42 H new ATOM 0 HG22 THR A 43 -13.637 1.249 1.273 1.00 0.42 H new ATOM 0 HG23 THR A 43 -15.206 2.032 1.575 1.00 0.42 H new ATOM 638 N GLU A 44 -11.649 1.669 4.976 1.00 0.33 N ATOM 639 CA GLU A 44 -10.694 0.618 5.319 1.00 0.35 C ATOM 640 C GLU A 44 -9.798 0.241 4.127 1.00 0.28 C ATOM 641 O GLU A 44 -9.364 -0.906 4.009 1.00 0.36 O ATOM 642 CB GLU A 44 -11.452 -0.595 5.883 1.00 0.48 C ATOM 643 CG GLU A 44 -12.235 -0.261 7.161 1.00 0.62 C ATOM 644 CD GLU A 44 -13.656 0.198 6.860 1.00 1.73 C ATOM 645 OE1 GLU A 44 -14.519 -0.696 6.741 1.00 2.30 O ATOM 646 OE2 GLU A 44 -13.853 1.426 6.739 1.00 3.14 O ATOM 0 H GLU A 44 -11.638 2.456 5.625 1.00 0.33 H new ATOM 0 HA GLU A 44 -10.019 0.994 6.088 1.00 0.35 H new ATOM 0 HB2 GLU A 44 -12.141 -0.971 5.127 1.00 0.48 H new ATOM 0 HB3 GLU A 44 -10.743 -1.395 6.095 1.00 0.48 H new ATOM 0 HG2 GLU A 44 -12.267 -1.139 7.806 1.00 0.62 H new ATOM 0 HG3 GLU A 44 -11.712 0.520 7.712 1.00 0.62 H new ATOM 653 N THR A 45 -9.522 1.208 3.248 1.00 0.26 N ATOM 654 CA THR A 45 -8.919 0.977 1.947 1.00 0.27 C ATOM 655 C THR A 45 -7.745 1.922 1.799 1.00 0.22 C ATOM 656 O THR A 45 -7.708 2.985 2.420 1.00 0.21 O ATOM 657 CB THR A 45 -9.986 1.163 0.849 1.00 0.31 C ATOM 658 OG1 THR A 45 -10.926 0.117 0.945 1.00 0.51 O ATOM 659 CG2 THR A 45 -9.457 1.133 -0.589 1.00 0.29 C ATOM 0 H THR A 45 -9.718 2.192 3.432 1.00 0.26 H new ATOM 0 HA THR A 45 -8.545 -0.042 1.850 1.00 0.27 H new ATOM 0 HB THR A 45 -10.402 2.155 1.027 1.00 0.31 H new ATOM 0 HG1 THR A 45 -11.579 0.327 1.645 1.00 0.51 H new ATOM 0 HG21 THR A 45 -10.285 1.272 -1.284 1.00 0.29 H new ATOM 0 HG22 THR A 45 -8.730 1.933 -0.726 1.00 0.29 H new ATOM 0 HG23 THR A 45 -8.980 0.172 -0.781 1.00 0.29 H new ATOM 667 N VAL A 46 -6.772 1.528 0.987 1.00 0.25 N ATOM 668 CA VAL A 46 -5.651 2.371 0.635 1.00 0.22 C ATOM 669 C VAL A 46 -5.408 2.263 -0.859 1.00 0.20 C ATOM 670 O VAL A 46 -5.630 1.204 -1.449 1.00 0.23 O ATOM 671 CB VAL A 46 -4.447 1.979 1.493 1.00 0.31 C ATOM 672 CG1 VAL A 46 -4.011 0.524 1.272 1.00 0.45 C ATOM 673 CG2 VAL A 46 -3.242 2.881 1.226 1.00 0.27 C ATOM 0 H VAL A 46 -6.744 0.605 0.554 1.00 0.25 H new ATOM 0 HA VAL A 46 -5.850 3.422 0.843 1.00 0.22 H new ATOM 0 HB VAL A 46 -4.781 2.098 2.524 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.153 0.301 1.906 1.00 0.45 H new ATOM 0 HG12 VAL A 46 -4.833 -0.145 1.526 1.00 0.45 H new ATOM 0 HG13 VAL A 46 -3.736 0.381 0.227 1.00 0.45 H new ATOM 0 HG21 VAL A 46 -2.408 2.570 1.855 1.00 0.27 H new ATOM 0 HG22 VAL A 46 -2.955 2.803 0.177 1.00 0.27 H new ATOM 0 HG23 VAL A 46 -3.503 3.914 1.455 1.00 0.27 H new ATOM 683 N ASN A 47 -5.004 3.386 -1.456 1.00 0.19 N ATOM 684 CA ASN A 47 -4.650 3.495 -2.855 1.00 0.21 C ATOM 685 C ASN A 47 -3.160 3.777 -2.943 1.00 0.18 C ATOM 686 O ASN A 47 -2.652 4.586 -2.167 1.00 0.23 O ATOM 687 CB ASN A 47 -5.462 4.618 -3.509 1.00 0.35 C ATOM 688 CG ASN A 47 -5.197 4.739 -5.010 1.00 1.09 C ATOM 689 OD1 ASN A 47 -6.010 4.315 -5.821 1.00 2.46 O ATOM 690 ND2 ASN A 47 -4.080 5.350 -5.404 1.00 0.83 N ATOM 0 H ASN A 47 -4.914 4.269 -0.954 1.00 0.19 H new ATOM 0 HA ASN A 47 -4.877 2.569 -3.384 1.00 0.21 H new ATOM 0 HB2 ASN A 47 -6.524 4.436 -3.345 1.00 0.35 H new ATOM 0 HB3 ASN A 47 -5.222 5.564 -3.024 1.00 0.35 H new ATOM 0 HD21 ASN A 47 -3.889 5.472 -6.399 1.00 0.83 H new ATOM 0 HD22 ASN A 47 -3.416 5.696 -4.711 1.00 0.83 H new ATOM 697 N VAL A 48 -2.467 3.166 -3.901 1.00 0.21 N ATOM 698 CA VAL A 48 -1.081 3.498 -4.179 1.00 0.21 C ATOM 699 C VAL A 48 -0.842 3.440 -5.686 1.00 0.19 C ATOM 700 O VAL A 48 -1.416 2.610 -6.388 1.00 0.20 O ATOM 701 CB VAL A 48 -0.117 2.661 -3.313 1.00 0.21 C ATOM 702 CG1 VAL A 48 -0.268 1.154 -3.529 1.00 0.24 C ATOM 703 CG2 VAL A 48 1.348 3.051 -3.539 1.00 0.25 C ATOM 0 H VAL A 48 -2.850 2.434 -4.499 1.00 0.21 H new ATOM 0 HA VAL A 48 -0.862 4.524 -3.882 1.00 0.21 H new ATOM 0 HB VAL A 48 -0.398 2.888 -2.285 1.00 0.21 H new ATOM 0 HG11 VAL A 48 0.438 0.622 -2.891 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -1.284 0.850 -3.278 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -0.065 0.914 -4.573 1.00 0.24 H new ATOM 0 HG21 VAL A 48 1.990 2.436 -2.908 1.00 0.25 H new ATOM 0 HG22 VAL A 48 1.609 2.894 -4.586 1.00 0.25 H new ATOM 0 HG23 VAL A 48 1.488 4.101 -3.284 1.00 0.25 H new ATOM 713 N ILE A 49 -0.044 4.382 -6.180 1.00 0.21 N ATOM 714 CA ILE A 49 0.316 4.547 -7.572 1.00 0.21 C ATOM 715 C ILE A 49 1.747 4.045 -7.712 1.00 0.22 C ATOM 716 O ILE A 49 2.617 4.468 -6.945 1.00 0.35 O ATOM 717 CB ILE A 49 0.178 6.024 -7.991 1.00 0.24 C ATOM 718 CG1 ILE A 49 -1.212 6.563 -7.599 1.00 0.30 C ATOM 719 CG2 ILE A 49 0.410 6.157 -9.505 1.00 0.32 C ATOM 720 CD1 ILE A 49 -1.443 8.007 -8.049 1.00 0.92 C ATOM 0 H ILE A 49 0.389 5.086 -5.582 1.00 0.21 H new ATOM 0 HA ILE A 49 -0.345 3.982 -8.229 1.00 0.21 H new ATOM 0 HB ILE A 49 0.929 6.617 -7.470 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -1.980 5.925 -8.037 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -1.327 6.503 -6.517 1.00 0.30 H new ATOM 0 HG21 ILE A 49 0.312 7.202 -9.798 1.00 0.32 H new ATOM 0 HG22 ILE A 49 1.411 5.804 -9.752 1.00 0.32 H new ATOM 0 HG23 ILE A 49 -0.328 5.559 -10.040 1.00 0.32 H new ATOM 0 HD11 ILE A 49 -2.439 8.328 -7.744 1.00 0.92 H new ATOM 0 HD12 ILE A 49 -0.696 8.655 -7.590 1.00 0.92 H new ATOM 0 HD13 ILE A 49 -1.359 8.068 -9.134 1.00 0.92 H new ATOM 732 N TYR A 50 1.986 3.134 -8.656 1.00 0.16 N ATOM 733 CA TYR A 50 3.305 2.570 -8.895 1.00 0.15 C ATOM 734 C TYR A 50 3.434 2.141 -10.346 1.00 0.15 C ATOM 735 O TYR A 50 2.439 2.115 -11.077 1.00 0.16 O ATOM 736 CB TYR A 50 3.562 1.369 -7.973 1.00 0.17 C ATOM 737 CG TYR A 50 2.451 0.330 -7.965 1.00 0.20 C ATOM 738 CD1 TYR A 50 2.160 -0.433 -9.115 1.00 1.86 C ATOM 739 CD2 TYR A 50 1.722 0.102 -6.787 1.00 1.77 C ATOM 740 CE1 TYR A 50 1.142 -1.401 -9.087 1.00 1.88 C ATOM 741 CE2 TYR A 50 0.773 -0.931 -6.735 1.00 1.76 C ATOM 742 CZ TYR A 50 0.474 -1.678 -7.886 1.00 0.31 C ATOM 743 OH TYR A 50 -0.342 -2.767 -7.802 1.00 0.42 O ATOM 0 H TYR A 50 1.264 2.768 -9.276 1.00 0.16 H new ATOM 0 HA TYR A 50 4.048 3.338 -8.679 1.00 0.15 H new ATOM 0 HB2 TYR A 50 4.491 0.886 -8.276 1.00 0.17 H new ATOM 0 HB3 TYR A 50 3.709 1.733 -6.956 1.00 0.17 H new ATOM 0 HD1 TYR A 50 2.723 -0.272 -10.022 1.00 1.86 H new ATOM 0 HD2 TYR A 50 1.892 0.722 -5.919 1.00 1.77 H new ATOM 0 HE1 TYR A 50 0.875 -1.931 -9.989 1.00 1.88 H new ATOM 0 HE2 TYR A 50 0.270 -1.152 -5.805 1.00 1.76 H new ATOM 0 HH TYR A 50 -0.728 -2.818 -6.903 1.00 0.42 H new ATOM 753 N ASP A 51 4.656 1.764 -10.735 1.00 0.19 N ATOM 754 CA ASP A 51 4.963 1.374 -12.095 1.00 0.19 C ATOM 755 C ASP A 51 5.273 -0.124 -12.185 1.00 0.21 C ATOM 756 O ASP A 51 6.236 -0.566 -11.557 1.00 0.21 O ATOM 757 CB ASP A 51 6.142 2.216 -12.565 1.00 0.26 C ATOM 758 CG ASP A 51 6.249 2.111 -14.078 1.00 0.42 C ATOM 759 OD1 ASP A 51 6.399 0.961 -14.545 1.00 1.82 O ATOM 760 OD2 ASP A 51 6.093 3.160 -14.740 1.00 2.09 O ATOM 0 H ASP A 51 5.457 1.724 -10.105 1.00 0.19 H new ATOM 0 HA ASP A 51 4.102 1.549 -12.740 1.00 0.19 H new ATOM 0 HB2 ASP A 51 6.005 3.256 -12.268 1.00 0.26 H new ATOM 0 HB3 ASP A 51 7.063 1.869 -12.097 1.00 0.26 H new ATOM 765 N PRO A 52 4.522 -0.918 -12.974 1.00 0.31 N ATOM 766 CA PRO A 52 4.717 -2.360 -13.107 1.00 0.41 C ATOM 767 C PRO A 52 5.973 -2.741 -13.899 1.00 0.45 C ATOM 768 O PRO A 52 6.082 -3.880 -14.351 1.00 0.64 O ATOM 769 CB PRO A 52 3.433 -2.868 -13.771 1.00 0.51 C ATOM 770 CG PRO A 52 3.042 -1.698 -14.670 1.00 0.49 C ATOM 771 CD PRO A 52 3.430 -0.482 -13.830 1.00 0.36 C ATOM 0 HA PRO A 52 4.889 -2.821 -12.134 1.00 0.41 H new ATOM 0 HB2 PRO A 52 3.605 -3.780 -14.343 1.00 0.51 H new ATOM 0 HB3 PRO A 52 2.658 -3.093 -13.038 1.00 0.51 H new ATOM 0 HG2 PRO A 52 3.577 -1.721 -15.620 1.00 0.49 H new ATOM 0 HG3 PRO A 52 1.977 -1.705 -14.904 1.00 0.49 H new ATOM 0 HD2 PRO A 52 3.740 0.348 -14.465 1.00 0.36 H new ATOM 0 HD3 PRO A 52 2.585 -0.132 -13.237 1.00 0.36 H new ATOM 779 N ALA A 53 6.938 -1.830 -14.039 1.00 0.36 N ATOM 780 CA ALA A 53 8.253 -2.146 -14.572 1.00 0.46 C ATOM 781 C ALA A 53 9.090 -2.693 -13.418 1.00 0.37 C ATOM 782 O ALA A 53 9.660 -3.779 -13.510 1.00 0.45 O ATOM 783 CB ALA A 53 8.867 -0.892 -15.199 1.00 0.54 C ATOM 0 H ALA A 53 6.823 -0.849 -13.783 1.00 0.36 H new ATOM 0 HA ALA A 53 8.204 -2.897 -15.361 1.00 0.46 H new ATOM 0 HB1 ALA A 53 9.853 -1.130 -15.598 1.00 0.54 H new ATOM 0 HB2 ALA A 53 8.225 -0.537 -16.005 1.00 0.54 H new ATOM 0 HB3 ALA A 53 8.961 -0.115 -14.441 1.00 0.54 H new ATOM 789 N GLU A 54 9.102 -1.948 -12.313 1.00 0.26 N ATOM 790 CA GLU A 54 9.772 -2.302 -11.075 1.00 0.25 C ATOM 791 C GLU A 54 8.804 -2.954 -10.082 1.00 0.24 C ATOM 792 O GLU A 54 9.178 -3.848 -9.324 1.00 0.38 O ATOM 793 CB GLU A 54 10.313 -1.013 -10.452 1.00 0.34 C ATOM 794 CG GLU A 54 11.452 -0.369 -11.255 1.00 0.47 C ATOM 795 CD GLU A 54 10.951 0.359 -12.494 1.00 2.15 C ATOM 796 OE1 GLU A 54 9.959 1.103 -12.343 1.00 3.55 O ATOM 797 OE2 GLU A 54 11.553 0.142 -13.568 1.00 3.10 O ATOM 0 H GLU A 54 8.625 -1.048 -12.260 1.00 0.26 H new ATOM 0 HA GLU A 54 10.569 -3.013 -11.293 1.00 0.25 H new ATOM 0 HB2 GLU A 54 9.497 -0.296 -10.357 1.00 0.34 H new ATOM 0 HB3 GLU A 54 10.668 -1.228 -9.444 1.00 0.34 H new ATOM 0 HG2 GLU A 54 11.990 0.333 -10.618 1.00 0.47 H new ATOM 0 HG3 GLU A 54 12.163 -1.139 -11.553 1.00 0.47 H new ATOM 804 N THR A 55 7.582 -2.427 -10.022 1.00 0.22 N ATOM 805 CA THR A 55 6.681 -2.500 -8.884 1.00 0.22 C ATOM 806 C THR A 55 5.241 -2.905 -9.147 1.00 0.33 C ATOM 807 O THR A 55 4.519 -2.259 -9.898 1.00 0.54 O ATOM 808 CB THR A 55 6.723 -1.170 -8.161 1.00 0.36 C ATOM 809 OG1 THR A 55 8.053 -0.921 -7.784 1.00 0.52 O ATOM 810 CG2 THR A 55 5.961 -1.183 -6.852 1.00 0.44 C ATOM 0 H THR A 55 7.179 -1.914 -10.806 1.00 0.22 H new ATOM 0 HA THR A 55 7.057 -3.329 -8.284 1.00 0.22 H new ATOM 0 HB THR A 55 6.292 -0.435 -8.840 1.00 0.36 H new ATOM 0 HG1 THR A 55 8.078 -0.180 -7.144 1.00 0.52 H new ATOM 0 HG21 THR A 55 6.029 -0.202 -6.382 1.00 0.44 H new ATOM 0 HG22 THR A 55 4.915 -1.423 -7.042 1.00 0.44 H new ATOM 0 HG23 THR A 55 6.390 -1.934 -6.188 1.00 0.44 H new ATOM 818 N GLY A 56 4.776 -3.880 -8.367 1.00 0.32 N ATOM 819 CA GLY A 56 3.366 -4.068 -8.139 1.00 0.50 C ATOM 820 C GLY A 56 3.143 -4.797 -6.820 1.00 0.29 C ATOM 821 O GLY A 56 4.080 -5.046 -6.056 1.00 0.20 O ATOM 0 H GLY A 56 5.372 -4.552 -7.883 1.00 0.32 H new ATOM 0 HA2 GLY A 56 2.861 -3.102 -8.120 1.00 0.50 H new ATOM 0 HA3 GLY A 56 2.930 -4.640 -8.958 1.00 0.50 H new ATOM 825 N THR A 57 1.879 -5.158 -6.613 1.00 0.27 N ATOM 826 CA THR A 57 1.342 -6.041 -5.587 1.00 0.24 C ATOM 827 C THR A 57 2.323 -7.122 -5.123 1.00 0.21 C ATOM 828 O THR A 57 2.472 -7.315 -3.920 1.00 0.24 O ATOM 829 CB THR A 57 -0.078 -6.518 -5.977 1.00 0.31 C ATOM 830 OG1 THR A 57 -0.342 -7.801 -5.453 1.00 0.63 O ATOM 831 CG2 THR A 57 -0.299 -6.712 -7.481 1.00 0.41 C ATOM 0 H THR A 57 1.137 -4.805 -7.218 1.00 0.27 H new ATOM 0 HA THR A 57 1.213 -5.468 -4.669 1.00 0.24 H new ATOM 0 HB THR A 57 -0.716 -5.725 -5.587 1.00 0.31 H new ATOM 0 HG1 THR A 57 -0.602 -7.723 -4.512 1.00 0.63 H new ATOM 0 HG21 THR A 57 -1.321 -7.047 -7.658 1.00 0.41 H new ATOM 0 HG22 THR A 57 -0.132 -5.767 -7.998 1.00 0.41 H new ATOM 0 HG23 THR A 57 0.398 -7.460 -7.858 1.00 0.41 H new ATOM 839 N ALA A 58 3.048 -7.769 -6.037 1.00 0.24 N ATOM 840 CA ALA A 58 4.078 -8.739 -5.681 1.00 0.27 C ATOM 841 C ALA A 58 5.068 -8.196 -4.641 1.00 0.22 C ATOM 842 O ALA A 58 5.289 -8.818 -3.605 1.00 0.27 O ATOM 843 CB ALA A 58 4.826 -9.175 -6.944 1.00 0.34 C ATOM 0 H ALA A 58 2.936 -7.634 -7.042 1.00 0.24 H new ATOM 0 HA ALA A 58 3.580 -9.594 -5.225 1.00 0.27 H new ATOM 0 HB1 ALA A 58 5.596 -9.900 -6.679 1.00 0.34 H new ATOM 0 HB2 ALA A 58 4.125 -9.630 -7.643 1.00 0.34 H new ATOM 0 HB3 ALA A 58 5.291 -8.306 -7.410 1.00 0.34 H new ATOM 849 N ALA A 59 5.698 -7.052 -4.931 1.00 0.18 N ATOM 850 CA ALA A 59 6.708 -6.483 -4.045 1.00 0.15 C ATOM 851 C ALA A 59 6.019 -5.903 -2.817 1.00 0.15 C ATOM 852 O ALA A 59 6.535 -5.918 -1.698 1.00 0.17 O ATOM 853 CB ALA A 59 7.515 -5.415 -4.791 1.00 0.17 C ATOM 0 H ALA A 59 5.523 -6.505 -5.774 1.00 0.18 H new ATOM 0 HA ALA A 59 7.404 -7.257 -3.721 1.00 0.15 H new ATOM 0 HB1 ALA A 59 8.267 -4.995 -4.123 1.00 0.17 H new ATOM 0 HB2 ALA A 59 8.007 -5.866 -5.653 1.00 0.17 H new ATOM 0 HB3 ALA A 59 6.846 -4.623 -5.128 1.00 0.17 H new ATOM 859 N ILE A 60 4.842 -5.341 -3.076 1.00 0.16 N ATOM 860 CA ILE A 60 4.084 -4.598 -2.110 1.00 0.15 C ATOM 861 C ILE A 60 3.623 -5.514 -0.978 1.00 0.15 C ATOM 862 O ILE A 60 3.993 -5.252 0.159 1.00 0.19 O ATOM 863 CB ILE A 60 3.029 -3.773 -2.872 1.00 0.19 C ATOM 864 CG1 ILE A 60 3.608 -2.371 -3.080 1.00 0.27 C ATOM 865 CG2 ILE A 60 1.662 -3.689 -2.195 1.00 0.23 C ATOM 866 CD1 ILE A 60 3.030 -1.646 -4.294 1.00 0.55 C ATOM 0 H ILE A 60 4.390 -5.399 -3.989 1.00 0.16 H new ATOM 0 HA ILE A 60 4.668 -3.856 -1.566 1.00 0.15 H new ATOM 0 HB ILE A 60 2.832 -4.284 -3.814 1.00 0.19 H new ATOM 0 HG12 ILE A 60 3.422 -1.774 -2.188 1.00 0.27 H new ATOM 0 HG13 ILE A 60 4.690 -2.446 -3.193 1.00 0.27 H new ATOM 0 HG21 ILE A 60 0.989 -3.088 -2.807 1.00 0.23 H new ATOM 0 HG22 ILE A 60 1.250 -4.692 -2.081 1.00 0.23 H new ATOM 0 HG23 ILE A 60 1.770 -3.227 -1.214 1.00 0.23 H new ATOM 0 HD11 ILE A 60 3.486 -0.659 -4.380 1.00 0.55 H new ATOM 0 HD12 ILE A 60 3.239 -2.222 -5.195 1.00 0.55 H new ATOM 0 HD13 ILE A 60 1.952 -1.539 -4.174 1.00 0.55 H new ATOM 878 N GLN A 61 2.897 -6.605 -1.249 1.00 0.16 N ATOM 879 CA GLN A 61 2.484 -7.542 -0.203 1.00 0.18 C ATOM 880 C GLN A 61 3.673 -7.945 0.669 1.00 0.18 C ATOM 881 O GLN A 61 3.591 -7.870 1.891 1.00 0.19 O ATOM 882 CB GLN A 61 1.838 -8.807 -0.785 1.00 0.25 C ATOM 883 CG GLN A 61 0.308 -8.778 -0.833 1.00 0.33 C ATOM 884 CD GLN A 61 -0.249 -8.026 -2.028 1.00 0.40 C ATOM 885 OE1 GLN A 61 -0.841 -8.613 -2.922 1.00 0.74 O ATOM 886 NE2 GLN A 61 -0.081 -6.714 -2.056 1.00 0.41 N ATOM 0 H GLN A 61 2.584 -6.859 -2.186 1.00 0.16 H new ATOM 0 HA GLN A 61 1.742 -7.023 0.404 1.00 0.18 H new ATOM 0 HB2 GLN A 61 2.217 -8.961 -1.795 1.00 0.25 H new ATOM 0 HB3 GLN A 61 2.153 -9.666 -0.192 1.00 0.25 H new ATOM 0 HG2 GLN A 61 -0.066 -9.802 -0.852 1.00 0.33 H new ATOM 0 HG3 GLN A 61 -0.067 -8.319 0.082 1.00 0.33 H new ATOM 0 HE21 GLN A 61 0.417 -6.247 -1.298 1.00 0.41 H new ATOM 0 HE22 GLN A 61 -0.449 -6.169 -2.836 1.00 0.41 H new ATOM 895 N GLU A 62 4.773 -8.348 0.029 1.00 0.18 N ATOM 896 CA GLU A 62 6.034 -8.643 0.695 1.00 0.20 C ATOM 897 C GLU A 62 6.371 -7.612 1.769 1.00 0.23 C ATOM 898 O GLU A 62 6.515 -7.932 2.950 1.00 0.33 O ATOM 899 CB GLU A 62 7.149 -8.750 -0.366 1.00 0.24 C ATOM 900 CG GLU A 62 8.071 -9.952 -0.157 1.00 0.36 C ATOM 901 CD GLU A 62 9.004 -9.745 1.036 1.00 1.16 C ATOM 902 OE1 GLU A 62 9.464 -8.591 1.210 1.00 2.28 O ATOM 903 OE2 GLU A 62 9.251 -10.743 1.744 1.00 1.86 O ATOM 0 H GLU A 62 4.808 -8.479 -0.982 1.00 0.18 H new ATOM 0 HA GLU A 62 5.943 -9.596 1.215 1.00 0.20 H new ATOM 0 HB2 GLU A 62 6.695 -8.817 -1.355 1.00 0.24 H new ATOM 0 HB3 GLU A 62 7.745 -7.837 -0.350 1.00 0.24 H new ATOM 0 HG2 GLU A 62 7.471 -10.848 0.001 1.00 0.36 H new ATOM 0 HG3 GLU A 62 8.662 -10.119 -1.057 1.00 0.36 H new ATOM 910 N LYS A 63 6.469 -6.346 1.367 1.00 0.20 N ATOM 911 CA LYS A 63 6.841 -5.327 2.314 1.00 0.19 C ATOM 912 C LYS A 63 5.729 -5.076 3.328 1.00 0.19 C ATOM 913 O LYS A 63 6.031 -4.961 4.510 1.00 0.20 O ATOM 914 CB LYS A 63 7.331 -4.079 1.574 1.00 0.20 C ATOM 915 CG LYS A 63 8.824 -3.885 1.863 1.00 0.27 C ATOM 916 CD LYS A 63 9.653 -5.010 1.208 1.00 0.37 C ATOM 917 CE LYS A 63 10.991 -5.250 1.914 1.00 0.83 C ATOM 918 NZ LYS A 63 11.858 -4.056 1.883 1.00 2.32 N ATOM 0 H LYS A 63 6.299 -6.019 0.416 1.00 0.20 H new ATOM 0 HA LYS A 63 7.683 -5.670 2.915 1.00 0.19 H new ATOM 0 HB2 LYS A 63 7.165 -4.187 0.502 1.00 0.20 H new ATOM 0 HB3 LYS A 63 6.768 -3.204 1.897 1.00 0.20 H new ATOM 0 HG2 LYS A 63 9.151 -2.917 1.484 1.00 0.27 H new ATOM 0 HG3 LYS A 63 8.994 -3.880 2.940 1.00 0.27 H new ATOM 0 HD2 LYS A 63 9.073 -5.933 1.215 1.00 0.37 H new ATOM 0 HD3 LYS A 63 9.839 -4.758 0.164 1.00 0.37 H new ATOM 0 HE2 LYS A 63 10.808 -5.537 2.949 1.00 0.83 H new ATOM 0 HE3 LYS A 63 11.507 -6.084 1.438 1.00 0.83 H new ATOM 0 HZ1 LYS A 63 12.752 -4.263 2.372 1.00 2.32 H new ATOM 0 HZ2 LYS A 63 12.055 -3.796 0.896 1.00 2.32 H new ATOM 0 HZ3 LYS A 63 11.378 -3.266 2.360 1.00 2.32 H new ATOM 932 N ILE A 64 4.465 -5.020 2.898 1.00 0.19 N ATOM 933 CA ILE A 64 3.321 -4.837 3.778 1.00 0.19 C ATOM 934 C ILE A 64 3.377 -5.863 4.930 1.00 0.17 C ATOM 935 O ILE A 64 3.242 -5.484 6.095 1.00 0.19 O ATOM 936 CB ILE A 64 2.015 -4.976 2.975 1.00 0.18 C ATOM 937 CG1 ILE A 64 1.767 -3.908 1.898 1.00 0.21 C ATOM 938 CG2 ILE A 64 0.833 -4.996 3.939 1.00 0.20 C ATOM 939 CD1 ILE A 64 1.350 -2.545 2.434 1.00 0.39 C ATOM 0 H ILE A 64 4.211 -5.102 1.914 1.00 0.19 H new ATOM 0 HA ILE A 64 3.350 -3.837 4.210 1.00 0.19 H new ATOM 0 HB ILE A 64 2.121 -5.912 2.426 1.00 0.18 H new ATOM 0 HG12 ILE A 64 2.676 -3.788 1.309 1.00 0.21 H new ATOM 0 HG13 ILE A 64 0.993 -4.268 1.220 1.00 0.21 H new ATOM 0 HG21 ILE A 64 -0.095 -5.094 3.375 1.00 0.20 H new ATOM 0 HG22 ILE A 64 0.934 -5.840 4.621 1.00 0.20 H new ATOM 0 HG23 ILE A 64 0.814 -4.068 4.510 1.00 0.20 H new ATOM 0 HD11 ILE A 64 1.198 -1.858 1.602 1.00 0.39 H new ATOM 0 HD12 ILE A 64 0.422 -2.644 2.997 1.00 0.39 H new ATOM 0 HD13 ILE A 64 2.131 -2.156 3.087 1.00 0.39 H new ATOM 951 N GLU A 65 3.617 -7.145 4.617 1.00 0.16 N ATOM 952 CA GLU A 65 3.796 -8.188 5.626 1.00 0.18 C ATOM 953 C GLU A 65 4.831 -7.735 6.657 1.00 0.20 C ATOM 954 O GLU A 65 4.563 -7.687 7.856 1.00 0.28 O ATOM 955 CB GLU A 65 4.197 -9.502 4.940 1.00 0.19 C ATOM 956 CG GLU A 65 2.976 -10.304 4.467 1.00 0.23 C ATOM 957 CD GLU A 65 2.498 -11.282 5.537 1.00 0.29 C ATOM 958 OE1 GLU A 65 1.896 -10.806 6.522 1.00 1.61 O ATOM 959 OE2 GLU A 65 2.761 -12.491 5.355 1.00 1.58 O ATOM 0 H GLU A 65 3.692 -7.483 3.657 1.00 0.16 H new ATOM 0 HA GLU A 65 2.861 -8.364 6.157 1.00 0.18 H new ATOM 0 HB2 GLU A 65 4.839 -9.283 4.087 1.00 0.19 H new ATOM 0 HB3 GLU A 65 4.782 -10.108 5.632 1.00 0.19 H new ATOM 0 HG2 GLU A 65 2.167 -9.620 4.211 1.00 0.23 H new ATOM 0 HG3 GLU A 65 3.229 -10.852 3.559 1.00 0.23 H new ATOM 966 N LYS A 66 6.010 -7.337 6.184 1.00 0.23 N ATOM 967 CA LYS A 66 7.103 -6.899 7.042 1.00 0.27 C ATOM 968 C LYS A 66 6.770 -5.610 7.800 1.00 0.25 C ATOM 969 O LYS A 66 7.303 -5.375 8.885 1.00 0.30 O ATOM 970 CB LYS A 66 8.358 -6.710 6.185 1.00 0.33 C ATOM 971 CG LYS A 66 9.583 -7.430 6.770 1.00 0.67 C ATOM 972 CD LYS A 66 10.029 -6.928 8.153 1.00 2.06 C ATOM 973 CE LYS A 66 10.581 -5.496 8.100 1.00 3.85 C ATOM 974 NZ LYS A 66 11.055 -5.041 9.423 1.00 5.34 N ATOM 0 H LYS A 66 6.233 -7.310 5.189 1.00 0.23 H new ATOM 0 HA LYS A 66 7.274 -7.666 7.797 1.00 0.27 H new ATOM 0 HB2 LYS A 66 8.167 -7.084 5.179 1.00 0.33 H new ATOM 0 HB3 LYS A 66 8.575 -5.646 6.094 1.00 0.33 H new ATOM 0 HG2 LYS A 66 9.361 -8.495 6.840 1.00 0.67 H new ATOM 0 HG3 LYS A 66 10.416 -7.323 6.075 1.00 0.67 H new ATOM 0 HD2 LYS A 66 9.184 -6.965 8.841 1.00 2.06 H new ATOM 0 HD3 LYS A 66 10.793 -7.596 8.551 1.00 2.06 H new ATOM 0 HE2 LYS A 66 11.402 -5.449 7.384 1.00 3.85 H new ATOM 0 HE3 LYS A 66 9.805 -4.821 7.740 1.00 3.85 H new ATOM 0 HZ1 LYS A 66 11.420 -4.070 9.346 1.00 5.34 H new ATOM 0 HZ2 LYS A 66 10.266 -5.062 10.100 1.00 5.34 H new ATOM 0 HZ3 LYS A 66 11.813 -5.671 9.755 1.00 5.34 H new ATOM 988 N LEU A 67 5.922 -4.754 7.222 1.00 0.27 N ATOM 989 CA LEU A 67 5.409 -3.567 7.889 1.00 0.24 C ATOM 990 C LEU A 67 4.561 -3.977 9.098 1.00 0.23 C ATOM 991 O LEU A 67 4.370 -3.173 10.008 1.00 0.26 O ATOM 992 CB LEU A 67 4.631 -2.673 6.904 1.00 0.26 C ATOM 993 CG LEU A 67 5.432 -2.151 5.696 1.00 0.82 C ATOM 994 CD1 LEU A 67 4.947 -0.779 5.269 1.00 2.09 C ATOM 995 CD2 LEU A 67 6.954 -2.069 5.881 1.00 1.20 C ATOM 0 H LEU A 67 5.573 -4.872 6.271 1.00 0.27 H new ATOM 0 HA LEU A 67 6.245 -2.971 8.255 1.00 0.24 H new ATOM 0 HB2 LEU A 67 3.774 -3.235 6.532 1.00 0.26 H new ATOM 0 HB3 LEU A 67 4.238 -1.817 7.452 1.00 0.26 H new ATOM 0 HG LEU A 67 5.247 -2.908 4.934 1.00 0.82 H new ATOM 0 HD11 LEU A 67 5.531 -0.436 4.415 1.00 2.09 H new ATOM 0 HD12 LEU A 67 3.895 -0.836 4.990 1.00 2.09 H new ATOM 0 HD13 LEU A 67 5.066 -0.078 6.095 1.00 2.09 H new ATOM 0 HD21 LEU A 67 7.412 -1.689 4.968 1.00 1.20 H new ATOM 0 HD22 LEU A 67 7.184 -1.398 6.709 1.00 1.20 H new ATOM 0 HD23 LEU A 67 7.348 -3.062 6.098 1.00 1.20 H new ATOM 1007 N GLY A 68 4.084 -5.226 9.124 1.00 0.23 N ATOM 1008 CA GLY A 68 3.385 -5.828 10.243 1.00 0.27 C ATOM 1009 C GLY A 68 1.885 -5.833 9.997 1.00 0.28 C ATOM 1010 O GLY A 68 1.113 -5.764 10.952 1.00 0.36 O ATOM 0 H GLY A 68 4.183 -5.861 8.332 1.00 0.23 H new ATOM 0 HA2 GLY A 68 3.738 -6.848 10.393 1.00 0.27 H new ATOM 0 HA3 GLY A 68 3.607 -5.277 11.157 1.00 0.27 H new ATOM 1014 N TYR A 69 1.463 -5.887 8.729 1.00 0.23 N ATOM 1015 CA TYR A 69 0.050 -5.893 8.378 1.00 0.26 C ATOM 1016 C TYR A 69 -0.107 -6.801 7.175 1.00 0.23 C ATOM 1017 O TYR A 69 0.884 -7.144 6.547 1.00 0.22 O ATOM 1018 CB TYR A 69 -0.422 -4.477 8.026 1.00 0.29 C ATOM 1019 CG TYR A 69 -0.176 -3.447 9.110 1.00 0.33 C ATOM 1020 CD1 TYR A 69 1.105 -2.892 9.256 1.00 1.62 C ATOM 1021 CD2 TYR A 69 -1.224 -3.012 9.943 1.00 1.59 C ATOM 1022 CE1 TYR A 69 1.361 -1.955 10.268 1.00 1.65 C ATOM 1023 CE2 TYR A 69 -0.988 -1.999 10.890 1.00 1.59 C ATOM 1024 CZ TYR A 69 0.307 -1.491 11.071 1.00 0.45 C ATOM 1025 OH TYR A 69 0.522 -0.503 11.985 1.00 0.54 O ATOM 0 H TYR A 69 2.091 -5.927 7.926 1.00 0.23 H new ATOM 0 HA TYR A 69 -0.550 -6.245 9.217 1.00 0.26 H new ATOM 0 HB2 TYR A 69 0.082 -4.155 7.115 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -1.489 -4.507 7.806 1.00 0.29 H new ATOM 0 HD1 TYR A 69 1.898 -3.188 8.585 1.00 1.62 H new ATOM 0 HD2 TYR A 69 -2.205 -3.454 9.855 1.00 1.59 H new ATOM 0 HE1 TYR A 69 2.365 -1.592 10.429 1.00 1.65 H new ATOM 0 HE2 TYR A 69 -1.806 -1.611 11.479 1.00 1.59 H new ATOM 0 HH TYR A 69 -0.315 -0.303 12.453 1.00 0.54 H new ATOM 1035 N HIS A 70 -1.341 -7.146 6.820 1.00 0.29 N ATOM 1036 CA HIS A 70 -1.622 -7.816 5.571 1.00 0.36 C ATOM 1037 C HIS A 70 -2.569 -6.899 4.791 1.00 0.38 C ATOM 1038 O HIS A 70 -3.519 -6.355 5.360 1.00 0.44 O ATOM 1039 CB HIS A 70 -2.129 -9.246 5.849 1.00 0.54 C ATOM 1040 CG HIS A 70 -3.497 -9.558 5.308 1.00 1.69 C ATOM 1041 ND1 HIS A 70 -3.894 -9.336 4.012 1.00 3.35 N ATOM 1042 CD2 HIS A 70 -4.628 -9.686 6.071 1.00 1.89 C ATOM 1043 CE1 HIS A 70 -5.225 -9.220 4.026 1.00 4.15 C ATOM 1044 NE2 HIS A 70 -5.727 -9.449 5.247 1.00 3.24 N ATOM 0 H HIS A 70 -2.166 -6.967 7.393 1.00 0.29 H new ATOM 0 HA HIS A 70 -0.743 -7.974 4.946 1.00 0.36 H new ATOM 0 HB2 HIS A 70 -1.418 -9.955 5.425 1.00 0.54 H new ATOM 0 HB3 HIS A 70 -2.137 -9.408 6.927 1.00 0.54 H new ATOM 0 HD1 HIS A 70 -3.288 -9.272 3.194 1.00 3.35 H new ATOM 0 HD2 HIS A 70 -4.662 -9.927 7.123 1.00 1.89 H new ATOM 0 HE1 HIS A 70 -5.822 -8.972 3.161 1.00 4.15 H new ATOM 1052 N VAL A 71 -2.291 -6.741 3.494 1.00 0.37 N ATOM 1053 CA VAL A 71 -3.208 -6.145 2.519 1.00 0.35 C ATOM 1054 C VAL A 71 -3.896 -7.255 1.708 1.00 0.40 C ATOM 1055 O VAL A 71 -3.269 -8.289 1.473 1.00 0.55 O ATOM 1056 CB VAL A 71 -2.466 -5.098 1.667 1.00 0.45 C ATOM 1057 CG1 VAL A 71 -1.513 -5.711 0.639 1.00 0.64 C ATOM 1058 CG2 VAL A 71 -3.442 -4.181 0.942 1.00 0.50 C ATOM 0 H VAL A 71 -1.403 -7.030 3.084 1.00 0.37 H new ATOM 0 HA VAL A 71 -4.007 -5.601 3.022 1.00 0.35 H new ATOM 0 HB VAL A 71 -1.869 -4.527 2.378 1.00 0.45 H new ATOM 0 HG11 VAL A 71 -1.025 -4.916 0.075 1.00 0.64 H new ATOM 0 HG12 VAL A 71 -0.759 -6.307 1.152 1.00 0.64 H new ATOM 0 HG13 VAL A 71 -2.075 -6.348 -0.044 1.00 0.64 H new ATOM 0 HG21 VAL A 71 -2.887 -3.454 0.350 1.00 0.50 H new ATOM 0 HG22 VAL A 71 -4.079 -4.774 0.285 1.00 0.50 H new ATOM 0 HG23 VAL A 71 -4.060 -3.658 1.672 1.00 0.50 H new ATOM 1068 N VAL A 72 -5.181 -7.100 1.358 1.00 0.29 N ATOM 1069 CA VAL A 72 -5.895 -8.032 0.466 1.00 0.42 C ATOM 1070 C VAL A 72 -5.824 -7.495 -0.960 1.00 0.64 C ATOM 1071 O VAL A 72 -5.428 -6.356 -1.165 1.00 1.27 O ATOM 1072 CB VAL A 72 -7.376 -8.272 0.865 1.00 0.67 C ATOM 1073 CG1 VAL A 72 -7.659 -9.485 1.767 1.00 0.92 C ATOM 1074 CG2 VAL A 72 -8.035 -7.035 1.470 1.00 0.93 C ATOM 0 H VAL A 72 -5.757 -6.325 1.685 1.00 0.29 H new ATOM 0 HA VAL A 72 -5.401 -9.000 0.551 1.00 0.42 H new ATOM 0 HB VAL A 72 -7.826 -8.506 -0.100 1.00 0.67 H new ATOM 0 HG11 VAL A 72 -8.728 -9.543 1.974 1.00 0.92 H new ATOM 0 HG12 VAL A 72 -7.337 -10.396 1.263 1.00 0.92 H new ATOM 0 HG13 VAL A 72 -7.114 -9.376 2.704 1.00 0.92 H new ATOM 0 HG21 VAL A 72 -9.069 -7.263 1.729 1.00 0.93 H new ATOM 0 HG22 VAL A 72 -7.493 -6.736 2.368 1.00 0.93 H new ATOM 0 HG23 VAL A 72 -8.014 -6.221 0.746 1.00 0.93 H new ATOM 1084 N ILE A 73 -6.212 -8.310 -1.944 1.00 0.47 N ATOM 1085 CA ILE A 73 -6.395 -7.900 -3.325 1.00 0.51 C ATOM 1086 C ILE A 73 -7.795 -8.354 -3.738 1.00 0.62 C ATOM 1087 O ILE A 73 -8.006 -9.511 -4.095 1.00 0.86 O ATOM 1088 CB ILE A 73 -5.287 -8.516 -4.200 1.00 0.79 C ATOM 1089 CG1 ILE A 73 -3.878 -8.169 -3.686 1.00 1.06 C ATOM 1090 CG2 ILE A 73 -5.440 -8.096 -5.669 1.00 0.91 C ATOM 1091 CD1 ILE A 73 -3.486 -6.697 -3.867 1.00 0.66 C ATOM 0 H ILE A 73 -6.411 -9.299 -1.791 1.00 0.47 H new ATOM 0 HA ILE A 73 -6.317 -6.820 -3.449 1.00 0.51 H new ATOM 0 HB ILE A 73 -5.403 -9.598 -4.134 1.00 0.79 H new ATOM 0 HG12 ILE A 73 -3.817 -8.422 -2.627 1.00 1.06 H new ATOM 0 HG13 ILE A 73 -3.151 -8.793 -4.205 1.00 1.06 H new ATOM 0 HG21 ILE A 73 -4.643 -8.547 -6.261 1.00 0.91 H new ATOM 0 HG22 ILE A 73 -6.406 -8.432 -6.045 1.00 0.91 H new ATOM 0 HG23 ILE A 73 -5.379 -7.010 -5.745 1.00 0.91 H new ATOM 0 HD11 ILE A 73 -2.480 -6.538 -3.479 1.00 0.66 H new ATOM 0 HD12 ILE A 73 -3.511 -6.441 -4.926 1.00 0.66 H new ATOM 0 HD13 ILE A 73 -4.188 -6.064 -3.324 1.00 0.66 H new ATOM 1103 N GLU A 74 -8.759 -7.442 -3.619 1.00 0.91 N ATOM 1104 CA GLU A 74 -10.139 -7.621 -4.060 1.00 1.24 C ATOM 1105 C GLU A 74 -10.225 -8.187 -5.488 1.00 1.68 C ATOM 1106 O GLU A 74 -10.062 -7.468 -6.468 1.00 2.89 O ATOM 1107 CB GLU A 74 -10.940 -6.313 -3.898 1.00 2.93 C ATOM 1108 CG GLU A 74 -10.200 -5.014 -4.276 1.00 5.13 C ATOM 1109 CD GLU A 74 -10.985 -3.794 -3.813 1.00 6.72 C ATOM 1110 OE1 GLU A 74 -11.971 -3.452 -4.498 1.00 7.29 O ATOM 1111 OE2 GLU A 74 -10.605 -3.260 -2.745 1.00 7.68 O ATOM 0 H GLU A 74 -8.594 -6.528 -3.198 1.00 0.91 H new ATOM 0 HA GLU A 74 -10.598 -8.369 -3.414 1.00 1.24 H new ATOM 0 HB2 GLU A 74 -11.841 -6.385 -4.507 1.00 2.93 H new ATOM 0 HB3 GLU A 74 -11.263 -6.235 -2.860 1.00 2.93 H new ATOM 0 HG2 GLU A 74 -9.209 -5.009 -3.822 1.00 5.13 H new ATOM 0 HG3 GLU A 74 -10.056 -4.972 -5.356 1.00 5.13 H new ATOM 1118 N GLY A 75 -10.520 -9.485 -5.606 1.00 2.40 N ATOM 1119 CA GLY A 75 -10.692 -10.150 -6.887 1.00 3.96 C ATOM 1120 C GLY A 75 -9.354 -10.292 -7.608 1.00 4.61 C ATOM 1121 O GLY A 75 -8.565 -11.168 -7.262 1.00 6.13 O ATOM 0 H GLY A 75 -10.646 -10.103 -4.804 1.00 2.40 H new ATOM 0 HA2 GLY A 75 -11.134 -11.135 -6.734 1.00 3.96 H new ATOM 0 HA3 GLY A 75 -11.386 -9.582 -7.507 1.00 3.96 H new ATOM 1125 N ARG A 76 -9.125 -9.474 -8.637 1.00 4.02 N ATOM 1126 CA ARG A 76 -7.843 -9.246 -9.281 1.00 4.76 C ATOM 1127 C ARG A 76 -7.927 -7.812 -9.795 1.00 4.37 C ATOM 1128 O ARG A 76 -6.856 -7.202 -9.994 1.00 5.13 O ATOM 1129 CB ARG A 76 -7.593 -10.168 -10.484 1.00 5.90 C ATOM 1130 CG ARG A 76 -7.399 -11.654 -10.154 1.00 7.18 C ATOM 1131 CD ARG A 76 -8.676 -12.500 -10.261 1.00 8.04 C ATOM 1132 NE ARG A 76 -9.146 -12.616 -11.654 1.00 8.47 N ATOM 1133 CZ ARG A 76 -10.168 -11.943 -12.208 1.00 8.50 C ATOM 1134 NH1 ARG A 76 -10.797 -10.979 -11.526 1.00 8.04 N ATOM 1135 NH2 ARG A 76 -10.551 -12.238 -13.457 1.00 9.52 N ATOM 1136 OXT ARG A 76 -9.087 -7.390 -10.017 1.00 4.34 O ATOM 0 H ARG A 76 -9.873 -8.926 -9.062 1.00 4.02 H new ATOM 0 HA ARG A 76 -7.035 -9.437 -8.575 1.00 4.76 H new ATOM 0 HB2 ARG A 76 -8.434 -10.074 -11.171 1.00 5.90 H new ATOM 0 HB3 ARG A 76 -6.708 -9.813 -11.012 1.00 5.90 H new ATOM 0 HG2 ARG A 76 -6.647 -12.067 -10.826 1.00 7.18 H new ATOM 0 HG3 ARG A 76 -7.004 -11.740 -9.142 1.00 7.18 H new ATOM 0 HD2 ARG A 76 -8.487 -13.495 -9.858 1.00 8.04 H new ATOM 0 HD3 ARG A 76 -9.460 -12.052 -9.650 1.00 8.04 H new ATOM 0 HE ARG A 76 -8.646 -13.271 -12.255 1.00 8.47 H new ATOM 0 HH11 ARG A 76 -10.501 -10.750 -10.577 1.00 8.04 H new ATOM 0 HH12 ARG A 76 -11.572 -10.473 -11.955 1.00 8.04 H new ATOM 0 HH21 ARG A 76 -10.068 -12.969 -13.980 1.00 9.52 H new ATOM 0 HH22 ARG A 76 -11.326 -11.732 -13.886 1.00 9.52 H new TER 1150 ARG A 76