USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 50 THR OG1 : rot 43:sc= 0.202 USER MOD Set 1.2: A 57 CYS SG : rot 75:sc= -1.65 USER MOD Set 2.1: A 52 LYS NZ :NH3+ -165:sc= -0.381 (180deg=-0.672) USER MOD Set 2.2: A 79 ASN : amide:sc= -3.46! C(o=-3.8!,f=-4.2!) USER MOD Set 3.1: A 9 GLN : amide:sc= -0.0022 X(o=-0.0022,f=0) USER MOD Set 3.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.0903 K(o=0.09,f=-4.9!) USER MOD Single : A 10 ASN : amide:sc= -2.4 X(o=-2.4,f=-2!) USER MOD Single : A 11 GLN : amide:sc= -0.0341 K(o=-0.034,f=-0.67) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.37) USER MOD Single : A 14 HIS : no HD1:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0723 K(o=-0.072,f=-1.6) USER MOD Single : A 19 GLN : amide:sc= -0.0196 K(o=-0.02,f=-0.61) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 29 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.377 K(o=-0.38,f=-3.7!) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.943) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.15 K(o=-1.2,f=-1.8) USER MOD Single : A 53 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.063) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 64 CYS SG : rot -19:sc= -3.65! USER MOD Single : A 65 ASN : amide:sc= -1.1 K(o=-1.1,f=-4!) USER MOD Single : A 69 ASN : amide:sc= 0.0162 K(o=0.016,f=-1.1!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0926 X(o=-0.093,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 37:sc= 0.825 USER MOD Single : A 97 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.9!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 38:sc= 1.22 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.536 18.307 -21.515 1.00 0.00 N ATOM 2 CA GLY A 1 -6.995 17.046 -21.037 1.00 0.00 C ATOM 3 C GLY A 1 -6.499 16.186 -22.202 1.00 0.00 C ATOM 4 O GLY A 1 -6.388 16.666 -23.329 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.166 19.086 -20.934 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.256 18.451 -22.506 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.574 18.287 -21.447 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.174 17.237 -20.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.761 16.505 -20.481 1.00 0.00 H new ATOM 8 N SER A 2 -6.214 14.931 -21.889 1.00 0.00 N ATOM 9 CA SER A 2 -5.732 14.000 -22.895 1.00 0.00 C ATOM 10 C SER A 2 -6.743 12.867 -23.086 1.00 0.00 C ATOM 11 O SER A 2 -7.351 12.404 -22.123 1.00 0.00 O ATOM 12 CB SER A 2 -4.365 13.432 -22.510 1.00 0.00 C ATOM 13 OG SER A 2 -3.376 14.452 -22.395 1.00 0.00 O ATOM 0 H SER A 2 -6.308 14.537 -20.953 1.00 0.00 H new ATOM 0 HA SER A 2 -5.619 14.540 -23.835 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.448 12.899 -21.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.051 12.705 -23.259 1.00 0.00 H new ATOM 0 HG SER A 2 -2.518 14.049 -22.146 1.00 0.00 H new ATOM 19 N SER A 3 -6.890 12.453 -24.336 1.00 0.00 N ATOM 20 CA SER A 3 -7.816 11.383 -24.666 1.00 0.00 C ATOM 21 C SER A 3 -7.481 10.806 -26.043 1.00 0.00 C ATOM 22 O SER A 3 -7.090 11.541 -26.949 1.00 0.00 O ATOM 23 CB SER A 3 -9.263 11.878 -24.636 1.00 0.00 C ATOM 24 OG SER A 3 -9.547 12.763 -25.716 1.00 0.00 O ATOM 0 H SER A 3 -6.383 12.839 -25.133 1.00 0.00 H new ATOM 0 HA SER A 3 -7.713 10.599 -23.916 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.939 11.024 -24.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.453 12.387 -23.691 1.00 0.00 H new ATOM 0 HG SER A 3 -10.481 13.055 -25.662 1.00 0.00 H new ATOM 30 N GLY A 4 -7.646 9.497 -26.157 1.00 0.00 N ATOM 31 CA GLY A 4 -7.366 8.813 -27.408 1.00 0.00 C ATOM 32 C GLY A 4 -6.670 7.474 -27.157 1.00 0.00 C ATOM 33 O GLY A 4 -5.872 7.349 -26.230 1.00 0.00 O ATOM 0 H GLY A 4 -7.970 8.891 -25.403 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.296 8.647 -27.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.736 9.442 -28.037 1.00 0.00 H new ATOM 37 N SER A 5 -6.998 6.506 -28.001 1.00 0.00 N ATOM 38 CA SER A 5 -6.415 5.181 -27.882 1.00 0.00 C ATOM 39 C SER A 5 -5.085 5.125 -28.637 1.00 0.00 C ATOM 40 O SER A 5 -5.051 4.782 -29.818 1.00 0.00 O ATOM 41 CB SER A 5 -7.370 4.109 -28.411 1.00 0.00 C ATOM 42 OG SER A 5 -7.973 3.364 -27.356 1.00 0.00 O ATOM 0 H SER A 5 -7.660 6.613 -28.770 1.00 0.00 H new ATOM 0 HA SER A 5 -6.236 4.980 -26.826 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.147 4.581 -29.012 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.826 3.431 -29.069 1.00 0.00 H new ATOM 0 HG SER A 5 -8.577 2.691 -27.734 1.00 0.00 H new ATOM 48 N SER A 6 -4.022 5.466 -27.925 1.00 0.00 N ATOM 49 CA SER A 6 -2.693 5.459 -28.512 1.00 0.00 C ATOM 50 C SER A 6 -1.745 4.618 -27.654 1.00 0.00 C ATOM 51 O SER A 6 -1.769 4.707 -26.428 1.00 0.00 O ATOM 52 CB SER A 6 -2.150 6.882 -28.664 1.00 0.00 C ATOM 53 OG SER A 6 -1.844 7.474 -27.405 1.00 0.00 O ATOM 0 H SER A 6 -4.054 5.749 -26.946 1.00 0.00 H new ATOM 0 HA SER A 6 -2.761 5.017 -29.506 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.253 6.864 -29.283 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.884 7.497 -29.185 1.00 0.00 H new ATOM 0 HG SER A 6 -1.499 8.380 -27.545 1.00 0.00 H new ATOM 59 N GLY A 7 -0.934 3.821 -28.333 1.00 0.00 N ATOM 60 CA GLY A 7 0.020 2.965 -27.648 1.00 0.00 C ATOM 61 C GLY A 7 0.201 1.641 -28.393 1.00 0.00 C ATOM 62 O GLY A 7 -0.277 0.601 -27.942 1.00 0.00 O ATOM 0 H GLY A 7 -0.917 3.750 -29.350 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.980 3.475 -27.567 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.324 2.771 -26.632 1.00 0.00 H new ATOM 66 N ASN A 8 0.893 1.722 -29.520 1.00 0.00 N ATOM 67 CA ASN A 8 1.143 0.543 -30.331 1.00 0.00 C ATOM 68 C ASN A 8 1.965 -0.462 -29.522 1.00 0.00 C ATOM 69 O ASN A 8 2.937 -0.090 -28.867 1.00 0.00 O ATOM 70 CB ASN A 8 1.937 0.899 -31.590 1.00 0.00 C ATOM 71 CG ASN A 8 3.196 1.693 -31.238 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.159 2.674 -30.514 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.308 1.217 -31.790 1.00 0.00 N ATOM 0 H ASN A 8 1.288 2.586 -29.891 1.00 0.00 H new ATOM 0 HA ASN A 8 0.180 0.121 -30.619 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.214 -0.013 -32.119 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.312 1.483 -32.266 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.201 1.678 -31.617 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.268 0.391 -32.387 1.00 0.00 H new ATOM 80 N GLN A 9 1.545 -1.717 -29.595 1.00 0.00 N ATOM 81 CA GLN A 9 2.230 -2.778 -28.877 1.00 0.00 C ATOM 82 C GLN A 9 2.929 -3.718 -29.861 1.00 0.00 C ATOM 83 O GLN A 9 2.321 -4.663 -30.362 1.00 0.00 O ATOM 84 CB GLN A 9 1.259 -3.548 -27.979 1.00 0.00 C ATOM 85 CG GLN A 9 1.367 -3.079 -26.527 1.00 0.00 C ATOM 86 CD GLN A 9 0.175 -3.569 -25.703 1.00 0.00 C ATOM 87 OE1 GLN A 9 -0.940 -3.090 -25.829 1.00 0.00 O ATOM 88 NE2 GLN A 9 0.471 -4.549 -24.853 1.00 0.00 N ATOM 0 H GLN A 9 0.739 -2.022 -30.140 1.00 0.00 H new ATOM 0 HA GLN A 9 2.987 -2.327 -28.235 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.239 -3.407 -28.336 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.473 -4.615 -28.037 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.294 -3.450 -26.089 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.413 -1.990 -26.495 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.425 -4.905 -24.797 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.256 -4.945 -24.257 1.00 0.00 H new ATOM 97 N ASN A 10 4.198 -3.426 -30.109 1.00 0.00 N ATOM 98 CA ASN A 10 4.986 -4.234 -31.024 1.00 0.00 C ATOM 99 C ASN A 10 5.744 -5.302 -30.232 1.00 0.00 C ATOM 100 O ASN A 10 6.851 -5.058 -29.756 1.00 0.00 O ATOM 101 CB ASN A 10 6.015 -3.378 -31.767 1.00 0.00 C ATOM 102 CG ASN A 10 6.842 -2.542 -30.789 1.00 0.00 C ATOM 103 OD1 ASN A 10 7.917 -2.925 -30.360 1.00 0.00 O ATOM 104 ND2 ASN A 10 6.281 -1.381 -30.462 1.00 0.00 N ATOM 0 H ASN A 10 4.699 -2.642 -29.692 1.00 0.00 H new ATOM 0 HA ASN A 10 4.306 -4.688 -31.744 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.675 -4.021 -32.350 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.506 -2.721 -32.472 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.754 -0.750 -29.815 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.378 -1.122 -30.858 1.00 0.00 H new ATOM 111 N GLN A 11 5.116 -6.463 -30.116 1.00 0.00 N ATOM 112 CA GLN A 11 5.716 -7.569 -29.390 1.00 0.00 C ATOM 113 C GLN A 11 6.429 -7.056 -28.137 1.00 0.00 C ATOM 114 O GLN A 11 7.652 -6.921 -28.125 1.00 0.00 O ATOM 115 CB GLN A 11 6.677 -8.354 -30.284 1.00 0.00 C ATOM 116 CG GLN A 11 6.024 -9.641 -30.793 1.00 0.00 C ATOM 117 CD GLN A 11 7.017 -10.805 -30.771 1.00 0.00 C ATOM 118 OE1 GLN A 11 8.221 -10.630 -30.861 1.00 0.00 O ATOM 119 NE2 GLN A 11 6.446 -12.000 -30.648 1.00 0.00 N ATOM 0 H GLN A 11 4.198 -6.662 -30.513 1.00 0.00 H new ATOM 0 HA GLN A 11 4.922 -8.249 -29.081 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.979 -7.736 -31.130 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.582 -8.597 -29.727 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.160 -9.884 -30.175 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.657 -9.490 -31.808 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.431 -12.076 -30.577 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.023 -12.841 -30.624 1.00 0.00 H new ATOM 128 N THR A 12 5.634 -6.785 -27.112 1.00 0.00 N ATOM 129 CA THR A 12 6.174 -6.291 -25.856 1.00 0.00 C ATOM 130 C THR A 12 5.135 -6.423 -24.741 1.00 0.00 C ATOM 131 O THR A 12 3.934 -6.369 -24.997 1.00 0.00 O ATOM 132 CB THR A 12 6.648 -4.853 -26.079 1.00 0.00 C ATOM 133 OG1 THR A 12 7.317 -4.517 -24.867 1.00 0.00 O ATOM 134 CG2 THR A 12 5.487 -3.859 -26.153 1.00 0.00 C ATOM 0 H THR A 12 4.620 -6.898 -27.125 1.00 0.00 H new ATOM 0 HA THR A 12 7.029 -6.884 -25.532 1.00 0.00 H new ATOM 0 HB THR A 12 7.229 -4.800 -27.000 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.658 -3.600 -24.925 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.878 -2.854 -26.312 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.830 -4.128 -26.980 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.925 -3.886 -25.220 1.00 0.00 H new ATOM 142 N GLN A 13 5.637 -6.592 -23.526 1.00 0.00 N ATOM 143 CA GLN A 13 4.768 -6.732 -22.370 1.00 0.00 C ATOM 144 C GLN A 13 4.947 -5.543 -21.424 1.00 0.00 C ATOM 145 O GLN A 13 5.694 -5.627 -20.450 1.00 0.00 O ATOM 146 CB GLN A 13 5.027 -8.054 -21.645 1.00 0.00 C ATOM 147 CG GLN A 13 4.079 -9.147 -22.142 1.00 0.00 C ATOM 148 CD GLN A 13 2.900 -9.327 -21.184 1.00 0.00 C ATOM 149 OE1 GLN A 13 3.053 -9.383 -19.974 1.00 0.00 O ATOM 150 NE2 GLN A 13 1.719 -9.416 -21.789 1.00 0.00 N ATOM 0 H GLN A 13 6.635 -6.635 -23.317 1.00 0.00 H new ATOM 0 HA GLN A 13 3.735 -6.743 -22.717 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.060 -8.364 -21.804 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.897 -7.916 -20.572 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.710 -8.889 -23.135 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.621 -10.088 -22.238 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.662 -9.361 -22.806 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.871 -9.539 -21.236 1.00 0.00 H new ATOM 159 N HIS A 14 4.250 -4.463 -21.744 1.00 0.00 N ATOM 160 CA HIS A 14 4.324 -3.258 -20.934 1.00 0.00 C ATOM 161 C HIS A 14 2.959 -2.567 -20.918 1.00 0.00 C ATOM 162 O HIS A 14 2.463 -2.140 -21.959 1.00 0.00 O ATOM 163 CB HIS A 14 5.446 -2.342 -21.425 1.00 0.00 C ATOM 164 CG HIS A 14 5.913 -1.338 -20.397 1.00 0.00 C ATOM 165 ND1 HIS A 14 7.243 -1.188 -20.045 1.00 0.00 N ATOM 166 CD2 HIS A 14 5.213 -0.436 -19.651 1.00 0.00 C ATOM 167 CE1 HIS A 14 7.328 -0.237 -19.127 1.00 0.00 C ATOM 168 NE2 HIS A 14 6.069 0.228 -18.884 1.00 0.00 N ATOM 0 H HIS A 14 3.632 -4.397 -22.552 1.00 0.00 H new ATOM 0 HA HIS A 14 4.572 -3.521 -19.906 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.294 -2.955 -21.731 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.103 -1.807 -22.311 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.144 -0.287 -19.679 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.235 0.109 -18.654 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.825 0.965 -18.222 1.00 0.00 H new ATOM 176 N LYS A 15 2.390 -2.478 -19.725 1.00 0.00 N ATOM 177 CA LYS A 15 1.092 -1.846 -19.559 1.00 0.00 C ATOM 178 C LYS A 15 1.121 -0.951 -18.319 1.00 0.00 C ATOM 179 O LYS A 15 0.928 0.260 -18.419 1.00 0.00 O ATOM 180 CB LYS A 15 -0.017 -2.900 -19.531 1.00 0.00 C ATOM 181 CG LYS A 15 -0.542 -3.179 -20.941 1.00 0.00 C ATOM 182 CD LYS A 15 -1.365 -4.469 -20.973 1.00 0.00 C ATOM 183 CE LYS A 15 -2.295 -4.495 -22.188 1.00 0.00 C ATOM 184 NZ LYS A 15 -2.336 -5.851 -22.780 1.00 0.00 N ATOM 0 H LYS A 15 2.804 -2.833 -18.863 1.00 0.00 H new ATOM 0 HA LYS A 15 0.869 -1.204 -20.411 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.363 -3.822 -19.091 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.834 -2.557 -18.896 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.156 -2.343 -21.277 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.294 -3.259 -21.635 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.697 -5.330 -21.003 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.953 -4.553 -20.059 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.299 -4.191 -21.892 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.951 -3.777 -22.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.971 -5.851 -23.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.380 -6.128 -23.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.686 -6.528 -22.072 1.00 0.00 H new ATOM 198 N GLN A 16 1.363 -1.580 -17.179 1.00 0.00 N ATOM 199 CA GLN A 16 1.420 -0.856 -15.921 1.00 0.00 C ATOM 200 C GLN A 16 0.015 -0.425 -15.493 1.00 0.00 C ATOM 201 O GLN A 16 -0.457 -0.808 -14.423 1.00 0.00 O ATOM 202 CB GLN A 16 2.355 0.351 -16.024 1.00 0.00 C ATOM 203 CG GLN A 16 3.006 0.657 -14.674 1.00 0.00 C ATOM 204 CD GLN A 16 4.228 -0.233 -14.440 1.00 0.00 C ATOM 205 OE1 GLN A 16 4.594 -1.058 -15.261 1.00 0.00 O ATOM 206 NE2 GLN A 16 4.837 -0.021 -13.277 1.00 0.00 N ATOM 0 H GLN A 16 1.522 -2.584 -17.100 1.00 0.00 H new ATOM 0 HA GLN A 16 1.823 -1.523 -15.159 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.127 0.155 -16.768 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.795 1.221 -16.367 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.303 1.705 -14.639 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.282 0.504 -13.874 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.478 0.686 -12.635 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.663 -0.565 -13.027 1.00 0.00 H new ATOM 215 N ARG A 17 -0.614 0.365 -16.350 1.00 0.00 N ATOM 216 CA ARG A 17 -1.955 0.852 -16.074 1.00 0.00 C ATOM 217 C ARG A 17 -1.967 1.673 -14.783 1.00 0.00 C ATOM 218 O ARG A 17 -1.117 1.482 -13.914 1.00 0.00 O ATOM 219 CB ARG A 17 -2.945 -0.307 -15.943 1.00 0.00 C ATOM 220 CG ARG A 17 -3.696 -0.539 -17.256 1.00 0.00 C ATOM 221 CD ARG A 17 -5.198 -0.313 -17.075 1.00 0.00 C ATOM 222 NE ARG A 17 -5.917 -1.605 -17.150 1.00 0.00 N ATOM 223 CZ ARG A 17 -7.212 -1.763 -16.846 1.00 0.00 C ATOM 224 NH1 ARG A 17 -7.939 -0.712 -16.444 1.00 0.00 N ATOM 225 NH2 ARG A 17 -7.780 -2.973 -16.944 1.00 0.00 N ATOM 0 H ARG A 17 -0.220 0.680 -17.236 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.258 1.481 -16.911 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.412 -1.215 -15.660 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.657 -0.093 -15.146 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.313 0.135 -18.022 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.517 -1.555 -17.607 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.389 0.164 -16.114 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.568 0.364 -17.845 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.393 -2.427 -17.452 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.506 0.209 -16.369 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.925 -0.833 -16.213 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.226 -3.773 -17.250 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.766 -3.094 -16.713 1.00 0.00 H new ATOM 239 N PRO A 18 -2.965 2.593 -14.696 1.00 0.00 N ATOM 240 CA PRO A 18 -3.098 3.443 -13.525 1.00 0.00 C ATOM 241 C PRO A 18 -3.669 2.660 -12.341 1.00 0.00 C ATOM 242 O PRO A 18 -4.465 1.742 -12.526 1.00 0.00 O ATOM 243 CB PRO A 18 -3.996 4.586 -13.970 1.00 0.00 C ATOM 244 CG PRO A 18 -4.706 4.095 -15.221 1.00 0.00 C ATOM 245 CD PRO A 18 -3.989 2.846 -15.705 1.00 0.00 C ATOM 0 HA PRO A 18 -2.140 3.822 -13.168 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.713 4.846 -13.191 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.413 5.483 -14.179 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.752 3.875 -15.005 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.695 4.865 -15.993 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.676 2.004 -15.792 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.546 3.000 -16.689 1.00 0.00 H new ATOM 253 N GLN A 19 -3.239 3.053 -11.151 1.00 0.00 N ATOM 254 CA GLN A 19 -3.697 2.400 -9.937 1.00 0.00 C ATOM 255 C GLN A 19 -3.745 3.402 -8.781 1.00 0.00 C ATOM 256 O GLN A 19 -3.009 3.263 -7.804 1.00 0.00 O ATOM 257 CB GLN A 19 -2.809 1.204 -9.589 1.00 0.00 C ATOM 258 CG GLN A 19 -1.342 1.624 -9.478 1.00 0.00 C ATOM 259 CD GLN A 19 -0.633 0.851 -8.364 1.00 0.00 C ATOM 260 OE1 GLN A 19 -1.016 -0.247 -7.994 1.00 0.00 O ATOM 261 NE2 GLN A 19 0.419 1.483 -7.851 1.00 0.00 N ATOM 0 H GLN A 19 -2.578 3.816 -11.002 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.706 2.024 -10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.137 0.765 -8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.914 0.434 -10.354 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.836 1.447 -10.427 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.280 2.694 -9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.686 2.401 -8.207 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.959 1.050 -7.102 1.00 0.00 H new ATOM 270 N ALA A 20 -4.617 4.388 -8.930 1.00 0.00 N ATOM 271 CA ALA A 20 -4.770 5.412 -7.910 1.00 0.00 C ATOM 272 C ALA A 20 -6.022 6.239 -8.209 1.00 0.00 C ATOM 273 O ALA A 20 -6.706 6.001 -9.203 1.00 0.00 O ATOM 274 CB ALA A 20 -3.504 6.269 -7.854 1.00 0.00 C ATOM 0 H ALA A 20 -5.225 4.500 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.901 4.960 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.618 7.037 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.649 5.639 -7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.342 6.742 -8.822 1.00 0.00 H new ATOM 280 N THR A 21 -6.285 7.194 -7.329 1.00 0.00 N ATOM 281 CA THR A 21 -7.442 8.058 -7.486 1.00 0.00 C ATOM 282 C THR A 21 -8.732 7.238 -7.421 1.00 0.00 C ATOM 283 O THR A 21 -9.336 7.106 -6.357 1.00 0.00 O ATOM 284 CB THR A 21 -7.280 8.834 -8.795 1.00 0.00 C ATOM 285 OG1 THR A 21 -6.185 9.711 -8.546 1.00 0.00 O ATOM 286 CG2 THR A 21 -8.456 9.773 -9.069 1.00 0.00 C ATOM 0 H THR A 21 -5.716 7.388 -6.505 1.00 0.00 H new ATOM 0 HA THR A 21 -7.510 8.779 -6.671 1.00 0.00 H new ATOM 0 HB THR A 21 -7.177 8.132 -9.622 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.010 10.251 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.290 10.299 -10.009 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.377 9.193 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.540 10.497 -8.258 1.00 0.00 H new ATOM 294 N ALA A 22 -9.118 6.709 -8.573 1.00 0.00 N ATOM 295 CA ALA A 22 -10.325 5.905 -8.661 1.00 0.00 C ATOM 296 C ALA A 22 -10.003 4.464 -8.261 1.00 0.00 C ATOM 297 O ALA A 22 -10.714 3.867 -7.454 1.00 0.00 O ATOM 298 CB ALA A 22 -10.902 6.003 -10.074 1.00 0.00 C ATOM 0 H ALA A 22 -8.616 6.822 -9.454 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.084 6.276 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.807 5.400 -10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.141 7.043 -10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.169 5.637 -10.793 1.00 0.00 H new ATOM 304 N GLU A 23 -8.932 3.947 -8.844 1.00 0.00 N ATOM 305 CA GLU A 23 -8.507 2.587 -8.559 1.00 0.00 C ATOM 306 C GLU A 23 -8.364 2.381 -7.050 1.00 0.00 C ATOM 307 O GLU A 23 -8.980 1.482 -6.481 1.00 0.00 O ATOM 308 CB GLU A 23 -7.201 2.257 -9.284 1.00 0.00 C ATOM 309 CG GLU A 23 -7.468 1.437 -10.548 1.00 0.00 C ATOM 310 CD GLU A 23 -8.340 2.217 -11.534 1.00 0.00 C ATOM 311 OE1 GLU A 23 -8.098 3.436 -11.664 1.00 0.00 O ATOM 312 OE2 GLU A 23 -9.229 1.576 -12.135 1.00 0.00 O ATOM 0 H GLU A 23 -8.345 4.446 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.271 1.903 -8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.684 3.180 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.542 1.701 -8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.522 1.175 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.961 0.502 -10.282 1.00 0.00 H new ATOM 319 N GLN A 24 -7.547 3.231 -6.444 1.00 0.00 N ATOM 320 CA GLN A 24 -7.314 3.153 -5.012 1.00 0.00 C ATOM 321 C GLN A 24 -8.626 2.875 -4.275 1.00 0.00 C ATOM 322 O GLN A 24 -8.740 1.886 -3.553 1.00 0.00 O ATOM 323 CB GLN A 24 -6.655 4.433 -4.493 1.00 0.00 C ATOM 324 CG GLN A 24 -6.230 4.277 -3.032 1.00 0.00 C ATOM 325 CD GLN A 24 -6.880 5.350 -2.155 1.00 0.00 C ATOM 326 OE1 GLN A 24 -6.375 6.449 -1.997 1.00 0.00 O ATOM 327 NE2 GLN A 24 -8.024 4.969 -1.594 1.00 0.00 N ATOM 0 H GLN A 24 -7.038 3.977 -6.919 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.629 2.327 -4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.785 4.672 -5.105 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.350 5.268 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.511 3.288 -2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.145 4.348 -2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.391 4.033 -1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.535 5.612 -0.989 1.00 0.00 H new ATOM 336 N ILE A 25 -9.585 3.766 -4.484 1.00 0.00 N ATOM 337 CA ILE A 25 -10.885 3.629 -3.849 1.00 0.00 C ATOM 338 C ILE A 25 -11.314 2.161 -3.886 1.00 0.00 C ATOM 339 O ILE A 25 -11.573 1.560 -2.845 1.00 0.00 O ATOM 340 CB ILE A 25 -11.897 4.582 -4.488 1.00 0.00 C ATOM 341 CG1 ILE A 25 -11.496 6.041 -4.259 1.00 0.00 C ATOM 342 CG2 ILE A 25 -13.314 4.292 -3.991 1.00 0.00 C ATOM 343 CD1 ILE A 25 -12.239 6.971 -5.221 1.00 0.00 C ATOM 0 H ILE A 25 -9.487 4.585 -5.084 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.828 3.918 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.893 4.412 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.716 6.325 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.421 6.152 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.013 4.984 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.588 3.269 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.353 4.417 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.936 8.002 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.998 6.699 -6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.313 6.875 -5.063 1.00 0.00 H new ATOM 355 N ARG A 26 -11.375 1.627 -5.097 1.00 0.00 N ATOM 356 CA ARG A 26 -11.768 0.240 -5.284 1.00 0.00 C ATOM 357 C ARG A 26 -10.783 -0.691 -4.575 1.00 0.00 C ATOM 358 O ARG A 26 -11.188 -1.674 -3.956 1.00 0.00 O ATOM 359 CB ARG A 26 -11.823 -0.121 -6.770 1.00 0.00 C ATOM 360 CG ARG A 26 -13.209 0.161 -7.352 1.00 0.00 C ATOM 361 CD ARG A 26 -13.806 -1.099 -7.982 1.00 0.00 C ATOM 362 NE ARG A 26 -14.667 -0.732 -9.129 1.00 0.00 N ATOM 363 CZ ARG A 26 -15.240 -1.621 -9.952 1.00 0.00 C ATOM 364 NH1 ARG A 26 -15.048 -2.933 -9.760 1.00 0.00 N ATOM 365 NH2 ARG A 26 -16.005 -1.197 -10.968 1.00 0.00 N ATOM 0 H ARG A 26 -11.159 2.129 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.762 0.116 -4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.073 0.452 -7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.577 -1.175 -6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.870 0.527 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.139 0.949 -8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.008 -1.763 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.388 -1.646 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.834 0.259 -9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.466 -3.255 -8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.484 -3.609 -10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.151 -0.198 -11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.441 -1.873 -11.595 1.00 0.00 H new ATOM 379 N LEU A 27 -9.508 -0.349 -4.689 1.00 0.00 N ATOM 380 CA LEU A 27 -8.462 -1.142 -4.067 1.00 0.00 C ATOM 381 C LEU A 27 -8.762 -1.294 -2.575 1.00 0.00 C ATOM 382 O LEU A 27 -9.002 -2.402 -2.096 1.00 0.00 O ATOM 383 CB LEU A 27 -7.087 -0.538 -4.359 1.00 0.00 C ATOM 384 CG LEU A 27 -6.616 -0.613 -5.813 1.00 0.00 C ATOM 385 CD1 LEU A 27 -5.097 -0.455 -5.906 1.00 0.00 C ATOM 386 CD2 LEU A 27 -7.101 -1.902 -6.480 1.00 0.00 C ATOM 0 H LEU A 27 -9.176 0.467 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.441 -2.145 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.100 0.509 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.351 -1.042 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.060 0.219 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.788 -0.512 -6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.806 0.511 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.613 -1.251 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.753 -1.931 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.706 -2.762 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.190 -1.933 -6.464 1.00 0.00 H new ATOM 398 N ALA A 28 -8.741 -0.166 -1.881 1.00 0.00 N ATOM 399 CA ALA A 28 -9.008 -0.160 -0.453 1.00 0.00 C ATOM 400 C ALA A 28 -10.330 -0.881 -0.183 1.00 0.00 C ATOM 401 O ALA A 28 -10.508 -1.485 0.874 1.00 0.00 O ATOM 402 CB ALA A 28 -9.015 1.282 0.060 1.00 0.00 C ATOM 0 H ALA A 28 -8.543 0.751 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.225 -0.694 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.215 1.286 1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.044 1.740 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.790 1.848 -0.456 1.00 0.00 H new ATOM 408 N GLN A 29 -11.225 -0.793 -1.156 1.00 0.00 N ATOM 409 CA GLN A 29 -12.526 -1.429 -1.037 1.00 0.00 C ATOM 410 C GLN A 29 -12.394 -2.944 -1.210 1.00 0.00 C ATOM 411 O GLN A 29 -13.128 -3.710 -0.589 1.00 0.00 O ATOM 412 CB GLN A 29 -13.516 -0.846 -2.047 1.00 0.00 C ATOM 413 CG GLN A 29 -14.729 -1.763 -2.218 1.00 0.00 C ATOM 414 CD GLN A 29 -16.023 -0.951 -2.301 1.00 0.00 C ATOM 415 OE1 GLN A 29 -16.437 -0.295 -1.359 1.00 0.00 O ATOM 416 NE2 GLN A 29 -16.636 -1.031 -3.479 1.00 0.00 N ATOM 0 H GLN A 29 -11.075 -0.291 -2.031 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.916 -1.229 -0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.844 0.138 -1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.021 -0.708 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.612 -2.361 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.785 -2.458 -1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.235 -1.599 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.507 -0.525 -3.636 1.00 0.00 H new ATOM 425 N MET A 30 -11.452 -3.330 -2.059 1.00 0.00 N ATOM 426 CA MET A 30 -11.215 -4.739 -2.322 1.00 0.00 C ATOM 427 C MET A 30 -10.310 -5.352 -1.251 1.00 0.00 C ATOM 428 O MET A 30 -10.544 -6.474 -0.804 1.00 0.00 O ATOM 429 CB MET A 30 -10.560 -4.899 -3.696 1.00 0.00 C ATOM 430 CG MET A 30 -11.587 -4.718 -4.816 1.00 0.00 C ATOM 431 SD MET A 30 -10.768 -4.203 -6.316 1.00 0.00 S ATOM 432 CE MET A 30 -10.235 -5.788 -6.939 1.00 0.00 C ATOM 0 H MET A 30 -10.845 -2.692 -2.573 1.00 0.00 H new ATOM 0 HA MET A 30 -12.173 -5.259 -2.303 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.760 -4.167 -3.809 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.103 -5.886 -3.773 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.121 -5.653 -4.986 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.329 -3.975 -4.524 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.702 -5.649 -7.879 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.573 -6.260 -6.213 1.00 0.00 H new ATOM 0 HE3 MET A 30 -11.104 -6.424 -7.105 1.00 0.00 H new ATOM 442 N ILE A 31 -9.296 -4.589 -0.871 1.00 0.00 N ATOM 443 CA ILE A 31 -8.355 -5.043 0.139 1.00 0.00 C ATOM 444 C ILE A 31 -9.106 -5.311 1.445 1.00 0.00 C ATOM 445 O ILE A 31 -8.851 -6.309 2.118 1.00 0.00 O ATOM 446 CB ILE A 31 -7.204 -4.046 0.286 1.00 0.00 C ATOM 447 CG1 ILE A 31 -6.203 -4.191 -0.862 1.00 0.00 C ATOM 448 CG2 ILE A 31 -6.532 -4.181 1.654 1.00 0.00 C ATOM 449 CD1 ILE A 31 -5.935 -2.842 -1.531 1.00 0.00 C ATOM 0 H ILE A 31 -9.105 -3.659 -1.244 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.895 -5.983 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.616 -3.038 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.268 -4.605 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.589 -4.896 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.717 -3.461 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.263 -3.988 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.136 -5.190 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.220 -2.974 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.867 -2.442 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.526 -2.147 -0.798 1.00 0.00 H new ATOM 461 N SER A 32 -10.017 -4.404 1.765 1.00 0.00 N ATOM 462 CA SER A 32 -10.806 -4.530 2.978 1.00 0.00 C ATOM 463 C SER A 32 -11.489 -5.899 3.018 1.00 0.00 C ATOM 464 O SER A 32 -11.442 -6.591 4.033 1.00 0.00 O ATOM 465 CB SER A 32 -11.848 -3.414 3.076 1.00 0.00 C ATOM 466 OG SER A 32 -12.400 -3.313 4.386 1.00 0.00 O ATOM 0 H SER A 32 -10.226 -3.578 1.204 1.00 0.00 H new ATOM 0 HA SER A 32 -10.136 -4.440 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.389 -2.464 2.802 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.648 -3.600 2.359 1.00 0.00 H new ATOM 0 HG SER A 32 -13.059 -2.588 4.408 1.00 0.00 H new ATOM 472 N ASP A 33 -12.108 -6.248 1.899 1.00 0.00 N ATOM 473 CA ASP A 33 -12.799 -7.522 1.794 1.00 0.00 C ATOM 474 C ASP A 33 -11.811 -8.658 2.061 1.00 0.00 C ATOM 475 O ASP A 33 -12.142 -9.627 2.743 1.00 0.00 O ATOM 476 CB ASP A 33 -13.378 -7.719 0.391 1.00 0.00 C ATOM 477 CG ASP A 33 -14.870 -7.407 0.258 1.00 0.00 C ATOM 478 OD1 ASP A 33 -15.463 -7.020 1.287 1.00 0.00 O ATOM 479 OD2 ASP A 33 -15.384 -7.563 -0.871 1.00 0.00 O ATOM 0 H ASP A 33 -12.145 -5.671 1.058 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.609 -7.528 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.827 -7.087 -0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.210 -8.752 0.086 1.00 0.00 H new ATOM 484 N HIS A 34 -10.616 -8.502 1.510 1.00 0.00 N ATOM 485 CA HIS A 34 -9.576 -9.503 1.681 1.00 0.00 C ATOM 486 C HIS A 34 -8.424 -8.912 2.496 1.00 0.00 C ATOM 487 O HIS A 34 -7.350 -8.646 1.957 1.00 0.00 O ATOM 488 CB HIS A 34 -9.124 -10.053 0.326 1.00 0.00 C ATOM 489 CG HIS A 34 -10.167 -10.889 -0.376 1.00 0.00 C ATOM 490 ND1 HIS A 34 -10.467 -12.186 0.003 1.00 0.00 N ATOM 491 CD2 HIS A 34 -10.975 -10.601 -1.435 1.00 0.00 C ATOM 492 CE1 HIS A 34 -11.414 -12.648 -0.800 1.00 0.00 C ATOM 493 NE2 HIS A 34 -11.728 -11.664 -1.691 1.00 0.00 N ATOM 0 H HIS A 34 -10.345 -7.697 0.945 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.971 -10.352 2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.847 -9.219 -0.319 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.227 -10.656 0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.999 -9.666 -1.975 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.859 -13.631 -0.757 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -12.426 -11.733 -2.432 1.00 0.00 H new ATOM 501 N ASN A 35 -8.686 -8.725 3.781 1.00 0.00 N ATOM 502 CA ASN A 35 -7.684 -8.170 4.676 1.00 0.00 C ATOM 503 C ASN A 35 -7.309 -9.218 5.726 1.00 0.00 C ATOM 504 O ASN A 35 -8.140 -10.038 6.113 1.00 0.00 O ATOM 505 CB ASN A 35 -8.220 -6.938 5.407 1.00 0.00 C ATOM 506 CG ASN A 35 -7.079 -6.004 5.817 1.00 0.00 C ATOM 507 OD1 ASN A 35 -6.214 -6.348 6.606 1.00 0.00 O ATOM 508 ND2 ASN A 35 -7.125 -4.808 5.238 1.00 0.00 N ATOM 0 H ASN A 35 -9.577 -8.948 4.224 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.818 -7.885 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.918 -6.404 4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.776 -7.249 6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.408 -4.113 5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.878 -4.585 4.586 1.00 0.00 H new ATOM 515 N ASP A 36 -6.058 -9.156 6.157 1.00 0.00 N ATOM 516 CA ASP A 36 -5.563 -10.088 7.156 1.00 0.00 C ATOM 517 C ASP A 36 -5.553 -9.406 8.525 1.00 0.00 C ATOM 518 O ASP A 36 -5.696 -8.187 8.616 1.00 0.00 O ATOM 519 CB ASP A 36 -4.134 -10.530 6.837 1.00 0.00 C ATOM 520 CG ASP A 36 -3.915 -12.044 6.807 1.00 0.00 C ATOM 521 OD1 ASP A 36 -4.883 -12.750 6.450 1.00 0.00 O ATOM 522 OD2 ASP A 36 -2.785 -12.461 7.141 1.00 0.00 O ATOM 0 H ASP A 36 -5.372 -8.475 5.833 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.218 -10.959 7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.850 -10.118 5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.462 -10.096 7.577 1.00 0.00 H new ATOM 527 N ALA A 37 -5.383 -10.221 9.555 1.00 0.00 N ATOM 528 CA ALA A 37 -5.352 -9.710 10.916 1.00 0.00 C ATOM 529 C ALA A 37 -4.038 -8.962 11.145 1.00 0.00 C ATOM 530 O ALA A 37 -4.002 -7.971 11.873 1.00 0.00 O ATOM 531 CB ALA A 37 -5.544 -10.866 11.899 1.00 0.00 C ATOM 0 H ALA A 37 -5.265 -11.231 9.476 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.166 -9.004 11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.521 -10.484 12.919 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.505 -11.346 11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.743 -11.594 11.766 1.00 0.00 H new ATOM 537 N ASP A 38 -2.989 -9.464 10.511 1.00 0.00 N ATOM 538 CA ASP A 38 -1.675 -8.855 10.637 1.00 0.00 C ATOM 539 C ASP A 38 -1.772 -7.369 10.288 1.00 0.00 C ATOM 540 O ASP A 38 -1.579 -6.512 11.150 1.00 0.00 O ATOM 541 CB ASP A 38 -0.674 -9.502 9.677 1.00 0.00 C ATOM 542 CG ASP A 38 -0.477 -11.007 9.866 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.433 -11.431 11.042 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.375 -11.701 8.831 1.00 0.00 O ATOM 0 H ASP A 38 -3.022 -10.286 9.908 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.334 -8.996 11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.004 -9.320 8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.290 -9.007 9.794 1.00 0.00 H new ATOM 549 N PHE A 39 -2.070 -7.108 9.024 1.00 0.00 N ATOM 550 CA PHE A 39 -2.195 -5.740 8.551 1.00 0.00 C ATOM 551 C PHE A 39 -3.205 -4.958 9.393 1.00 0.00 C ATOM 552 O PHE A 39 -2.977 -3.796 9.723 1.00 0.00 O ATOM 553 CB PHE A 39 -2.697 -5.809 7.108 1.00 0.00 C ATOM 554 CG PHE A 39 -2.840 -4.444 6.432 1.00 0.00 C ATOM 555 CD1 PHE A 39 -4.013 -3.762 6.519 1.00 0.00 C ATOM 556 CD2 PHE A 39 -1.794 -3.912 5.745 1.00 0.00 C ATOM 557 CE1 PHE A 39 -4.146 -2.495 5.893 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.927 -2.645 5.119 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.100 -1.963 5.206 1.00 0.00 C ATOM 0 H PHE A 39 -2.229 -7.821 8.312 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.233 -5.233 8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.010 -6.422 6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.664 -6.313 7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.844 -4.184 7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.862 -4.453 5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.078 -1.954 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.096 -2.223 4.573 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.201 -0.999 4.730 1.00 0.00 H new ATOM 569 N GLU A 40 -4.301 -5.629 9.717 1.00 0.00 N ATOM 570 CA GLU A 40 -5.348 -5.012 10.515 1.00 0.00 C ATOM 571 C GLU A 40 -4.758 -4.416 11.795 1.00 0.00 C ATOM 572 O GLU A 40 -4.882 -3.217 12.040 1.00 0.00 O ATOM 573 CB GLU A 40 -6.456 -6.016 10.837 1.00 0.00 C ATOM 574 CG GLU A 40 -7.526 -6.021 9.744 1.00 0.00 C ATOM 575 CD GLU A 40 -8.735 -6.860 10.164 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.089 -6.785 11.360 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.277 -7.557 9.280 1.00 0.00 O ATOM 0 H GLU A 40 -4.487 -6.593 9.442 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.793 -4.205 9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.029 -7.014 10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.911 -5.766 11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.843 -4.999 9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.106 -6.419 8.820 1.00 0.00 H new ATOM 584 N GLU A 41 -4.130 -5.281 12.577 1.00 0.00 N ATOM 585 CA GLU A 41 -3.521 -4.855 13.826 1.00 0.00 C ATOM 586 C GLU A 41 -2.579 -3.674 13.582 1.00 0.00 C ATOM 587 O GLU A 41 -2.481 -2.772 14.412 1.00 0.00 O ATOM 588 CB GLU A 41 -2.783 -6.014 14.499 1.00 0.00 C ATOM 589 CG GLU A 41 -3.402 -6.341 15.860 1.00 0.00 C ATOM 590 CD GLU A 41 -3.468 -5.094 16.746 1.00 0.00 C ATOM 591 OE1 GLU A 41 -2.440 -4.804 17.395 1.00 0.00 O ATOM 592 OE2 GLU A 41 -4.545 -4.460 16.753 1.00 0.00 O ATOM 0 H GLU A 41 -4.029 -6.275 12.370 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.313 -4.530 14.501 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.820 -6.895 13.858 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.732 -5.756 14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.404 -6.746 15.720 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.813 -7.113 16.355 1.00 0.00 H new ATOM 599 N LYS A 42 -1.910 -3.719 12.439 1.00 0.00 N ATOM 600 CA LYS A 42 -0.980 -2.663 12.075 1.00 0.00 C ATOM 601 C LYS A 42 -1.755 -1.366 11.835 1.00 0.00 C ATOM 602 O LYS A 42 -1.461 -0.341 12.447 1.00 0.00 O ATOM 603 CB LYS A 42 -0.119 -3.095 10.886 1.00 0.00 C ATOM 604 CG LYS A 42 0.931 -4.122 11.313 1.00 0.00 C ATOM 605 CD LYS A 42 2.146 -4.084 10.384 1.00 0.00 C ATOM 606 CE LYS A 42 3.039 -5.308 10.598 1.00 0.00 C ATOM 607 NZ LYS A 42 3.183 -6.070 9.337 1.00 0.00 N ATOM 0 H LYS A 42 -1.993 -4.470 11.753 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.283 -2.471 12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.754 -3.520 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.374 -2.224 10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.246 -3.921 12.337 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.493 -5.120 11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.814 -4.049 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.719 -3.175 10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.020 -4.992 10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.611 -5.948 11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.987 -6.725 9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.313 -6.610 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.351 -5.411 8.550 1.00 0.00 H new ATOM 621 N VAL A 43 -2.730 -1.454 10.943 1.00 0.00 N ATOM 622 CA VAL A 43 -3.550 -0.300 10.614 1.00 0.00 C ATOM 623 C VAL A 43 -3.972 0.404 11.905 1.00 0.00 C ATOM 624 O VAL A 43 -3.783 1.612 12.048 1.00 0.00 O ATOM 625 CB VAL A 43 -4.738 -0.731 9.752 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.706 0.434 9.532 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.265 -1.311 8.417 1.00 0.00 C ATOM 0 H VAL A 43 -2.971 -2.307 10.438 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.981 0.418 10.023 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.274 -1.515 10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.542 0.101 8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.081 0.783 10.494 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.186 1.249 9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.129 -1.610 7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.695 -0.557 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.634 -2.180 8.601 1.00 0.00 H new ATOM 637 N LYS A 44 -4.535 -0.380 12.812 1.00 0.00 N ATOM 638 CA LYS A 44 -4.985 0.154 14.087 1.00 0.00 C ATOM 639 C LYS A 44 -3.813 0.840 14.790 1.00 0.00 C ATOM 640 O LYS A 44 -3.930 1.984 15.227 1.00 0.00 O ATOM 641 CB LYS A 44 -5.648 -0.943 14.923 1.00 0.00 C ATOM 642 CG LYS A 44 -7.141 -1.046 14.608 1.00 0.00 C ATOM 643 CD LYS A 44 -7.826 -2.064 15.523 1.00 0.00 C ATOM 644 CE LYS A 44 -9.183 -2.484 14.956 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.889 -3.372 15.908 1.00 0.00 N ATOM 0 H LYS A 44 -4.690 -1.381 12.690 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.752 0.913 13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.164 -1.899 14.724 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.510 -0.730 15.983 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.610 -0.070 14.729 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.277 -1.338 13.567 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.189 -2.941 15.639 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.960 -1.634 16.516 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.789 -1.601 14.755 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.043 -2.998 14.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.809 -3.648 15.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.316 -4.223 16.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.039 -2.869 16.806 1.00 0.00 H new ATOM 659 N GLN A 45 -2.709 0.113 14.878 1.00 0.00 N ATOM 660 CA GLN A 45 -1.516 0.637 15.521 1.00 0.00 C ATOM 661 C GLN A 45 -1.171 2.016 14.955 1.00 0.00 C ATOM 662 O GLN A 45 -0.759 2.909 15.694 1.00 0.00 O ATOM 663 CB GLN A 45 -0.340 -0.329 15.367 1.00 0.00 C ATOM 664 CG GLN A 45 -0.043 -1.045 16.686 1.00 0.00 C ATOM 665 CD GLN A 45 0.866 -0.196 17.578 1.00 0.00 C ATOM 666 OE1 GLN A 45 0.463 0.805 18.146 1.00 0.00 O ATOM 667 NE2 GLN A 45 2.113 -0.651 17.668 1.00 0.00 N ATOM 0 H GLN A 45 -2.616 -0.835 14.514 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.718 0.743 16.587 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.566 -1.063 14.594 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.544 0.218 15.039 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.977 -1.256 17.208 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.433 -2.005 16.484 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.385 -1.496 17.166 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.797 -0.155 18.239 1.00 0.00 H new ATOM 676 N LEU A 46 -1.351 2.146 13.649 1.00 0.00 N ATOM 677 CA LEU A 46 -1.064 3.401 12.975 1.00 0.00 C ATOM 678 C LEU A 46 -1.993 4.490 13.516 1.00 0.00 C ATOM 679 O LEU A 46 -1.533 5.466 14.107 1.00 0.00 O ATOM 680 CB LEU A 46 -1.141 3.225 11.457 1.00 0.00 C ATOM 681 CG LEU A 46 0.126 2.702 10.777 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.206 2.028 9.444 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.160 3.817 10.614 1.00 0.00 C ATOM 0 H LEU A 46 -1.692 1.403 13.039 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.043 3.720 13.184 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.959 2.541 11.232 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.398 4.186 11.012 1.00 0.00 H new ATOM 0 HG LEU A 46 0.571 1.942 11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.712 1.665 8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.881 1.190 9.618 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.686 2.748 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.051 3.419 10.128 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.740 4.616 10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.427 4.212 11.594 1.00 0.00 H new ATOM 695 N ILE A 47 -3.283 4.286 13.294 1.00 0.00 N ATOM 696 CA ILE A 47 -4.281 5.238 13.752 1.00 0.00 C ATOM 697 C ILE A 47 -4.006 5.595 15.214 1.00 0.00 C ATOM 698 O ILE A 47 -4.347 6.688 15.665 1.00 0.00 O ATOM 699 CB ILE A 47 -5.690 4.697 13.505 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.064 4.794 12.025 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.712 5.400 14.401 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.019 3.667 11.626 1.00 0.00 C ATOM 0 H ILE A 47 -3.660 3.475 12.803 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.216 6.164 13.180 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.701 3.640 13.771 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.531 5.759 11.827 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.162 4.745 11.414 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.706 4.997 14.205 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.453 5.235 15.447 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.706 6.469 14.190 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.269 3.759 10.569 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.540 2.704 11.803 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.930 3.734 12.221 1.00 0.00 H new ATOM 714 N ASP A 48 -3.391 4.653 15.914 1.00 0.00 N ATOM 715 CA ASP A 48 -3.066 4.855 17.316 1.00 0.00 C ATOM 716 C ASP A 48 -1.751 5.628 17.424 1.00 0.00 C ATOM 717 O ASP A 48 -1.587 6.461 18.314 1.00 0.00 O ATOM 718 CB ASP A 48 -2.890 3.518 18.038 1.00 0.00 C ATOM 719 CG ASP A 48 -3.812 3.306 19.241 1.00 0.00 C ATOM 720 OD1 ASP A 48 -3.520 3.914 20.294 1.00 0.00 O ATOM 721 OD2 ASP A 48 -4.787 2.541 19.080 1.00 0.00 O ATOM 0 H ASP A 48 -3.109 3.748 15.537 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.885 5.408 17.776 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.058 2.712 17.324 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.856 3.437 18.373 1.00 0.00 H new ATOM 726 N ILE A 49 -0.845 5.324 16.506 1.00 0.00 N ATOM 727 CA ILE A 49 0.451 5.980 16.487 1.00 0.00 C ATOM 728 C ILE A 49 0.324 7.331 15.779 1.00 0.00 C ATOM 729 O ILE A 49 0.377 8.379 16.420 1.00 0.00 O ATOM 730 CB ILE A 49 1.508 5.060 15.872 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.627 3.756 16.663 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.853 5.779 15.745 1.00 0.00 C ATOM 733 CD1 ILE A 49 1.938 2.579 15.736 1.00 0.00 C ATOM 0 H ILE A 49 -0.983 4.632 15.770 1.00 0.00 H new ATOM 0 HA ILE A 49 0.790 6.183 17.503 1.00 0.00 H new ATOM 0 HB ILE A 49 1.187 4.796 14.864 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.413 3.851 17.412 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.697 3.566 17.199 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.587 5.103 15.305 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.738 6.655 15.107 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.193 6.091 16.732 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.017 1.664 16.323 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.138 2.472 15.004 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.880 2.762 15.220 1.00 0.00 H new ATOM 745 N THR A 50 0.159 7.261 14.466 1.00 0.00 N ATOM 746 CA THR A 50 0.024 8.465 13.664 1.00 0.00 C ATOM 747 C THR A 50 -1.160 9.302 14.153 1.00 0.00 C ATOM 748 O THR A 50 -0.987 10.228 14.943 1.00 0.00 O ATOM 749 CB THR A 50 -0.092 8.046 12.197 1.00 0.00 C ATOM 750 OG1 THR A 50 -0.620 6.724 12.255 1.00 0.00 O ATOM 751 CG2 THR A 50 1.273 7.874 11.527 1.00 0.00 C ATOM 0 H THR A 50 0.116 6.389 13.938 1.00 0.00 H new ATOM 0 HA THR A 50 0.899 9.107 13.765 1.00 0.00 H new ATOM 0 HB THR A 50 -0.672 8.790 11.652 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.337 6.687 12.922 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.133 7.576 10.488 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.818 8.817 11.564 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.841 7.106 12.051 1.00 0.00 H new ATOM 759 N GLY A 51 -2.338 8.944 13.662 1.00 0.00 N ATOM 760 CA GLY A 51 -3.551 9.650 14.039 1.00 0.00 C ATOM 761 C GLY A 51 -4.453 9.878 12.824 1.00 0.00 C ATOM 762 O GLY A 51 -5.606 10.280 12.969 1.00 0.00 O ATOM 0 H GLY A 51 -2.478 8.175 13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.090 9.077 14.794 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.293 10.608 14.490 1.00 0.00 H new ATOM 766 N LYS A 52 -3.892 9.613 11.653 1.00 0.00 N ATOM 767 CA LYS A 52 -4.631 9.784 10.414 1.00 0.00 C ATOM 768 C LYS A 52 -5.874 8.892 10.439 1.00 0.00 C ATOM 769 O LYS A 52 -6.197 8.301 11.468 1.00 0.00 O ATOM 770 CB LYS A 52 -3.721 9.538 9.209 1.00 0.00 C ATOM 771 CG LYS A 52 -2.482 10.434 9.266 1.00 0.00 C ATOM 772 CD LYS A 52 -2.754 11.788 8.607 1.00 0.00 C ATOM 773 CE LYS A 52 -1.561 12.234 7.759 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.910 13.434 6.966 1.00 0.00 N ATOM 0 H LYS A 52 -2.935 9.281 11.536 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.979 10.812 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.417 8.492 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.271 9.730 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.185 10.584 10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.649 9.942 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.644 11.720 7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.959 12.535 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.710 12.452 8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.258 11.426 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.200 13.575 6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.847 13.304 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.929 14.268 7.588 1.00 0.00 H new ATOM 788 N ASN A 53 -6.536 8.823 9.293 1.00 0.00 N ATOM 789 CA ASN A 53 -7.736 8.013 9.171 1.00 0.00 C ATOM 790 C ASN A 53 -7.352 6.608 8.702 1.00 0.00 C ATOM 791 O ASN A 53 -6.321 6.425 8.057 1.00 0.00 O ATOM 792 CB ASN A 53 -8.699 8.607 8.141 1.00 0.00 C ATOM 793 CG ASN A 53 -9.640 9.623 8.793 1.00 0.00 C ATOM 794 OD1 ASN A 53 -10.362 9.327 9.730 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.590 10.835 8.246 1.00 0.00 N ATOM 0 H ASN A 53 -6.264 9.314 8.442 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.223 7.983 10.146 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.133 9.089 7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.282 7.809 7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.179 11.584 8.610 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.962 11.015 7.463 1.00 0.00 H new ATOM 802 N GLN A 54 -8.202 5.651 9.045 1.00 0.00 N ATOM 803 CA GLN A 54 -7.965 4.268 8.668 1.00 0.00 C ATOM 804 C GLN A 54 -7.654 4.172 7.173 1.00 0.00 C ATOM 805 O GLN A 54 -6.563 3.754 6.788 1.00 0.00 O ATOM 806 CB GLN A 54 -9.159 3.386 9.037 1.00 0.00 C ATOM 807 CG GLN A 54 -8.779 1.905 9.002 1.00 0.00 C ATOM 808 CD GLN A 54 -9.761 1.066 9.822 1.00 0.00 C ATOM 809 OE1 GLN A 54 -9.574 0.823 11.003 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.815 0.640 9.133 1.00 0.00 N ATOM 0 H GLN A 54 -9.056 5.806 9.580 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.101 3.903 9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.516 3.650 10.032 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.980 3.571 8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.768 1.553 7.970 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.770 1.776 9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.910 0.880 8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.529 0.073 9.591 1.00 0.00 H new ATOM 819 N ASP A 55 -8.632 4.565 6.371 1.00 0.00 N ATOM 820 CA ASP A 55 -8.476 4.529 4.927 1.00 0.00 C ATOM 821 C ASP A 55 -7.071 5.007 4.557 1.00 0.00 C ATOM 822 O ASP A 55 -6.319 4.288 3.902 1.00 0.00 O ATOM 823 CB ASP A 55 -9.486 5.451 4.240 1.00 0.00 C ATOM 824 CG ASP A 55 -10.949 5.026 4.380 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.182 3.798 4.418 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.801 5.938 4.444 1.00 0.00 O ATOM 0 H ASP A 55 -9.536 4.910 6.694 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.641 3.504 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.374 6.455 4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.240 5.509 3.180 1.00 0.00 H new ATOM 831 N GLU A 56 -6.759 6.219 4.994 1.00 0.00 N ATOM 832 CA GLU A 56 -5.458 6.802 4.717 1.00 0.00 C ATOM 833 C GLU A 56 -4.345 5.878 5.215 1.00 0.00 C ATOM 834 O GLU A 56 -3.449 5.513 4.455 1.00 0.00 O ATOM 835 CB GLU A 56 -5.336 8.193 5.344 1.00 0.00 C ATOM 836 CG GLU A 56 -6.350 9.161 4.730 1.00 0.00 C ATOM 837 CD GLU A 56 -5.683 10.074 3.700 1.00 0.00 C ATOM 838 OE1 GLU A 56 -5.004 9.522 2.807 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.866 11.304 3.829 1.00 0.00 O ATOM 0 H GLU A 56 -7.385 6.813 5.538 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.355 6.915 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.497 8.126 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.326 8.576 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.154 8.598 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.804 9.764 5.516 1.00 0.00 H new ATOM 846 N CYS A 57 -4.438 5.525 6.489 1.00 0.00 N ATOM 847 CA CYS A 57 -3.450 4.649 7.097 1.00 0.00 C ATOM 848 C CYS A 57 -3.312 3.401 6.224 1.00 0.00 C ATOM 849 O CYS A 57 -2.238 3.128 5.691 1.00 0.00 O ATOM 850 CB CYS A 57 -3.818 4.299 8.540 1.00 0.00 C ATOM 851 SG CYS A 57 -3.581 5.758 9.619 1.00 0.00 S ATOM 0 H CYS A 57 -5.182 5.830 7.117 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.489 5.161 7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.854 3.965 8.589 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.200 3.473 8.891 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.545 6.607 9.419 1.00 0.00 H new ATOM 857 N VAL A 58 -4.415 2.676 6.104 1.00 0.00 N ATOM 858 CA VAL A 58 -4.430 1.463 5.305 1.00 0.00 C ATOM 859 C VAL A 58 -3.647 1.700 4.012 1.00 0.00 C ATOM 860 O VAL A 58 -2.783 0.902 3.651 1.00 0.00 O ATOM 861 CB VAL A 58 -5.873 1.018 5.057 1.00 0.00 C ATOM 862 CG1 VAL A 58 -5.927 -0.129 4.045 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.559 0.626 6.367 1.00 0.00 C ATOM 0 H VAL A 58 -5.305 2.906 6.547 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.940 0.648 5.838 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.416 1.863 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.964 -0.426 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.495 0.199 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.360 -0.978 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.583 0.314 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.015 -0.197 6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.569 1.481 7.043 1.00 0.00 H new ATOM 873 N ILE A 59 -3.976 2.799 3.351 1.00 0.00 N ATOM 874 CA ILE A 59 -3.314 3.151 2.106 1.00 0.00 C ATOM 875 C ILE A 59 -1.806 3.245 2.345 1.00 0.00 C ATOM 876 O ILE A 59 -1.019 2.650 1.610 1.00 0.00 O ATOM 877 CB ILE A 59 -3.924 4.424 1.516 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.407 4.225 1.198 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.134 4.895 0.293 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.167 5.551 1.277 1.00 0.00 C ATOM 0 H ILE A 59 -4.693 3.458 3.654 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.471 2.374 1.358 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.858 5.213 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.515 3.799 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.840 3.511 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.589 5.801 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.104 5.103 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.146 4.116 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.219 5.382 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.077 5.962 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.747 6.255 0.558 1.00 0.00 H new ATOM 892 N ALA A 60 -1.447 3.997 3.375 1.00 0.00 N ATOM 893 CA ALA A 60 -0.047 4.176 3.720 1.00 0.00 C ATOM 894 C ALA A 60 0.599 2.807 3.941 1.00 0.00 C ATOM 895 O ALA A 60 1.520 2.428 3.220 1.00 0.00 O ATOM 896 CB ALA A 60 0.064 5.079 4.950 1.00 0.00 C ATOM 0 H ALA A 60 -2.102 4.490 3.982 1.00 0.00 H new ATOM 0 HA ALA A 60 0.489 4.665 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.114 5.213 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.383 6.049 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.460 4.619 5.788 1.00 0.00 H new ATOM 902 N LEU A 61 0.089 2.102 4.941 1.00 0.00 N ATOM 903 CA LEU A 61 0.605 0.783 5.266 1.00 0.00 C ATOM 904 C LEU A 61 0.768 -0.027 3.978 1.00 0.00 C ATOM 905 O LEU A 61 1.871 -0.462 3.650 1.00 0.00 O ATOM 906 CB LEU A 61 -0.282 0.104 6.311 1.00 0.00 C ATOM 907 CG LEU A 61 0.350 -1.066 7.068 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.717 -0.678 7.635 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.593 -1.590 8.153 1.00 0.00 C ATOM 0 H LEU A 61 -0.676 2.419 5.536 1.00 0.00 H new ATOM 0 HA LEU A 61 1.592 0.861 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.594 0.855 7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.184 -0.254 5.815 1.00 0.00 H new ATOM 0 HG LEU A 61 0.514 -1.881 6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.144 -1.527 8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.381 -0.390 6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.601 0.161 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.120 -2.421 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.811 -0.792 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.521 -1.931 7.695 1.00 0.00 H new ATOM 921 N HIS A 62 -0.346 -0.206 3.284 1.00 0.00 N ATOM 922 CA HIS A 62 -0.340 -0.956 2.039 1.00 0.00 C ATOM 923 C HIS A 62 0.743 -0.403 1.111 1.00 0.00 C ATOM 924 O HIS A 62 1.525 -1.162 0.542 1.00 0.00 O ATOM 925 CB HIS A 62 -1.729 -0.955 1.398 1.00 0.00 C ATOM 926 CG HIS A 62 -1.780 -1.618 0.042 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.269 -2.898 -0.149 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.398 -1.165 -1.187 1.00 0.00 C ATOM 929 CE1 HIS A 62 -2.181 -3.192 -1.438 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.640 -2.117 -2.079 1.00 0.00 N ATOM 0 H HIS A 62 -1.259 0.155 3.560 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.097 -2.000 2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.426 -1.462 2.065 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.072 0.075 1.301 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.971 -0.196 -1.398 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.484 -4.120 -1.900 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.452 -2.055 -3.080 1.00 0.00 H new ATOM 938 N ASP A 63 0.752 0.917 0.987 1.00 0.00 N ATOM 939 CA ASP A 63 1.726 1.581 0.137 1.00 0.00 C ATOM 940 C ASP A 63 3.087 0.900 0.300 1.00 0.00 C ATOM 941 O ASP A 63 3.718 0.524 -0.687 1.00 0.00 O ATOM 942 CB ASP A 63 1.884 3.052 0.527 1.00 0.00 C ATOM 943 CG ASP A 63 2.212 3.996 -0.632 1.00 0.00 C ATOM 944 OD1 ASP A 63 2.139 3.524 -1.787 1.00 0.00 O ATOM 945 OD2 ASP A 63 2.529 5.168 -0.336 1.00 0.00 O ATOM 0 H ASP A 63 0.101 1.543 1.460 1.00 0.00 H new ATOM 0 HA ASP A 63 1.375 1.516 -0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.961 3.388 1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.673 3.131 1.275 1.00 0.00 H new ATOM 950 N CYS A 64 3.498 0.762 1.552 1.00 0.00 N ATOM 951 CA CYS A 64 4.772 0.134 1.856 1.00 0.00 C ATOM 952 C CYS A 64 4.656 -1.361 1.550 1.00 0.00 C ATOM 953 O CYS A 64 5.316 -1.866 0.643 1.00 0.00 O ATOM 954 CB CYS A 64 5.198 0.389 3.303 1.00 0.00 C ATOM 955 SG CYS A 64 6.844 -0.349 3.610 1.00 0.00 S ATOM 0 H CYS A 64 2.971 1.074 2.368 1.00 0.00 H new ATOM 0 HA CYS A 64 5.553 0.572 1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 64 5.229 1.461 3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.465 -0.039 3.987 1.00 0.00 H new ATOM 0 HG CYS A 64 7.093 -1.246 2.703 1.00 0.00 H new ATOM 961 N ASN A 65 3.811 -2.026 2.324 1.00 0.00 N ATOM 962 CA ASN A 65 3.599 -3.453 2.147 1.00 0.00 C ATOM 963 C ASN A 65 3.027 -4.043 3.438 1.00 0.00 C ATOM 964 O ASN A 65 2.321 -5.049 3.405 1.00 0.00 O ATOM 965 CB ASN A 65 4.915 -4.171 1.842 1.00 0.00 C ATOM 966 CG ASN A 65 4.977 -4.600 0.374 1.00 0.00 C ATOM 967 OD1 ASN A 65 4.014 -4.504 -0.369 1.00 0.00 O ATOM 968 ND2 ASN A 65 6.161 -5.077 0.000 1.00 0.00 N ATOM 0 H ASN A 65 3.265 -1.603 3.075 1.00 0.00 H new ATOM 0 HA ASN A 65 2.911 -3.591 1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.754 -3.513 2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.014 -5.046 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.305 -5.390 -0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.925 -5.130 0.673 1.00 0.00 H new ATOM 975 N GLY A 66 3.354 -3.391 4.545 1.00 0.00 N ATOM 976 CA GLY A 66 2.882 -3.839 5.844 1.00 0.00 C ATOM 977 C GLY A 66 3.895 -3.504 6.940 1.00 0.00 C ATOM 978 O GLY A 66 4.185 -4.337 7.798 1.00 0.00 O ATOM 0 H GLY A 66 3.940 -2.556 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.926 -3.367 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.708 -4.915 5.821 1.00 0.00 H new ATOM 982 N ASP A 67 4.405 -2.283 6.877 1.00 0.00 N ATOM 983 CA ASP A 67 5.380 -1.828 7.854 1.00 0.00 C ATOM 984 C ASP A 67 4.888 -0.527 8.491 1.00 0.00 C ATOM 985 O ASP A 67 5.091 0.554 7.940 1.00 0.00 O ATOM 986 CB ASP A 67 6.732 -1.550 7.195 1.00 0.00 C ATOM 987 CG ASP A 67 7.894 -2.396 7.720 1.00 0.00 C ATOM 988 OD1 ASP A 67 8.167 -2.293 8.936 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.482 -3.127 6.894 1.00 0.00 O ATOM 0 H ASP A 67 4.162 -1.595 6.165 1.00 0.00 H new ATOM 0 HA ASP A 67 5.498 -2.612 8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.637 -1.716 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.977 -0.497 7.334 1.00 0.00 H new ATOM 994 N VAL A 68 4.250 -0.674 9.643 1.00 0.00 N ATOM 995 CA VAL A 68 3.728 0.477 10.361 1.00 0.00 C ATOM 996 C VAL A 68 4.778 1.589 10.367 1.00 0.00 C ATOM 997 O VAL A 68 4.455 2.755 10.145 1.00 0.00 O ATOM 998 CB VAL A 68 3.289 0.061 11.767 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.315 1.254 12.724 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.904 -0.589 11.739 1.00 0.00 C ATOM 0 H VAL A 68 4.083 -1.572 10.097 1.00 0.00 H new ATOM 0 HA VAL A 68 2.843 0.870 9.861 1.00 0.00 H new ATOM 0 HB VAL A 68 3.999 -0.680 12.135 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.999 0.932 13.716 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.327 1.655 12.778 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.638 2.027 12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.616 -0.875 12.751 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.177 0.120 11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.931 -1.475 11.105 1.00 0.00 H new ATOM 1010 N ASN A 69 6.015 1.189 10.624 1.00 0.00 N ATOM 1011 CA ASN A 69 7.115 2.138 10.662 1.00 0.00 C ATOM 1012 C ASN A 69 7.223 2.842 9.308 1.00 0.00 C ATOM 1013 O ASN A 69 7.090 4.062 9.227 1.00 0.00 O ATOM 1014 CB ASN A 69 8.444 1.430 10.934 1.00 0.00 C ATOM 1015 CG ASN A 69 8.281 0.350 12.005 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.904 -0.778 11.734 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.585 0.757 13.234 1.00 0.00 N ATOM 0 H ASN A 69 6.280 0.221 10.808 1.00 0.00 H new ATOM 0 HA ASN A 69 6.916 2.852 11.461 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.816 0.981 10.013 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.188 2.158 11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.508 0.110 14.019 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.895 1.716 13.392 1.00 0.00 H new ATOM 1024 N ARG A 70 7.463 2.043 8.279 1.00 0.00 N ATOM 1025 CA ARG A 70 7.590 2.574 6.933 1.00 0.00 C ATOM 1026 C ARG A 70 6.389 3.460 6.596 1.00 0.00 C ATOM 1027 O ARG A 70 6.554 4.577 6.109 1.00 0.00 O ATOM 1028 CB ARG A 70 7.688 1.447 5.903 1.00 0.00 C ATOM 1029 CG ARG A 70 8.867 0.523 6.212 1.00 0.00 C ATOM 1030 CD ARG A 70 10.087 0.887 5.363 1.00 0.00 C ATOM 1031 NE ARG A 70 11.212 -0.020 5.677 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.419 0.052 5.100 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.665 0.990 4.175 1.00 0.00 N ATOM 1034 NH2 ARG A 70 13.381 -0.814 5.448 1.00 0.00 N ATOM 0 H ARG A 70 7.573 1.031 8.351 1.00 0.00 H new ATOM 0 HA ARG A 70 8.505 3.166 6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.762 0.872 5.899 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.805 1.870 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.121 0.594 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.582 -0.512 6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.837 0.817 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.378 1.920 5.554 1.00 0.00 H new ATOM 0 HE ARG A 70 11.059 -0.746 6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.933 1.649 3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.584 1.045 3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.194 -1.528 6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.300 -0.759 5.009 1.00 0.00 H new ATOM 1048 N ALA A 71 5.206 2.929 6.870 1.00 0.00 N ATOM 1049 CA ALA A 71 3.978 3.658 6.603 1.00 0.00 C ATOM 1050 C ALA A 71 4.095 5.072 7.174 1.00 0.00 C ATOM 1051 O ALA A 71 3.880 6.052 6.463 1.00 0.00 O ATOM 1052 CB ALA A 71 2.791 2.889 7.186 1.00 0.00 C ATOM 0 H ALA A 71 5.072 2.002 7.274 1.00 0.00 H new ATOM 0 HA ALA A 71 3.811 3.749 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.870 3.436 6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.735 1.903 6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.922 2.780 8.263 1.00 0.00 H new ATOM 1058 N ILE A 72 4.435 5.133 8.453 1.00 0.00 N ATOM 1059 CA ILE A 72 4.583 6.411 9.128 1.00 0.00 C ATOM 1060 C ILE A 72 5.408 7.354 8.250 1.00 0.00 C ATOM 1061 O ILE A 72 4.979 8.469 7.956 1.00 0.00 O ATOM 1062 CB ILE A 72 5.162 6.213 10.530 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.125 5.591 11.468 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.721 7.525 11.084 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.795 4.683 12.501 1.00 0.00 C ATOM 0 H ILE A 72 4.612 4.318 9.040 1.00 0.00 H new ATOM 0 HA ILE A 72 3.610 6.880 9.274 1.00 0.00 H new ATOM 0 HB ILE A 72 5.995 5.513 10.459 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.570 6.379 11.977 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.403 5.017 10.888 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.126 7.355 12.082 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.512 7.889 10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.924 8.266 11.137 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.036 4.254 13.155 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.328 3.882 11.990 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.499 5.266 13.096 1.00 0.00 H new ATOM 1077 N ASN A 73 6.578 6.872 7.856 1.00 0.00 N ATOM 1078 CA ASN A 73 7.467 7.658 7.018 1.00 0.00 C ATOM 1079 C ASN A 73 6.678 8.227 5.837 1.00 0.00 C ATOM 1080 O ASN A 73 6.984 9.312 5.346 1.00 0.00 O ATOM 1081 CB ASN A 73 8.600 6.797 6.457 1.00 0.00 C ATOM 1082 CG ASN A 73 9.925 7.113 7.154 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.663 8.005 6.768 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.185 6.334 8.201 1.00 0.00 N ATOM 0 H ASN A 73 6.931 5.947 8.102 1.00 0.00 H new ATOM 0 HA ASN A 73 7.888 8.455 7.630 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.359 5.742 6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.698 6.971 5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.045 6.466 8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.524 5.605 8.471 1.00 0.00 H new ATOM 1091 N VAL A 74 5.676 7.469 5.416 1.00 0.00 N ATOM 1092 CA VAL A 74 4.840 7.884 4.302 1.00 0.00 C ATOM 1093 C VAL A 74 3.749 8.827 4.813 1.00 0.00 C ATOM 1094 O VAL A 74 3.595 9.937 4.305 1.00 0.00 O ATOM 1095 CB VAL A 74 4.280 6.656 3.582 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.444 7.066 2.368 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.402 5.698 3.177 1.00 0.00 C ATOM 0 H VAL A 74 5.424 6.570 5.826 1.00 0.00 H new ATOM 0 HA VAL A 74 5.428 8.434 3.567 1.00 0.00 H new ATOM 0 HB VAL A 74 3.626 6.130 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.058 6.174 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.612 7.690 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.066 7.626 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.976 4.834 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.094 6.210 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.937 5.367 4.067 1.00 0.00 H new ATOM 1107 N LEU A 75 3.020 8.351 5.811 1.00 0.00 N ATOM 1108 CA LEU A 75 1.947 9.138 6.396 1.00 0.00 C ATOM 1109 C LEU A 75 2.448 10.560 6.658 1.00 0.00 C ATOM 1110 O LEU A 75 1.879 11.525 6.151 1.00 0.00 O ATOM 1111 CB LEU A 75 1.390 8.443 7.641 1.00 0.00 C ATOM 1112 CG LEU A 75 0.314 7.385 7.393 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.372 6.284 8.454 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.073 8.023 7.305 1.00 0.00 C ATOM 0 H LEU A 75 3.151 7.430 6.230 1.00 0.00 H new ATOM 0 HA LEU A 75 1.110 9.217 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.218 7.973 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.978 9.204 8.304 1.00 0.00 H new ATOM 0 HG LEU A 75 0.514 6.915 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.404 5.545 8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.349 5.802 8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.212 6.720 9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.819 7.248 7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.297 8.536 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.092 8.740 6.484 1.00 0.00 H new ATOM 1126 N LEU A 76 3.508 10.643 7.449 1.00 0.00 N ATOM 1127 CA LEU A 76 4.092 11.931 7.784 1.00 0.00 C ATOM 1128 C LEU A 76 4.395 12.699 6.496 1.00 0.00 C ATOM 1129 O LEU A 76 3.808 13.749 6.242 1.00 0.00 O ATOM 1130 CB LEU A 76 5.309 11.747 8.692 1.00 0.00 C ATOM 1131 CG LEU A 76 5.041 11.096 10.050 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.319 10.485 10.627 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.394 12.090 11.017 1.00 0.00 C ATOM 0 H LEU A 76 3.977 9.840 7.867 1.00 0.00 H new ATOM 0 HA LEU A 76 3.386 12.533 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.045 11.144 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.761 12.724 8.863 1.00 0.00 H new ATOM 0 HG LEU A 76 4.332 10.281 9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.100 10.029 11.593 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.699 9.725 9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.069 11.265 10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.214 11.601 11.975 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.059 12.941 11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.447 12.436 10.603 1.00 0.00 H new ATOM 1145 N GLU A 77 5.313 12.146 5.717 1.00 0.00 N ATOM 1146 CA GLU A 77 5.702 12.765 4.462 1.00 0.00 C ATOM 1147 C GLU A 77 4.474 13.332 3.747 1.00 0.00 C ATOM 1148 O GLU A 77 4.437 14.515 3.411 1.00 0.00 O ATOM 1149 CB GLU A 77 6.448 11.773 3.568 1.00 0.00 C ATOM 1150 CG GLU A 77 7.962 11.939 3.708 1.00 0.00 C ATOM 1151 CD GLU A 77 8.438 11.480 5.088 1.00 0.00 C ATOM 1152 OE1 GLU A 77 8.124 12.195 6.064 1.00 0.00 O ATOM 1153 OE2 GLU A 77 9.107 10.424 5.136 1.00 0.00 O ATOM 0 H GLU A 77 5.799 11.275 5.931 1.00 0.00 H new ATOM 0 HA GLU A 77 6.383 13.588 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.164 10.755 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.157 11.925 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.468 11.362 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.233 12.984 3.555 1.00 0.00 H new ATOM 1160 N GLY A 78 3.498 12.461 3.534 1.00 0.00 N ATOM 1161 CA GLY A 78 2.272 12.860 2.865 1.00 0.00 C ATOM 1162 C GLY A 78 1.854 14.271 3.282 1.00 0.00 C ATOM 1163 O GLY A 78 1.755 15.166 2.443 1.00 0.00 O ATOM 0 H GLY A 78 3.532 11.481 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.414 12.823 1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.476 12.155 3.106 1.00 0.00 H new ATOM 1167 N ASN A 79 1.620 14.427 4.577 1.00 0.00 N ATOM 1168 CA ASN A 79 1.215 15.715 5.114 1.00 0.00 C ATOM 1169 C ASN A 79 1.472 15.736 6.622 1.00 0.00 C ATOM 1170 O ASN A 79 1.342 14.713 7.293 1.00 0.00 O ATOM 1171 CB ASN A 79 -0.277 15.963 4.885 1.00 0.00 C ATOM 1172 CG ASN A 79 -0.702 15.502 3.489 1.00 0.00 C ATOM 1173 OD1 ASN A 79 -0.491 16.176 2.494 1.00 0.00 O ATOM 1174 ND2 ASN A 79 -1.310 14.320 3.471 1.00 0.00 N ATOM 0 H ASN A 79 1.703 13.683 5.270 1.00 0.00 H new ATOM 0 HA ASN A 79 1.791 16.489 4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.857 15.432 5.640 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.495 17.024 5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.632 13.925 2.587 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.455 13.808 4.341 1.00 0.00 H new ATOM 1181 N PRO A 80 1.841 16.944 7.126 1.00 0.00 N ATOM 1182 CA PRO A 80 2.117 17.113 8.542 1.00 0.00 C ATOM 1183 C PRO A 80 0.821 17.132 9.355 1.00 0.00 C ATOM 1184 O PRO A 80 0.760 16.569 10.447 1.00 0.00 O ATOM 1185 CB PRO A 80 2.898 18.413 8.639 1.00 0.00 C ATOM 1186 CG PRO A 80 2.630 19.158 7.341 1.00 0.00 C ATOM 1187 CD PRO A 80 2.005 18.178 6.362 1.00 0.00 C ATOM 0 HA PRO A 80 2.692 16.287 8.959 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.575 18.999 9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.963 18.220 8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.962 20.001 7.516 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.557 19.564 6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.048 18.545 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.645 18.024 5.493 1.00 0.00 H new ATOM 1195 N ASP A 81 -0.184 17.785 8.790 1.00 0.00 N ATOM 1196 CA ASP A 81 -1.476 17.885 9.449 1.00 0.00 C ATOM 1197 C ASP A 81 -2.552 18.195 8.407 1.00 0.00 C ATOM 1198 O ASP A 81 -3.597 17.547 8.376 1.00 0.00 O ATOM 1199 CB ASP A 81 -1.481 19.011 10.484 1.00 0.00 C ATOM 1200 CG ASP A 81 -2.033 18.625 11.858 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -2.180 17.405 12.087 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -2.296 19.558 12.647 1.00 0.00 O ATOM 0 H ASP A 81 -0.130 18.250 7.884 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.674 16.936 9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.461 19.374 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.070 19.841 10.093 1.00 0.00 H new ATOM 1207 N THR A 82 -2.260 19.188 7.579 1.00 0.00 N ATOM 1208 CA THR A 82 -3.190 19.593 6.539 1.00 0.00 C ATOM 1209 C THR A 82 -4.490 20.111 7.157 1.00 0.00 C ATOM 1210 O THR A 82 -4.700 21.320 7.246 1.00 0.00 O ATOM 1211 CB THR A 82 -3.396 18.402 5.600 1.00 0.00 C ATOM 1212 OG1 THR A 82 -2.456 18.620 4.551 1.00 0.00 O ATOM 1213 CG2 THR A 82 -4.755 18.440 4.897 1.00 0.00 C ATOM 0 H THR A 82 -1.392 19.724 7.608 1.00 0.00 H new ATOM 0 HA THR A 82 -2.792 20.423 5.954 1.00 0.00 H new ATOM 0 HB THR A 82 -3.305 17.474 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.520 17.892 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.851 17.573 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.551 18.422 5.642 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.833 19.352 4.305 1.00 0.00 H new ATOM 1221 N HIS A 83 -5.328 19.172 7.569 1.00 0.00 N ATOM 1222 CA HIS A 83 -6.601 19.518 8.176 1.00 0.00 C ATOM 1223 C HIS A 83 -6.711 18.857 9.551 1.00 0.00 C ATOM 1224 O HIS A 83 -6.178 17.769 9.765 1.00 0.00 O ATOM 1225 CB HIS A 83 -7.763 19.155 7.249 1.00 0.00 C ATOM 1226 CG HIS A 83 -9.032 19.926 7.523 1.00 0.00 C ATOM 1227 ND1 HIS A 83 -10.274 19.321 7.604 1.00 0.00 N ATOM 1228 CD2 HIS A 83 -9.237 21.258 7.733 1.00 0.00 C ATOM 1229 CE1 HIS A 83 -11.179 20.256 7.852 1.00 0.00 C ATOM 1230 NE2 HIS A 83 -10.535 21.456 7.931 1.00 0.00 N ATOM 0 H HIS A 83 -5.150 18.170 7.494 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.655 20.597 8.324 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -7.459 19.330 6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.970 18.089 7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -8.473 22.022 7.737 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.240 20.096 7.971 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.978 22.357 8.112 1.00 0.00 H new ATOM 1238 N SER A 84 -7.406 19.541 10.448 1.00 0.00 N ATOM 1239 CA SER A 84 -7.592 19.034 11.797 1.00 0.00 C ATOM 1240 C SER A 84 -6.262 19.056 12.553 1.00 0.00 C ATOM 1241 O SER A 84 -5.204 19.229 11.950 1.00 0.00 O ATOM 1242 CB SER A 84 -8.168 17.616 11.777 1.00 0.00 C ATOM 1243 OG SER A 84 -9.394 17.528 12.497 1.00 0.00 O ATOM 0 H SER A 84 -7.847 20.443 10.267 1.00 0.00 H new ATOM 0 HA SER A 84 -8.304 19.680 12.310 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.331 17.305 10.745 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.444 16.924 12.208 1.00 0.00 H new ATOM 0 HG SER A 84 -9.730 16.608 12.459 1.00 0.00 H new ATOM 1249 N TRP A 85 -6.359 18.878 13.862 1.00 0.00 N ATOM 1250 CA TRP A 85 -5.177 18.876 14.707 1.00 0.00 C ATOM 1251 C TRP A 85 -5.326 17.744 15.725 1.00 0.00 C ATOM 1252 O TRP A 85 -6.436 17.431 16.153 1.00 0.00 O ATOM 1253 CB TRP A 85 -4.967 20.243 15.360 1.00 0.00 C ATOM 1254 CG TRP A 85 -3.819 21.053 14.754 1.00 0.00 C ATOM 1255 CD1 TRP A 85 -3.894 22.054 13.866 1.00 0.00 C ATOM 1256 CD2 TRP A 85 -2.412 20.888 15.029 1.00 0.00 C ATOM 1257 NE1 TRP A 85 -2.644 22.544 13.550 1.00 0.00 N ATOM 1258 CE2 TRP A 85 -1.714 21.813 14.280 1.00 0.00 C ATOM 1259 CE3 TRP A 85 -1.751 19.988 15.883 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 -0.319 21.927 14.309 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 -0.357 20.115 15.901 1.00 0.00 C ATOM 1262 CH2 TRP A 85 0.361 21.040 15.152 1.00 0.00 C ATOM 0 H TRP A 85 -7.238 18.734 14.358 1.00 0.00 H new ATOM 0 HA TRP A 85 -4.280 18.696 14.115 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -5.888 20.819 15.276 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -4.776 20.101 16.424 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -4.817 22.430 13.450 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -2.440 23.303 12.900 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -2.277 19.256 16.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.204 22.660 13.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 0.200 19.447 16.542 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.438 21.074 15.220 1.00 0.00 H new ATOM 1273 N GLU A 86 -4.192 17.160 16.084 1.00 0.00 N ATOM 1274 CA GLU A 86 -4.182 16.069 17.044 1.00 0.00 C ATOM 1275 C GLU A 86 -3.390 16.467 18.291 1.00 0.00 C ATOM 1276 O GLU A 86 -2.630 17.434 18.266 1.00 0.00 O ATOM 1277 CB GLU A 86 -3.615 14.793 16.418 1.00 0.00 C ATOM 1278 CG GLU A 86 -4.168 13.549 17.115 1.00 0.00 C ATOM 1279 CD GLU A 86 -3.862 12.286 16.306 1.00 0.00 C ATOM 1280 OE1 GLU A 86 -2.740 11.762 16.476 1.00 0.00 O ATOM 1281 OE2 GLU A 86 -4.757 11.874 15.537 1.00 0.00 O ATOM 0 H GLU A 86 -3.273 17.422 15.727 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.210 15.863 17.341 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.865 14.762 15.358 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.527 14.801 16.489 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.733 13.462 18.111 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.245 13.650 17.246 1.00 0.00 H new ATOM 1288 N MET A 87 -3.596 15.701 19.353 1.00 0.00 N ATOM 1289 CA MET A 87 -2.911 15.962 20.607 1.00 0.00 C ATOM 1290 C MET A 87 -2.642 14.661 21.365 1.00 0.00 C ATOM 1291 O MET A 87 -3.484 13.765 21.386 1.00 0.00 O ATOM 1292 CB MET A 87 -3.765 16.890 21.473 1.00 0.00 C ATOM 1293 CG MET A 87 -2.904 17.629 22.499 1.00 0.00 C ATOM 1294 SD MET A 87 -3.944 18.564 23.608 1.00 0.00 S ATOM 1295 CE MET A 87 -3.033 18.365 25.130 1.00 0.00 C ATOM 0 H MET A 87 -4.227 14.900 19.370 1.00 0.00 H new ATOM 0 HA MET A 87 -1.955 16.436 20.385 1.00 0.00 H new ATOM 0 HB2 MET A 87 -4.281 17.611 20.840 1.00 0.00 H new ATOM 0 HB3 MET A 87 -4.532 16.310 21.987 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.304 16.915 23.064 1.00 0.00 H new ATOM 0 HG3 MET A 87 -2.209 18.296 21.990 1.00 0.00 H new ATOM 0 HE1 MET A 87 -3.548 18.891 25.934 1.00 0.00 H new ATOM 0 HE2 MET A 87 -2.963 17.306 25.376 1.00 0.00 H new ATOM 0 HE3 MET A 87 -2.031 18.777 25.011 1.00 0.00 H new ATOM 1305 N VAL A 88 -1.464 14.598 21.970 1.00 0.00 N ATOM 1306 CA VAL A 88 -1.074 13.421 22.727 1.00 0.00 C ATOM 1307 C VAL A 88 -0.958 13.788 24.208 1.00 0.00 C ATOM 1308 O VAL A 88 -0.743 14.950 24.548 1.00 0.00 O ATOM 1309 CB VAL A 88 0.218 12.835 22.154 1.00 0.00 C ATOM 1310 CG1 VAL A 88 1.406 13.761 22.422 1.00 0.00 C ATOM 1311 CG2 VAL A 88 0.479 11.434 22.711 1.00 0.00 C ATOM 0 H VAL A 88 -0.768 15.343 21.951 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.834 12.644 22.643 1.00 0.00 H new ATOM 0 HB VAL A 88 0.097 12.749 21.074 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.312 13.321 22.005 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.225 14.729 21.956 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.529 13.893 23.497 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.403 11.040 22.288 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.570 11.485 23.796 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.350 10.777 22.447 1.00 0.00 H new ATOM 1321 N GLY A 89 -1.107 12.775 25.049 1.00 0.00 N ATOM 1322 CA GLY A 89 -1.022 12.977 26.486 1.00 0.00 C ATOM 1323 C GLY A 89 0.424 12.860 26.972 1.00 0.00 C ATOM 1324 O GLY A 89 1.327 13.466 26.397 1.00 0.00 O ATOM 0 H GLY A 89 -1.286 11.812 24.763 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.417 13.960 26.743 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.642 12.241 26.998 1.00 0.00 H new ATOM 1328 N LYS A 90 0.599 12.076 28.025 1.00 0.00 N ATOM 1329 CA LYS A 90 1.920 11.871 28.595 1.00 0.00 C ATOM 1330 C LYS A 90 1.864 10.721 29.603 1.00 0.00 C ATOM 1331 O LYS A 90 2.460 9.669 29.382 1.00 0.00 O ATOM 1332 CB LYS A 90 2.459 13.178 29.181 1.00 0.00 C ATOM 1333 CG LYS A 90 3.813 12.957 29.859 1.00 0.00 C ATOM 1334 CD LYS A 90 3.668 12.944 31.382 1.00 0.00 C ATOM 1335 CE LYS A 90 3.862 14.346 31.963 1.00 0.00 C ATOM 1336 NZ LYS A 90 4.585 14.277 33.253 1.00 0.00 N ATOM 0 H LYS A 90 -0.152 11.575 28.499 1.00 0.00 H new ATOM 0 HA LYS A 90 2.629 11.580 27.820 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.561 13.921 28.390 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.747 13.578 29.903 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.242 12.013 29.523 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.505 13.745 29.563 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.682 12.567 31.654 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.400 12.262 31.815 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.420 14.964 31.259 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.893 14.824 32.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.708 15.237 33.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.038 13.705 33.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.517 13.841 33.105 1.00 0.00 H new ATOM 1350 N LYS A 91 1.141 10.962 30.687 1.00 0.00 N ATOM 1351 CA LYS A 91 0.999 9.960 31.729 1.00 0.00 C ATOM 1352 C LYS A 91 2.337 9.790 32.452 1.00 0.00 C ATOM 1353 O LYS A 91 3.380 10.193 31.940 1.00 0.00 O ATOM 1354 CB LYS A 91 0.444 8.658 31.149 1.00 0.00 C ATOM 1355 CG LYS A 91 -1.065 8.556 31.375 1.00 0.00 C ATOM 1356 CD LYS A 91 -1.794 8.215 30.074 1.00 0.00 C ATOM 1357 CE LYS A 91 -2.109 6.720 29.997 1.00 0.00 C ATOM 1358 NZ LYS A 91 -1.118 6.025 29.146 1.00 0.00 N ATOM 0 H LYS A 91 0.647 11.837 30.866 1.00 0.00 H new ATOM 0 HA LYS A 91 0.272 10.285 32.473 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.659 8.610 30.082 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.943 7.807 31.613 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.273 7.791 32.123 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.441 9.500 31.770 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.719 8.789 30.010 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.179 8.505 29.222 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.103 6.289 30.998 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.111 6.574 29.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.346 5.011 29.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.143 6.425 28.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.167 6.149 29.548 1.00 0.00 H new ATOM 1372 N LYS A 92 2.263 9.192 33.632 1.00 0.00 N ATOM 1373 CA LYS A 92 3.455 8.963 34.431 1.00 0.00 C ATOM 1374 C LYS A 92 3.900 7.508 34.271 1.00 0.00 C ATOM 1375 O LYS A 92 3.234 6.722 33.598 1.00 0.00 O ATOM 1376 CB LYS A 92 3.213 9.376 35.884 1.00 0.00 C ATOM 1377 CG LYS A 92 4.441 10.081 36.466 1.00 0.00 C ATOM 1378 CD LYS A 92 4.542 9.851 37.975 1.00 0.00 C ATOM 1379 CE LYS A 92 4.088 11.090 38.749 1.00 0.00 C ATOM 1380 NZ LYS A 92 4.319 10.908 40.200 1.00 0.00 N ATOM 0 H LYS A 92 1.396 8.859 34.054 1.00 0.00 H new ATOM 0 HA LYS A 92 4.276 9.588 34.078 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.349 10.038 35.938 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.978 8.495 36.482 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.342 9.711 35.977 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.382 11.150 36.261 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.928 8.996 38.258 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.571 9.608 38.242 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.631 11.966 38.395 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.030 11.275 38.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.005 11.758 40.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.781 10.084 40.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.333 10.754 40.374 1.00 0.00 H new ATOM 1394 N GLY A 93 5.023 7.193 34.901 1.00 0.00 N ATOM 1395 CA GLY A 93 5.564 5.846 34.836 1.00 0.00 C ATOM 1396 C GLY A 93 5.817 5.289 36.239 1.00 0.00 C ATOM 1397 O GLY A 93 5.144 5.675 37.194 1.00 0.00 O ATOM 0 H GLY A 93 5.572 7.847 35.458 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.870 5.197 34.303 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.495 5.851 34.269 1.00 0.00 H new ATOM 1401 N VAL A 94 6.788 4.391 36.318 1.00 0.00 N ATOM 1402 CA VAL A 94 7.137 3.778 37.588 1.00 0.00 C ATOM 1403 C VAL A 94 7.564 4.866 38.575 1.00 0.00 C ATOM 1404 O VAL A 94 7.905 5.976 38.171 1.00 0.00 O ATOM 1405 CB VAL A 94 8.211 2.709 37.375 1.00 0.00 C ATOM 1406 CG1 VAL A 94 9.554 3.346 37.011 1.00 0.00 C ATOM 1407 CG2 VAL A 94 8.346 1.813 38.607 1.00 0.00 C ATOM 0 H VAL A 94 7.344 4.073 35.524 1.00 0.00 H new ATOM 0 HA VAL A 94 6.273 3.271 38.018 1.00 0.00 H new ATOM 0 HB VAL A 94 7.899 2.083 36.539 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.300 2.565 36.865 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.447 3.921 36.091 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.874 4.007 37.817 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.116 1.062 38.428 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.623 2.419 39.469 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.395 1.318 38.803 1.00 0.00 H new ATOM 1417 N SER A 95 7.532 4.509 39.851 1.00 0.00 N ATOM 1418 CA SER A 95 7.912 5.441 40.899 1.00 0.00 C ATOM 1419 C SER A 95 7.838 4.753 42.263 1.00 0.00 C ATOM 1420 O SER A 95 6.753 4.571 42.813 1.00 0.00 O ATOM 1421 CB SER A 95 7.018 6.683 40.882 1.00 0.00 C ATOM 1422 OG SER A 95 5.650 6.359 41.114 1.00 0.00 O ATOM 0 H SER A 95 7.249 3.587 40.183 1.00 0.00 H new ATOM 0 HA SER A 95 8.938 5.762 40.716 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.358 7.385 41.643 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.113 7.185 39.919 1.00 0.00 H new ATOM 0 HG SER A 95 5.592 5.637 41.774 1.00 0.00 H new ATOM 1428 N GLY A 96 9.007 4.388 42.770 1.00 0.00 N ATOM 1429 CA GLY A 96 9.088 3.724 44.060 1.00 0.00 C ATOM 1430 C GLY A 96 10.545 3.495 44.468 1.00 0.00 C ATOM 1431 O GLY A 96 11.463 3.859 43.734 1.00 0.00 O ATOM 0 H GLY A 96 9.905 4.540 42.311 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.585 4.327 44.816 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.565 2.769 44.015 1.00 0.00 H new ATOM 1435 N GLN A 97 10.712 2.894 45.636 1.00 0.00 N ATOM 1436 CA GLN A 97 12.041 2.612 46.150 1.00 0.00 C ATOM 1437 C GLN A 97 11.950 1.784 47.434 1.00 0.00 C ATOM 1438 O GLN A 97 10.886 1.696 48.045 1.00 0.00 O ATOM 1439 CB GLN A 97 12.823 3.905 46.387 1.00 0.00 C ATOM 1440 CG GLN A 97 14.318 3.695 46.140 1.00 0.00 C ATOM 1441 CD GLN A 97 15.149 4.254 47.297 1.00 0.00 C ATOM 1442 OE1 GLN A 97 14.632 4.704 48.306 1.00 0.00 O ATOM 1443 NE2 GLN A 97 16.463 4.201 47.094 1.00 0.00 N ATOM 0 H GLN A 97 9.948 2.594 46.242 1.00 0.00 H new ATOM 0 HA GLN A 97 12.581 2.030 45.403 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.448 4.687 45.727 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.664 4.248 47.409 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.524 2.631 46.020 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.609 4.183 45.210 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.830 3.811 46.226 1.00 0.00 H new ATOM 0 HE22 GLN A 97 17.104 4.550 47.807 1.00 0.00 H new ATOM 1452 N LYS A 98 13.079 1.198 47.804 1.00 0.00 N ATOM 1453 CA LYS A 98 13.140 0.380 49.003 1.00 0.00 C ATOM 1454 C LYS A 98 14.604 0.131 49.372 1.00 0.00 C ATOM 1455 O LYS A 98 15.445 -0.059 48.495 1.00 0.00 O ATOM 1456 CB LYS A 98 12.325 -0.902 48.820 1.00 0.00 C ATOM 1457 CG LYS A 98 11.901 -1.480 50.171 1.00 0.00 C ATOM 1458 CD LYS A 98 10.396 -1.312 50.392 1.00 0.00 C ATOM 1459 CE LYS A 98 9.672 -2.655 50.281 1.00 0.00 C ATOM 1460 NZ LYS A 98 8.332 -2.473 49.679 1.00 0.00 N ATOM 0 H LYS A 98 13.959 1.274 47.294 1.00 0.00 H new ATOM 0 HA LYS A 98 12.684 0.903 49.844 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.442 -0.692 48.217 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.916 -1.638 48.275 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.163 -2.537 50.217 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.448 -0.981 50.971 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.216 -0.878 51.375 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.992 -0.615 49.657 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.260 -3.343 49.673 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.575 -3.106 51.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.854 -3.394 49.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.768 -1.833 50.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.431 -2.063 48.728 1.00 0.00 H new ATOM 1474 N SER A 99 14.863 0.140 50.671 1.00 0.00 N ATOM 1475 CA SER A 99 16.211 -0.083 51.167 1.00 0.00 C ATOM 1476 C SER A 99 16.263 -1.381 51.975 1.00 0.00 C ATOM 1477 O SER A 99 15.228 -1.976 52.268 1.00 0.00 O ATOM 1478 CB SER A 99 16.685 1.094 52.022 1.00 0.00 C ATOM 1479 OG SER A 99 16.219 1.000 53.365 1.00 0.00 O ATOM 0 H SER A 99 14.163 0.298 51.395 1.00 0.00 H new ATOM 0 HA SER A 99 16.881 -0.168 50.311 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.774 1.129 52.018 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.334 2.027 51.581 1.00 0.00 H new ATOM 0 HG SER A 99 16.544 1.769 53.879 1.00 0.00 H new ATOM 1485 N GLY A 100 17.480 -1.782 52.312 1.00 0.00 N ATOM 1486 CA GLY A 100 17.682 -2.998 53.080 1.00 0.00 C ATOM 1487 C GLY A 100 18.902 -3.771 52.574 1.00 0.00 C ATOM 1488 O GLY A 100 18.771 -4.676 51.752 1.00 0.00 O ATOM 0 H GLY A 100 18.337 -1.286 52.067 1.00 0.00 H new ATOM 0 HA2 GLY A 100 17.816 -2.749 54.133 1.00 0.00 H new ATOM 0 HA3 GLY A 100 16.795 -3.627 53.011 1.00 0.00 H new ATOM 1492 N PRO A 101 20.091 -3.374 53.101 1.00 0.00 N ATOM 1493 CA PRO A 101 21.334 -4.019 52.711 1.00 0.00 C ATOM 1494 C PRO A 101 21.465 -5.396 53.364 1.00 0.00 C ATOM 1495 O PRO A 101 21.626 -6.402 52.674 1.00 0.00 O ATOM 1496 CB PRO A 101 22.428 -3.054 53.137 1.00 0.00 C ATOM 1497 CG PRO A 101 21.792 -2.126 54.159 1.00 0.00 C ATOM 1498 CD PRO A 101 20.285 -2.306 54.076 1.00 0.00 C ATOM 0 HA PRO A 101 21.388 -4.215 51.640 1.00 0.00 H new ATOM 0 HB2 PRO A 101 23.274 -3.589 53.569 1.00 0.00 H new ATOM 0 HB3 PRO A 101 22.808 -2.493 52.283 1.00 0.00 H new ATOM 0 HG2 PRO A 101 22.150 -2.359 55.162 1.00 0.00 H new ATOM 0 HG3 PRO A 101 22.065 -1.090 53.956 1.00 0.00 H new ATOM 0 HD2 PRO A 101 19.865 -2.574 55.045 1.00 0.00 H new ATOM 0 HD3 PRO A 101 19.794 -1.386 53.759 1.00 0.00 H new ATOM 1506 N SER A 102 21.391 -5.398 54.687 1.00 0.00 N ATOM 1507 CA SER A 102 21.499 -6.636 55.441 1.00 0.00 C ATOM 1508 C SER A 102 21.389 -6.347 56.940 1.00 0.00 C ATOM 1509 O SER A 102 21.396 -5.189 57.354 1.00 0.00 O ATOM 1510 CB SER A 102 22.814 -7.354 55.134 1.00 0.00 C ATOM 1511 OG SER A 102 22.672 -8.302 54.080 1.00 0.00 O ATOM 0 H SER A 102 21.258 -4.562 55.256 1.00 0.00 H new ATOM 0 HA SER A 102 20.680 -7.291 55.143 1.00 0.00 H new ATOM 0 HB2 SER A 102 23.573 -6.620 54.862 1.00 0.00 H new ATOM 0 HB3 SER A 102 23.168 -7.861 56.032 1.00 0.00 H new ATOM 0 HG SER A 102 22.068 -7.943 53.397 1.00 0.00 H new ATOM 1517 N SER A 103 21.290 -7.420 57.711 1.00 0.00 N ATOM 1518 CA SER A 103 21.178 -7.296 59.154 1.00 0.00 C ATOM 1519 C SER A 103 21.679 -8.575 59.829 1.00 0.00 C ATOM 1520 O SER A 103 20.992 -9.595 59.820 1.00 0.00 O ATOM 1521 CB SER A 103 19.735 -7.005 59.572 1.00 0.00 C ATOM 1522 OG SER A 103 19.671 -6.113 60.681 1.00 0.00 O ATOM 0 H SER A 103 21.285 -8.379 57.363 1.00 0.00 H new ATOM 0 HA SER A 103 21.796 -6.457 59.474 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.193 -6.576 58.729 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.236 -7.940 59.829 1.00 0.00 H new ATOM 0 HG SER A 103 18.734 -5.951 60.917 1.00 0.00 H new ATOM 1528 N GLY A 104 22.871 -8.477 60.398 1.00 0.00 N ATOM 1529 CA GLY A 104 23.472 -9.614 61.077 1.00 0.00 C ATOM 1530 C GLY A 104 24.836 -9.244 61.662 1.00 0.00 C ATOM 1531 O GLY A 104 25.315 -9.896 62.588 1.00 0.00 O ATOM 0 H GLY A 104 23.437 -7.629 60.403 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.812 -9.957 61.873 1.00 0.00 H new ATOM 0 HA3 GLY A 104 23.585 -10.442 60.377 1.00 0.00 H new TER 1535 GLY A 104