USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 571 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 28 SER OG : rot 63:sc= 0.426 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.513 K(o=0.94,f=-0.46) USER MOD Set 2.1: A 49 ASN : amide:sc= 0 X(o=-2.3,f=-2.8) USER MOD Set 2.2: A 52 MET CE :methyl -129:sc= -2.32! (180deg=-4.57!) USER MOD Set 3.1: A 29 SER OG : rot -103:sc= 0.119 USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0.153 USER MOD Set 4.1: A 1 SER OG : rot 180:sc= -0.576 USER MOD Set 4.2: A 3 ASN : amide:sc= -1.75! C(o=-2.3!,f=-1.3!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -50:sc= 0.371 USER MOD Single : A 5 THR OG1 : rot -21:sc= -0.0619 USER MOD Single : A 8 GLN : amide:sc= -1.75 K(o=-1.7,f=-3.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.74) USER MOD Single : A 24 ASN : amide:sc= -10.4! C(o=-10!,f=-10!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 8:sc= 0.442 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.47! USER MOD Single : A 53 ASN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 60 ASN : amide:sc= -9.26! C(o=-9.3!,f=-15!) USER MOD Single : A 61 HIS : no HE2:sc= -1.43! C(o=-1.4!,f=-2.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.16 USER MOD Single : A 72 MET CE :methyl 137:sc= -0.265 (180deg=-2.72) USER MOD Single : A 73 SER OG : rot -96:sc= 1.23 USER MOD Single : A 75 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.2!) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0.0931 (180deg=0.00178) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.885 0.792 -25.311 1.00 0.00 N ATOM 2 CA SER A 1 -13.457 -0.052 -26.399 1.00 0.00 C ATOM 3 C SER A 1 -14.736 -0.742 -25.919 1.00 0.00 C ATOM 4 O SER A 1 -15.780 -0.635 -26.531 1.00 0.00 O ATOM 5 CB SER A 1 -12.374 -1.085 -26.709 1.00 0.00 C ATOM 6 OG SER A 1 -12.503 -2.182 -25.815 1.00 0.00 O ATOM 0 H1 SER A 1 -12.017 1.254 -25.650 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.578 1.516 -25.033 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.661 0.195 -24.490 1.00 0.00 H new ATOM 0 HA SER A 1 -13.725 0.534 -27.278 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.466 -1.428 -27.740 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.386 -0.635 -26.610 1.00 0.00 H new ATOM 0 HG SER A 1 -11.811 -2.847 -26.012 1.00 0.00 H new ATOM 14 N SER A 2 -14.662 -1.451 -24.825 1.00 0.00 N ATOM 15 CA SER A 2 -15.874 -2.148 -24.305 1.00 0.00 C ATOM 16 C SER A 2 -15.572 -2.794 -22.951 1.00 0.00 C ATOM 17 O SER A 2 -15.895 -3.941 -22.713 1.00 0.00 O ATOM 18 CB SER A 2 -16.195 -3.216 -25.350 1.00 0.00 C ATOM 19 OG SER A 2 -17.424 -3.847 -25.014 1.00 0.00 O ATOM 0 H SER A 2 -13.816 -1.578 -24.269 1.00 0.00 H new ATOM 0 HA SER A 2 -16.709 -1.465 -24.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.263 -2.764 -26.340 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.393 -3.954 -25.391 1.00 0.00 H new ATOM 0 HG SER A 2 -17.403 -4.125 -24.075 1.00 0.00 H new ATOM 25 N ASN A 3 -14.953 -2.067 -22.061 1.00 0.00 N ATOM 26 CA ASN A 3 -14.630 -2.642 -20.723 1.00 0.00 C ATOM 27 C ASN A 3 -14.185 -1.533 -19.765 1.00 0.00 C ATOM 28 O ASN A 3 -13.024 -1.173 -19.715 1.00 0.00 O ATOM 29 CB ASN A 3 -13.486 -3.622 -20.979 1.00 0.00 C ATOM 30 CG ASN A 3 -12.421 -2.950 -21.846 1.00 0.00 C ATOM 31 OD1 ASN A 3 -11.632 -2.164 -21.361 1.00 0.00 O ATOM 32 ND2 ASN A 3 -12.364 -3.227 -23.121 1.00 0.00 N ATOM 0 H ASN A 3 -14.657 -1.101 -22.202 1.00 0.00 H new ATOM 0 HA ASN A 3 -15.489 -3.131 -20.264 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.050 -3.943 -20.033 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -13.863 -4.516 -21.476 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.658 -2.784 -23.708 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.026 -3.887 -23.530 1.00 0.00 H new ATOM 39 N LEU A 4 -15.096 -0.990 -19.006 1.00 0.00 N ATOM 40 CA LEU A 4 -14.724 0.093 -18.053 1.00 0.00 C ATOM 41 C LEU A 4 -15.397 -0.151 -16.700 1.00 0.00 C ATOM 42 O LEU A 4 -15.816 -1.249 -16.397 1.00 0.00 O ATOM 43 CB LEU A 4 -15.249 1.378 -18.693 1.00 0.00 C ATOM 44 CG LEU A 4 -16.676 1.153 -19.194 1.00 0.00 C ATOM 45 CD1 LEU A 4 -17.421 2.489 -19.230 1.00 0.00 C ATOM 46 CD2 LEU A 4 -16.634 0.556 -20.602 1.00 0.00 C ATOM 0 H LEU A 4 -16.082 -1.250 -19.004 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.650 0.140 -17.872 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.231 2.192 -17.968 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.604 1.674 -19.520 1.00 0.00 H new ATOM 0 HG LEU A 4 -17.192 0.467 -18.523 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -18.438 2.329 -19.587 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.451 2.916 -18.227 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.905 3.175 -19.901 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.651 0.395 -20.960 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -16.118 1.242 -21.273 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.103 -0.396 -20.578 1.00 0.00 H new ATOM 58 N THR A 5 -15.508 0.864 -15.888 1.00 0.00 N ATOM 59 CA THR A 5 -16.164 0.684 -14.560 1.00 0.00 C ATOM 60 C THR A 5 -15.670 -0.608 -13.898 1.00 0.00 C ATOM 61 O THR A 5 -14.497 -0.921 -13.930 1.00 0.00 O ATOM 62 CB THR A 5 -17.666 0.598 -14.866 1.00 0.00 C ATOM 63 OG1 THR A 5 -17.991 -0.715 -15.307 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.034 1.610 -15.954 1.00 0.00 C ATOM 0 H THR A 5 -15.174 1.808 -16.085 1.00 0.00 H new ATOM 0 HA THR A 5 -15.937 1.498 -13.872 1.00 0.00 H new ATOM 0 HB THR A 5 -18.228 0.825 -13.960 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.182 -1.160 -15.635 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.101 1.544 -16.167 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.794 2.616 -15.611 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.469 1.391 -16.860 1.00 0.00 H new ATOM 72 N GLU A 6 -16.557 -1.359 -13.296 1.00 0.00 N ATOM 73 CA GLU A 6 -16.138 -2.630 -12.634 1.00 0.00 C ATOM 74 C GLU A 6 -15.111 -3.360 -13.501 1.00 0.00 C ATOM 75 O GLU A 6 -14.259 -4.073 -13.008 1.00 0.00 O ATOM 76 CB GLU A 6 -17.423 -3.447 -12.509 1.00 0.00 C ATOM 77 CG GLU A 6 -17.798 -4.036 -13.872 1.00 0.00 C ATOM 78 CD GLU A 6 -18.985 -4.987 -13.709 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.167 -5.492 -12.614 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.690 -5.193 -14.682 1.00 0.00 O ATOM 0 H GLU A 6 -17.553 -1.146 -13.235 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.668 -2.462 -11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.287 -4.247 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.232 -2.816 -12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.052 -3.236 -14.568 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.947 -4.569 -14.296 1.00 0.00 H new ATOM 87 N GLU A 7 -15.181 -3.177 -14.789 1.00 0.00 N ATOM 88 CA GLU A 7 -14.206 -3.848 -15.691 1.00 0.00 C ATOM 89 C GLU A 7 -12.836 -3.193 -15.529 1.00 0.00 C ATOM 90 O GLU A 7 -11.831 -3.858 -15.369 1.00 0.00 O ATOM 91 CB GLU A 7 -14.749 -3.623 -17.103 1.00 0.00 C ATOM 92 CG GLU A 7 -14.703 -4.937 -17.885 1.00 0.00 C ATOM 93 CD GLU A 7 -16.129 -5.420 -18.156 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.861 -5.612 -17.199 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.464 -5.590 -19.317 1.00 0.00 O ATOM 0 H GLU A 7 -15.872 -2.591 -15.257 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.089 -4.910 -15.473 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.773 -3.252 -17.055 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.158 -2.863 -17.614 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.171 -4.794 -18.826 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.154 -5.690 -17.320 1.00 0.00 H new ATOM 102 N GLN A 8 -12.791 -1.888 -15.547 1.00 0.00 N ATOM 103 CA GLN A 8 -11.486 -1.195 -15.372 1.00 0.00 C ATOM 104 C GLN A 8 -11.032 -1.349 -13.919 1.00 0.00 C ATOM 105 O GLN A 8 -9.897 -1.678 -13.643 1.00 0.00 O ATOM 106 CB GLN A 8 -11.749 0.277 -15.732 1.00 0.00 C ATOM 107 CG GLN A 8 -12.217 1.059 -14.498 1.00 0.00 C ATOM 108 CD GLN A 8 -12.331 2.544 -14.848 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.006 3.396 -14.046 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.782 2.892 -16.023 1.00 0.00 N ATOM 0 H GLN A 8 -13.597 -1.276 -15.675 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.696 -1.606 -16.001 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.840 0.727 -16.132 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.505 0.336 -16.515 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.181 0.680 -14.158 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.512 0.921 -13.678 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.055 2.177 -16.697 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.861 3.879 -16.267 1.00 0.00 H new ATOM 119 N ILE A 9 -11.924 -1.129 -12.992 1.00 0.00 N ATOM 120 CA ILE A 9 -11.562 -1.276 -11.557 1.00 0.00 C ATOM 121 C ILE A 9 -10.941 -2.651 -11.322 1.00 0.00 C ATOM 122 O ILE A 9 -9.790 -2.768 -10.958 1.00 0.00 O ATOM 123 CB ILE A 9 -12.883 -1.157 -10.803 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.470 0.239 -11.015 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.638 -1.390 -9.312 1.00 0.00 C ATOM 126 CD1 ILE A 9 -14.995 0.169 -10.926 1.00 0.00 C ATOM 0 H ILE A 9 -12.890 -0.853 -13.169 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.838 -0.530 -11.230 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.585 -1.903 -11.177 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.082 0.926 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.169 0.628 -11.988 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.580 -1.305 -8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.222 -2.386 -9.163 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.937 -0.644 -8.938 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.414 1.164 -11.077 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.374 -0.505 -11.694 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.285 -0.202 -9.943 1.00 0.00 H new ATOM 138 N ALA A 10 -11.695 -3.696 -11.533 1.00 0.00 N ATOM 139 CA ALA A 10 -11.139 -5.063 -11.325 1.00 0.00 C ATOM 140 C ALA A 10 -9.734 -5.147 -11.928 1.00 0.00 C ATOM 141 O ALA A 10 -8.797 -5.590 -11.292 1.00 0.00 O ATOM 142 CB ALA A 10 -12.098 -6.000 -12.058 1.00 0.00 C ATOM 0 H ALA A 10 -12.667 -3.662 -11.839 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.052 -5.323 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.755 -7.029 -11.951 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.097 -5.904 -11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.128 -5.736 -13.115 1.00 0.00 H new ATOM 148 N GLU A 11 -9.583 -4.712 -13.149 1.00 0.00 N ATOM 149 CA GLU A 11 -8.239 -4.756 -13.791 1.00 0.00 C ATOM 150 C GLU A 11 -7.259 -3.896 -12.993 1.00 0.00 C ATOM 151 O GLU A 11 -6.122 -4.267 -12.777 1.00 0.00 O ATOM 152 CB GLU A 11 -8.448 -4.176 -15.191 1.00 0.00 C ATOM 153 CG GLU A 11 -7.743 -5.062 -16.221 1.00 0.00 C ATOM 154 CD GLU A 11 -7.713 -4.349 -17.573 1.00 0.00 C ATOM 155 OE1 GLU A 11 -8.394 -3.345 -17.707 1.00 0.00 O ATOM 156 OE2 GLU A 11 -7.010 -4.818 -18.453 1.00 0.00 O ATOM 0 H GLU A 11 -10.330 -4.329 -13.728 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.826 -5.764 -13.830 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.513 -4.115 -15.416 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.054 -3.161 -15.238 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.728 -5.283 -15.892 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.263 -6.016 -16.312 1.00 0.00 H new ATOM 163 N PHE A 12 -7.698 -2.752 -12.543 1.00 0.00 N ATOM 164 CA PHE A 12 -6.802 -1.867 -11.750 1.00 0.00 C ATOM 165 C PHE A 12 -6.430 -2.554 -10.434 1.00 0.00 C ATOM 166 O PHE A 12 -5.272 -2.655 -10.081 1.00 0.00 O ATOM 167 CB PHE A 12 -7.626 -0.606 -11.491 1.00 0.00 C ATOM 168 CG PHE A 12 -7.727 0.195 -12.768 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.574 0.459 -13.517 1.00 0.00 C ATOM 170 CD2 PHE A 12 -8.969 0.674 -13.205 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.660 1.199 -14.701 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.055 1.414 -14.391 1.00 0.00 C ATOM 173 CZ PHE A 12 -7.901 1.677 -15.138 1.00 0.00 C ATOM 0 H PHE A 12 -8.641 -2.393 -12.691 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.869 -1.640 -12.266 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.621 -0.874 -11.137 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.160 -0.007 -10.708 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.616 0.091 -13.180 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.859 0.473 -12.628 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.770 1.401 -15.278 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.012 1.782 -14.729 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.968 2.249 -16.052 1.00 0.00 H new ATOM 183 N LYS A 13 -7.406 -3.034 -9.710 1.00 0.00 N ATOM 184 CA LYS A 13 -7.113 -3.725 -8.423 1.00 0.00 C ATOM 185 C LYS A 13 -5.905 -4.643 -8.599 1.00 0.00 C ATOM 186 O LYS A 13 -4.917 -4.525 -7.902 1.00 0.00 O ATOM 187 CB LYS A 13 -8.370 -4.540 -8.113 1.00 0.00 C ATOM 188 CG LYS A 13 -9.365 -3.672 -7.343 1.00 0.00 C ATOM 189 CD LYS A 13 -10.283 -4.565 -6.506 1.00 0.00 C ATOM 190 CE LYS A 13 -10.207 -4.142 -5.038 1.00 0.00 C ATOM 191 NZ LYS A 13 -9.598 -5.305 -4.334 1.00 0.00 N ATOM 0 H LYS A 13 -8.394 -2.977 -9.956 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.877 -3.030 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.822 -4.896 -9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.109 -5.421 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.831 -2.975 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.956 -3.075 -8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.309 -4.488 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.987 -5.609 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.600 -3.245 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.196 -3.914 -4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.513 -5.091 -3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.201 -6.143 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.654 -5.494 -4.728 1.00 0.00 H new ATOM 205 N GLU A 14 -5.968 -5.549 -9.536 1.00 0.00 N ATOM 206 CA GLU A 14 -4.809 -6.456 -9.761 1.00 0.00 C ATOM 207 C GLU A 14 -3.555 -5.616 -10.010 1.00 0.00 C ATOM 208 O GLU A 14 -2.489 -5.899 -9.498 1.00 0.00 O ATOM 209 CB GLU A 14 -5.172 -7.269 -11.003 1.00 0.00 C ATOM 210 CG GLU A 14 -4.831 -8.743 -10.767 1.00 0.00 C ATOM 211 CD GLU A 14 -4.952 -9.512 -12.084 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.362 -9.076 -13.059 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.633 -10.524 -12.095 1.00 0.00 O ATOM 0 H GLU A 14 -6.767 -5.699 -10.152 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.606 -7.104 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.234 -7.161 -11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.627 -6.893 -11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.819 -8.834 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.504 -9.168 -10.022 1.00 0.00 H new ATOM 220 N ALA A 15 -3.682 -4.575 -10.787 1.00 0.00 N ATOM 221 CA ALA A 15 -2.508 -3.702 -11.065 1.00 0.00 C ATOM 222 C ALA A 15 -2.078 -2.988 -9.782 1.00 0.00 C ATOM 223 O ALA A 15 -0.920 -2.999 -9.414 1.00 0.00 O ATOM 224 CB ALA A 15 -2.999 -2.692 -12.103 1.00 0.00 C ATOM 0 H ALA A 15 -4.550 -4.292 -11.242 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.647 -4.264 -11.425 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.188 -2.011 -12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.327 -3.220 -12.998 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.833 -2.124 -11.691 1.00 0.00 H new ATOM 230 N PHE A 16 -3.001 -2.374 -9.093 1.00 0.00 N ATOM 231 CA PHE A 16 -2.635 -1.670 -7.832 1.00 0.00 C ATOM 232 C PHE A 16 -1.708 -2.555 -7.002 1.00 0.00 C ATOM 233 O PHE A 16 -0.554 -2.237 -6.789 1.00 0.00 O ATOM 234 CB PHE A 16 -3.951 -1.443 -7.089 1.00 0.00 C ATOM 235 CG PHE A 16 -3.646 -0.960 -5.691 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.303 0.381 -5.473 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.699 -1.852 -4.614 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.013 0.827 -4.179 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.407 -1.406 -3.319 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.065 -0.066 -3.102 1.00 0.00 C ATOM 0 H PHE A 16 -3.988 -2.330 -9.347 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.116 -0.731 -8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.560 -0.709 -7.617 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.527 -2.368 -7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.263 1.070 -6.304 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.965 -2.885 -4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.749 1.861 -4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.446 -2.095 -2.488 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.841 0.279 -2.103 1.00 0.00 H new ATOM 250 N ALA A 17 -2.202 -3.670 -6.535 1.00 0.00 N ATOM 251 CA ALA A 17 -1.346 -4.578 -5.725 1.00 0.00 C ATOM 252 C ALA A 17 0.028 -4.707 -6.382 1.00 0.00 C ATOM 253 O ALA A 17 1.050 -4.574 -5.738 1.00 0.00 O ATOM 254 CB ALA A 17 -2.074 -5.923 -5.729 1.00 0.00 C ATOM 0 H ALA A 17 -3.160 -3.989 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.188 -4.211 -4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.502 -6.648 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.063 -5.803 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.177 -6.278 -6.754 1.00 0.00 H new ATOM 260 N LEU A 18 0.061 -4.951 -7.665 1.00 0.00 N ATOM 261 CA LEU A 18 1.373 -5.071 -8.361 1.00 0.00 C ATOM 262 C LEU A 18 2.298 -3.941 -7.906 1.00 0.00 C ATOM 263 O LEU A 18 3.472 -4.143 -7.669 1.00 0.00 O ATOM 264 CB LEU A 18 1.049 -4.937 -9.850 1.00 0.00 C ATOM 265 CG LEU A 18 1.629 -6.131 -10.608 1.00 0.00 C ATOM 266 CD1 LEU A 18 0.708 -6.492 -11.775 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.014 -5.766 -11.147 1.00 0.00 C ATOM 0 H LEU A 18 -0.760 -5.072 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 18 1.879 -6.012 -8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.030 -4.890 -9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.464 -4.008 -10.241 1.00 0.00 H new ATOM 0 HG LEU A 18 1.712 -6.984 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.122 -7.343 -12.315 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.280 -6.750 -11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.625 -5.640 -12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.430 -6.616 -11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.929 -4.913 -11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.671 -5.508 -10.317 1.00 0.00 H new ATOM 279 N PHE A 19 1.772 -2.754 -7.773 1.00 0.00 N ATOM 280 CA PHE A 19 2.614 -1.611 -7.322 1.00 0.00 C ATOM 281 C PHE A 19 2.984 -1.794 -5.848 1.00 0.00 C ATOM 282 O PHE A 19 4.128 -1.663 -5.463 1.00 0.00 O ATOM 283 CB PHE A 19 1.735 -0.370 -7.500 1.00 0.00 C ATOM 284 CG PHE A 19 1.327 -0.227 -8.951 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.057 -0.870 -9.958 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.215 0.556 -9.286 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.676 -0.731 -11.297 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.166 0.694 -10.625 1.00 0.00 C ATOM 289 CZ PHE A 19 0.565 0.052 -11.631 1.00 0.00 C ATOM 0 H PHE A 19 0.795 -2.527 -7.957 1.00 0.00 H new ATOM 0 HA PHE A 19 3.544 -1.532 -7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.849 -0.449 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.277 0.519 -7.177 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.915 -1.474 -9.701 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.348 1.053 -8.510 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.239 -1.228 -12.073 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.025 1.296 -10.882 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.272 0.161 -12.665 1.00 0.00 H new ATOM 299 N ASP A 20 2.019 -2.100 -5.023 1.00 0.00 N ATOM 300 CA ASP A 20 2.308 -2.297 -3.574 1.00 0.00 C ATOM 301 C ASP A 20 3.082 -3.602 -3.366 1.00 0.00 C ATOM 302 O ASP A 20 2.797 -4.608 -3.985 1.00 0.00 O ATOM 303 CB ASP A 20 0.935 -2.375 -2.905 1.00 0.00 C ATOM 304 CG ASP A 20 1.107 -2.692 -1.419 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.213 -2.542 -0.927 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.131 -3.078 -0.799 1.00 0.00 O ATOM 0 H ASP A 20 1.042 -2.222 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 20 2.918 -1.495 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.405 -1.430 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.329 -3.144 -3.384 1.00 0.00 H new ATOM 311 N LYS A 21 4.058 -3.594 -2.500 1.00 0.00 N ATOM 312 CA LYS A 21 4.847 -4.837 -2.257 1.00 0.00 C ATOM 313 C LYS A 21 4.401 -5.502 -0.952 1.00 0.00 C ATOM 314 O LYS A 21 4.986 -6.468 -0.506 1.00 0.00 O ATOM 315 CB LYS A 21 6.299 -4.368 -2.152 1.00 0.00 C ATOM 316 CG LYS A 21 6.808 -3.967 -3.537 1.00 0.00 C ATOM 317 CD LYS A 21 7.726 -5.063 -4.082 1.00 0.00 C ATOM 318 CE LYS A 21 8.976 -5.164 -3.204 1.00 0.00 C ATOM 319 NZ LYS A 21 9.130 -6.618 -2.922 1.00 0.00 N ATOM 0 H LYS A 21 4.343 -2.783 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 21 4.712 -5.574 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.370 -3.522 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.920 -5.164 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.968 -3.812 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.348 -3.022 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.201 -6.018 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.008 -4.838 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.852 -4.766 -3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.859 -4.593 -2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.967 -6.769 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.284 -6.967 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.246 -7.135 -3.817 1.00 0.00 H new ATOM 333 N ASP A 22 3.371 -4.990 -0.336 1.00 0.00 N ATOM 334 CA ASP A 22 2.891 -5.591 0.942 1.00 0.00 C ATOM 335 C ASP A 22 1.403 -5.938 0.840 1.00 0.00 C ATOM 336 O ASP A 22 0.852 -6.604 1.694 1.00 0.00 O ATOM 337 CB ASP A 22 3.115 -4.507 1.994 1.00 0.00 C ATOM 338 CG ASP A 22 4.513 -3.910 1.824 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.459 -4.677 1.760 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.613 -2.696 1.762 1.00 0.00 O ATOM 0 H ASP A 22 2.841 -4.182 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 22 3.416 -6.515 1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.360 -3.727 1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.007 -4.928 2.994 1.00 0.00 H new ATOM 345 N ASN A 23 0.750 -5.492 -0.197 1.00 0.00 N ATOM 346 CA ASN A 23 -0.703 -5.795 -0.353 1.00 0.00 C ATOM 347 C ASN A 23 -1.499 -5.177 0.800 1.00 0.00 C ATOM 348 O ASN A 23 -2.562 -5.646 1.152 1.00 0.00 O ATOM 349 CB ASN A 23 -0.811 -7.319 -0.306 1.00 0.00 C ATOM 350 CG ASN A 23 0.344 -7.949 -1.090 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.857 -8.984 -0.712 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.779 -7.362 -2.171 1.00 0.00 N ATOM 0 H ASN A 23 1.159 -4.931 -0.944 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.103 -5.387 -1.281 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.789 -7.662 0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.764 -7.638 -0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.550 -7.772 -2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.348 -6.493 -2.488 1.00 0.00 H new ATOM 359 N ASN A 24 -0.995 -4.125 1.388 1.00 0.00 N ATOM 360 CA ASN A 24 -1.732 -3.481 2.514 1.00 0.00 C ATOM 361 C ASN A 24 -2.769 -2.495 1.968 1.00 0.00 C ATOM 362 O ASN A 24 -3.233 -1.618 2.669 1.00 0.00 O ATOM 363 CB ASN A 24 -0.665 -2.735 3.316 1.00 0.00 C ATOM 364 CG ASN A 24 0.561 -3.630 3.502 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.649 -3.147 3.743 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.429 -4.925 3.402 1.00 0.00 N ATOM 0 H ASN A 24 -0.109 -3.685 1.139 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.267 -4.209 3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.383 -1.818 2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.065 -2.443 4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.240 -5.531 3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.485 -5.330 3.200 1.00 0.00 H new ATOM 373 N GLY A 25 -3.129 -2.628 0.721 1.00 0.00 N ATOM 374 CA GLY A 25 -4.129 -1.691 0.135 1.00 0.00 C ATOM 375 C GLY A 25 -3.531 -0.284 0.092 1.00 0.00 C ATOM 376 O GLY A 25 -4.222 0.691 -0.122 1.00 0.00 O ATOM 0 H GLY A 25 -2.776 -3.342 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.403 -2.014 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.041 -1.694 0.731 1.00 0.00 H new ATOM 380 N SER A 26 -2.246 -0.176 0.298 1.00 0.00 N ATOM 381 CA SER A 26 -1.594 1.165 0.274 1.00 0.00 C ATOM 382 C SER A 26 -0.210 1.062 -0.372 1.00 0.00 C ATOM 383 O SER A 26 0.493 0.084 -0.204 1.00 0.00 O ATOM 384 CB SER A 26 -1.476 1.568 1.742 1.00 0.00 C ATOM 385 OG SER A 26 -0.166 2.062 1.992 1.00 0.00 O ATOM 0 H SER A 26 -1.619 -0.959 0.482 1.00 0.00 H new ATOM 0 HA SER A 26 -2.160 1.896 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.216 2.331 1.982 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.682 0.711 2.384 1.00 0.00 H new ATOM 0 HG SER A 26 -0.089 2.323 2.934 1.00 0.00 H new ATOM 391 N ILE A 27 0.186 2.062 -1.111 1.00 0.00 N ATOM 392 CA ILE A 27 1.523 2.016 -1.770 1.00 0.00 C ATOM 393 C ILE A 27 2.373 3.212 -1.336 1.00 0.00 C ATOM 394 O ILE A 27 1.962 4.350 -1.445 1.00 0.00 O ATOM 395 CB ILE A 27 1.228 2.088 -3.266 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.581 0.780 -3.720 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.531 2.306 -4.036 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.320 1.053 -4.924 1.00 0.00 C ATOM 0 H ILE A 27 -0.357 2.907 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 27 2.081 1.118 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 27 0.549 2.918 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.349 0.053 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.001 0.347 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.318 2.357 -5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.993 3.239 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.212 1.477 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.783 0.122 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.096 1.765 -4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.276 1.467 -5.738 1.00 0.00 H new ATOM 410 N SER A 28 3.558 2.964 -0.850 1.00 0.00 N ATOM 411 CA SER A 28 4.435 4.088 -0.414 1.00 0.00 C ATOM 412 C SER A 28 5.212 4.643 -1.612 1.00 0.00 C ATOM 413 O SER A 28 4.929 4.321 -2.750 1.00 0.00 O ATOM 414 CB SER A 28 5.391 3.472 0.607 1.00 0.00 C ATOM 415 OG SER A 28 5.013 3.886 1.912 1.00 0.00 O ATOM 0 H SER A 28 3.957 2.032 -0.736 1.00 0.00 H new ATOM 0 HA SER A 28 3.867 4.917 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.366 2.385 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.415 3.781 0.397 1.00 0.00 H new ATOM 0 HG SER A 28 4.116 3.547 2.116 1.00 0.00 H new ATOM 421 N SER A 29 6.186 5.475 -1.367 1.00 0.00 N ATOM 422 CA SER A 29 6.976 6.050 -2.494 1.00 0.00 C ATOM 423 C SER A 29 7.668 4.933 -3.282 1.00 0.00 C ATOM 424 O SER A 29 7.388 4.715 -4.444 1.00 0.00 O ATOM 425 CB SER A 29 8.012 6.956 -1.829 1.00 0.00 C ATOM 426 OG SER A 29 8.350 6.425 -0.554 1.00 0.00 O ATOM 0 H SER A 29 6.470 5.782 -0.437 1.00 0.00 H new ATOM 0 HA SER A 29 6.350 6.595 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.903 7.029 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.614 7.965 -1.722 1.00 0.00 H new ATOM 0 HG SER A 29 7.899 6.942 0.146 1.00 0.00 H new ATOM 432 N SER A 30 8.569 4.225 -2.658 1.00 0.00 N ATOM 433 CA SER A 30 9.279 3.124 -3.373 1.00 0.00 C ATOM 434 C SER A 30 8.280 2.063 -3.840 1.00 0.00 C ATOM 435 O SER A 30 8.355 1.571 -4.949 1.00 0.00 O ATOM 436 CB SER A 30 10.240 2.538 -2.340 1.00 0.00 C ATOM 437 OG SER A 30 10.460 3.492 -1.309 1.00 0.00 O ATOM 0 H SER A 30 8.845 4.360 -1.685 1.00 0.00 H new ATOM 0 HA SER A 30 9.801 3.479 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.826 1.621 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.185 2.274 -2.814 1.00 0.00 H new ATOM 0 HG SER A 30 11.075 3.119 -0.644 1.00 0.00 H new ATOM 443 N GLU A 31 7.345 1.704 -3.004 1.00 0.00 N ATOM 444 CA GLU A 31 6.343 0.674 -3.402 1.00 0.00 C ATOM 445 C GLU A 31 5.866 0.924 -4.835 1.00 0.00 C ATOM 446 O GLU A 31 6.095 0.128 -5.724 1.00 0.00 O ATOM 447 CB GLU A 31 5.188 0.841 -2.415 1.00 0.00 C ATOM 448 CG GLU A 31 5.556 0.184 -1.083 1.00 0.00 C ATOM 449 CD GLU A 31 4.301 -0.412 -0.442 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.403 0.350 -0.123 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.260 -1.620 -0.280 1.00 0.00 O ATOM 0 H GLU A 31 7.231 2.079 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 31 6.757 -0.334 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.975 1.899 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.282 0.388 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.300 -0.596 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.004 0.919 -0.415 1.00 0.00 H new ATOM 458 N LEU A 32 5.205 2.025 -5.066 1.00 0.00 N ATOM 459 CA LEU A 32 4.716 2.324 -6.444 1.00 0.00 C ATOM 460 C LEU A 32 5.891 2.377 -7.423 1.00 0.00 C ATOM 461 O LEU A 32 5.777 1.979 -8.565 1.00 0.00 O ATOM 462 CB LEU A 32 4.044 3.694 -6.336 1.00 0.00 C ATOM 463 CG LEU A 32 2.596 3.592 -6.817 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.861 4.897 -6.506 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.576 3.344 -8.327 1.00 0.00 C ATOM 0 H LEU A 32 4.982 2.730 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 32 4.031 1.562 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.072 4.044 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.587 4.425 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 32 2.102 2.766 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.829 4.824 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.874 5.075 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.355 5.724 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.544 3.271 -8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.071 4.170 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.099 2.414 -8.550 1.00 0.00 H new ATOM 477 N ALA A 33 7.019 2.866 -6.986 1.00 0.00 N ATOM 478 CA ALA A 33 8.199 2.945 -7.894 1.00 0.00 C ATOM 479 C ALA A 33 8.817 1.556 -8.079 1.00 0.00 C ATOM 480 O ALA A 33 9.658 1.350 -8.932 1.00 0.00 O ATOM 481 CB ALA A 33 9.182 3.879 -7.186 1.00 0.00 C ATOM 0 H ALA A 33 7.175 3.214 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 33 7.933 3.310 -8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.081 3.989 -7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.718 4.855 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.449 3.459 -6.216 1.00 0.00 H new ATOM 487 N THR A 34 8.407 0.602 -7.289 1.00 0.00 N ATOM 488 CA THR A 34 8.972 -0.771 -7.422 1.00 0.00 C ATOM 489 C THR A 34 8.599 -1.368 -8.782 1.00 0.00 C ATOM 490 O THR A 34 9.101 -2.402 -9.176 1.00 0.00 O ATOM 491 CB THR A 34 8.332 -1.574 -6.289 1.00 0.00 C ATOM 492 OG1 THR A 34 8.517 -0.885 -5.060 1.00 0.00 O ATOM 493 CG2 THR A 34 8.986 -2.955 -6.206 1.00 0.00 C ATOM 0 H THR A 34 7.705 0.714 -6.557 1.00 0.00 H new ATOM 0 HA THR A 34 10.060 -0.777 -7.361 1.00 0.00 H new ATOM 0 HB THR A 34 7.266 -1.691 -6.484 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.905 -0.002 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.529 -3.526 -5.398 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.843 -3.482 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.053 -2.841 -6.012 1.00 0.00 H new ATOM 501 N VAL A 35 7.721 -0.725 -9.502 1.00 0.00 N ATOM 502 CA VAL A 35 7.317 -1.257 -10.835 1.00 0.00 C ATOM 503 C VAL A 35 8.493 -1.188 -11.812 1.00 0.00 C ATOM 504 O VAL A 35 8.825 -2.154 -12.470 1.00 0.00 O ATOM 505 CB VAL A 35 6.182 -0.344 -11.298 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.837 -0.656 -12.756 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.950 -0.580 -10.423 1.00 0.00 C ATOM 0 H VAL A 35 7.266 0.145 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 35 7.007 -2.301 -10.786 1.00 0.00 H new ATOM 0 HB VAL A 35 6.496 0.696 -11.213 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.028 -0.005 -13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.714 -0.490 -13.381 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.523 -1.696 -12.841 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.140 0.071 -10.752 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.637 -1.621 -10.508 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.194 -0.358 -9.384 1.00 0.00 H new ATOM 517 N MET A 36 9.127 -0.051 -11.913 1.00 0.00 N ATOM 518 CA MET A 36 10.281 0.080 -12.848 1.00 0.00 C ATOM 519 C MET A 36 11.226 -1.116 -12.693 1.00 0.00 C ATOM 520 O MET A 36 11.956 -1.464 -13.599 1.00 0.00 O ATOM 521 CB MET A 36 10.981 1.374 -12.434 1.00 0.00 C ATOM 522 CG MET A 36 10.272 2.566 -13.079 1.00 0.00 C ATOM 523 SD MET A 36 11.503 3.760 -13.660 1.00 0.00 S ATOM 524 CE MET A 36 10.854 3.956 -15.338 1.00 0.00 C ATOM 0 H MET A 36 8.896 0.793 -11.388 1.00 0.00 H new ATOM 0 HA MET A 36 9.967 0.103 -13.891 1.00 0.00 H new ATOM 0 HB2 MET A 36 10.970 1.475 -11.349 1.00 0.00 H new ATOM 0 HB3 MET A 36 12.026 1.349 -12.742 1.00 0.00 H new ATOM 0 HG2 MET A 36 9.656 2.229 -13.912 1.00 0.00 H new ATOM 0 HG3 MET A 36 9.604 3.038 -12.359 1.00 0.00 H new ATOM 0 HE1 MET A 36 11.474 4.664 -15.888 1.00 0.00 H new ATOM 0 HE2 MET A 36 10.865 2.992 -15.847 1.00 0.00 H new ATOM 0 HE3 MET A 36 9.831 4.330 -15.291 1.00 0.00 H new ATOM 534 N ARG A 37 11.216 -1.748 -11.552 1.00 0.00 N ATOM 535 CA ARG A 37 12.113 -2.920 -11.341 1.00 0.00 C ATOM 536 C ARG A 37 11.759 -4.041 -12.322 1.00 0.00 C ATOM 537 O ARG A 37 12.622 -4.686 -12.882 1.00 0.00 O ATOM 538 CB ARG A 37 11.853 -3.365 -9.901 1.00 0.00 C ATOM 539 CG ARG A 37 12.865 -4.445 -9.510 1.00 0.00 C ATOM 540 CD ARG A 37 12.934 -4.552 -7.985 1.00 0.00 C ATOM 541 NE ARG A 37 13.227 -5.986 -7.713 1.00 0.00 N ATOM 542 CZ ARG A 37 12.865 -6.524 -6.581 1.00 0.00 C ATOM 543 NH1 ARG A 37 13.385 -6.100 -5.462 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.983 -7.486 -6.567 1.00 0.00 N ATOM 0 H ARG A 37 10.626 -1.504 -10.757 1.00 0.00 H new ATOM 0 HA ARG A 37 13.161 -2.672 -11.507 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.935 -2.513 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.838 -3.751 -9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.574 -5.404 -9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.848 -4.200 -9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.712 -3.906 -7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.994 -4.247 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 37 13.711 -6.549 -8.413 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.074 -5.348 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.102 -6.520 -4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.576 -7.818 -7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.701 -7.906 -5.681 1.00 0.00 H new ATOM 558 N SER A 38 10.493 -4.277 -12.535 1.00 0.00 N ATOM 559 CA SER A 38 10.084 -5.356 -13.479 1.00 0.00 C ATOM 560 C SER A 38 10.946 -5.306 -14.744 1.00 0.00 C ATOM 561 O SER A 38 11.192 -6.312 -15.378 1.00 0.00 O ATOM 562 CB SER A 38 8.624 -5.056 -13.815 1.00 0.00 C ATOM 563 OG SER A 38 7.816 -5.322 -12.675 1.00 0.00 O ATOM 0 H SER A 38 9.725 -3.770 -12.096 1.00 0.00 H new ATOM 0 HA SER A 38 10.208 -6.350 -13.049 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.515 -4.015 -14.118 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.299 -5.668 -14.656 1.00 0.00 H new ATOM 0 HG SER A 38 6.879 -5.129 -12.886 1.00 0.00 H new ATOM 569 N LEU A 39 11.406 -4.143 -15.113 1.00 0.00 N ATOM 570 CA LEU A 39 12.252 -4.029 -16.337 1.00 0.00 C ATOM 571 C LEU A 39 13.500 -3.193 -16.041 1.00 0.00 C ATOM 572 O LEU A 39 14.610 -3.686 -16.068 1.00 0.00 O ATOM 573 CB LEU A 39 11.367 -3.327 -17.367 1.00 0.00 C ATOM 574 CG LEU A 39 10.213 -4.248 -17.762 1.00 0.00 C ATOM 575 CD1 LEU A 39 8.945 -3.828 -17.016 1.00 0.00 C ATOM 576 CD2 LEU A 39 9.973 -4.146 -19.270 1.00 0.00 C ATOM 0 H LEU A 39 11.234 -3.266 -14.621 1.00 0.00 H new ATOM 0 HA LEU A 39 12.598 -5.000 -16.692 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.978 -2.396 -16.954 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.954 -3.064 -18.247 1.00 0.00 H new ATOM 0 HG LEU A 39 10.464 -5.276 -17.501 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.122 -4.485 -17.298 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.114 -3.899 -15.942 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.694 -2.800 -17.276 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.150 -4.803 -19.553 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.722 -3.118 -19.530 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.875 -4.445 -19.803 1.00 0.00 H new ATOM 588 N GLY A 40 13.327 -1.931 -15.759 1.00 0.00 N ATOM 589 CA GLY A 40 14.502 -1.066 -15.461 1.00 0.00 C ATOM 590 C GLY A 40 14.294 -0.361 -14.120 1.00 0.00 C ATOM 591 O GLY A 40 13.583 0.619 -14.026 1.00 0.00 O ATOM 0 H GLY A 40 12.422 -1.462 -15.722 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.410 -1.668 -15.430 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.634 -0.330 -16.254 1.00 0.00 H new ATOM 595 N LEU A 41 14.909 -0.854 -13.079 1.00 0.00 N ATOM 596 CA LEU A 41 14.743 -0.212 -11.743 1.00 0.00 C ATOM 597 C LEU A 41 15.385 1.179 -11.743 1.00 0.00 C ATOM 598 O LEU A 41 16.547 1.337 -11.426 1.00 0.00 O ATOM 599 CB LEU A 41 15.467 -1.137 -10.766 1.00 0.00 C ATOM 600 CG LEU A 41 15.428 -0.527 -9.364 1.00 0.00 C ATOM 601 CD1 LEU A 41 14.148 -0.966 -8.652 1.00 0.00 C ATOM 602 CD2 LEU A 41 16.645 -1.006 -8.567 1.00 0.00 C ATOM 0 H LEU A 41 15.518 -1.672 -13.096 1.00 0.00 H new ATOM 0 HA LEU A 41 13.695 -0.078 -11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 41 14.995 -2.119 -10.760 1.00 0.00 H new ATOM 0 HB3 LEU A 41 16.500 -1.282 -11.083 1.00 0.00 H new ATOM 0 HG LEU A 41 15.447 0.560 -9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 41 14.120 -0.531 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.281 -0.627 -9.220 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.129 -2.053 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.619 -0.572 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 41 16.625 -2.093 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.558 -0.694 -9.074 1.00 0.00 H new ATOM 614 N SER A 42 14.635 2.187 -12.095 1.00 0.00 N ATOM 615 CA SER A 42 15.201 3.567 -12.115 1.00 0.00 C ATOM 616 C SER A 42 14.075 4.600 -12.046 1.00 0.00 C ATOM 617 O SER A 42 14.007 5.500 -12.859 1.00 0.00 O ATOM 618 CB SER A 42 15.943 3.670 -13.446 1.00 0.00 C ATOM 619 OG SER A 42 15.386 2.742 -14.367 1.00 0.00 O ATOM 0 H SER A 42 13.655 2.116 -12.370 1.00 0.00 H new ATOM 0 HA SER A 42 15.858 3.757 -11.267 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.866 4.683 -13.841 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.004 3.464 -13.301 1.00 0.00 H new ATOM 0 HG SER A 42 15.859 2.807 -15.223 1.00 0.00 H new ATOM 625 N PRO A 43 13.224 4.432 -11.071 1.00 0.00 N ATOM 626 CA PRO A 43 12.082 5.360 -10.887 1.00 0.00 C ATOM 627 C PRO A 43 12.570 6.706 -10.341 1.00 0.00 C ATOM 628 O PRO A 43 11.905 7.712 -10.468 1.00 0.00 O ATOM 629 CB PRO A 43 11.200 4.645 -9.867 1.00 0.00 C ATOM 630 CG PRO A 43 12.129 3.745 -9.116 1.00 0.00 C ATOM 631 CD PRO A 43 13.245 3.372 -10.057 1.00 0.00 C ATOM 0 HA PRO A 43 11.556 5.582 -11.815 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.713 5.356 -9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.410 4.076 -10.358 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.522 4.248 -8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.605 2.855 -8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 43 14.205 3.332 -9.542 1.00 0.00 H new ATOM 0 HD3 PRO A 43 13.081 2.391 -10.502 1.00 0.00 H new ATOM 639 N SER A 44 13.728 6.727 -9.738 1.00 0.00 N ATOM 640 CA SER A 44 14.270 8.004 -9.181 1.00 0.00 C ATOM 641 C SER A 44 13.296 8.608 -8.166 1.00 0.00 C ATOM 642 O SER A 44 12.136 8.806 -8.448 1.00 0.00 O ATOM 643 CB SER A 44 14.438 8.942 -10.374 1.00 0.00 C ATOM 644 OG SER A 44 14.195 8.232 -11.581 1.00 0.00 O ATOM 0 H SER A 44 14.326 5.911 -9.606 1.00 0.00 H new ATOM 0 HA SER A 44 15.213 7.840 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.747 9.781 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.445 9.358 -10.382 1.00 0.00 H new ATOM 0 HG SER A 44 14.302 8.838 -12.344 1.00 0.00 H new ATOM 650 N GLU A 45 13.769 8.904 -6.988 1.00 0.00 N ATOM 651 CA GLU A 45 12.886 9.498 -5.939 1.00 0.00 C ATOM 652 C GLU A 45 11.902 10.498 -6.556 1.00 0.00 C ATOM 653 O GLU A 45 10.704 10.377 -6.398 1.00 0.00 O ATOM 654 CB GLU A 45 13.839 10.210 -4.979 1.00 0.00 C ATOM 655 CG GLU A 45 13.034 10.915 -3.886 1.00 0.00 C ATOM 656 CD GLU A 45 13.185 10.152 -2.568 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.176 9.456 -2.420 1.00 0.00 O ATOM 658 OE2 GLU A 45 12.308 10.277 -1.729 1.00 0.00 O ATOM 0 H GLU A 45 14.737 8.760 -6.702 1.00 0.00 H new ATOM 0 HA GLU A 45 12.284 8.740 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.526 9.491 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.445 10.934 -5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.383 11.941 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.983 10.967 -4.170 1.00 0.00 H new ATOM 665 N ALA A 46 12.397 11.485 -7.257 1.00 0.00 N ATOM 666 CA ALA A 46 11.483 12.486 -7.880 1.00 0.00 C ATOM 667 C ALA A 46 10.276 11.777 -8.499 1.00 0.00 C ATOM 668 O ALA A 46 9.165 11.892 -8.022 1.00 0.00 O ATOM 669 CB ALA A 46 12.320 13.167 -8.963 1.00 0.00 C ATOM 0 H ALA A 46 13.391 11.640 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 46 11.096 13.203 -7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.716 13.920 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.187 13.644 -8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.654 12.423 -9.686 1.00 0.00 H new ATOM 675 N GLU A 47 10.489 11.036 -9.549 1.00 0.00 N ATOM 676 CA GLU A 47 9.359 10.307 -10.193 1.00 0.00 C ATOM 677 C GLU A 47 8.681 9.403 -9.152 1.00 0.00 C ATOM 678 O GLU A 47 7.472 9.336 -9.060 1.00 0.00 O ATOM 679 CB GLU A 47 10.027 9.500 -11.322 1.00 0.00 C ATOM 680 CG GLU A 47 9.513 8.054 -11.350 1.00 0.00 C ATOM 681 CD GLU A 47 8.045 8.041 -11.778 1.00 0.00 C ATOM 682 OE1 GLU A 47 7.370 9.029 -11.538 1.00 0.00 O ATOM 683 OE2 GLU A 47 7.620 7.044 -12.338 1.00 0.00 O ATOM 0 H GLU A 47 11.398 10.903 -9.991 1.00 0.00 H new ATOM 0 HA GLU A 47 8.577 10.957 -10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.828 9.978 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.108 9.502 -11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.109 7.458 -12.041 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.619 7.600 -10.365 1.00 0.00 H new ATOM 690 N VAL A 48 9.463 8.717 -8.367 1.00 0.00 N ATOM 691 CA VAL A 48 8.895 7.822 -7.320 1.00 0.00 C ATOM 692 C VAL A 48 7.873 8.586 -6.480 1.00 0.00 C ATOM 693 O VAL A 48 6.679 8.392 -6.596 1.00 0.00 O ATOM 694 CB VAL A 48 10.098 7.426 -6.461 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.653 6.489 -5.340 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.133 6.718 -7.330 1.00 0.00 C ATOM 0 H VAL A 48 10.482 8.738 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 48 8.383 6.956 -7.740 1.00 0.00 H new ATOM 0 HB VAL A 48 10.536 8.324 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.515 6.212 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.917 6.994 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.209 5.591 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.990 6.436 -6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.690 5.824 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.460 7.388 -8.125 1.00 0.00 H new ATOM 706 N ASN A 49 8.343 9.460 -5.638 1.00 0.00 N ATOM 707 CA ASN A 49 7.426 10.257 -4.784 1.00 0.00 C ATOM 708 C ASN A 49 6.389 10.972 -5.661 1.00 0.00 C ATOM 709 O ASN A 49 5.224 11.049 -5.325 1.00 0.00 O ATOM 710 CB ASN A 49 8.360 11.247 -4.078 1.00 0.00 C ATOM 711 CG ASN A 49 7.656 12.590 -3.846 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.813 12.705 -2.979 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.970 13.614 -4.591 1.00 0.00 N ATOM 0 H ASN A 49 9.335 9.658 -5.504 1.00 0.00 H new ATOM 0 HA ASN A 49 6.855 9.661 -4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.683 10.831 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.256 11.400 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.508 14.511 -4.445 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.678 13.517 -5.319 1.00 0.00 H new ATOM 720 N ASP A 50 6.806 11.491 -6.783 1.00 0.00 N ATOM 721 CA ASP A 50 5.847 12.194 -7.681 1.00 0.00 C ATOM 722 C ASP A 50 4.672 11.273 -8.015 1.00 0.00 C ATOM 723 O ASP A 50 3.535 11.697 -8.076 1.00 0.00 O ATOM 724 CB ASP A 50 6.649 12.522 -8.940 1.00 0.00 C ATOM 725 CG ASP A 50 5.692 12.907 -10.070 1.00 0.00 C ATOM 726 OD1 ASP A 50 4.769 13.659 -9.807 1.00 0.00 O ATOM 727 OD2 ASP A 50 5.899 12.442 -11.179 1.00 0.00 O ATOM 0 H ASP A 50 7.769 11.459 -7.117 1.00 0.00 H new ATOM 0 HA ASP A 50 5.429 13.090 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.341 13.341 -8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.250 11.662 -9.235 1.00 0.00 H new ATOM 732 N LEU A 51 4.938 10.013 -8.227 1.00 0.00 N ATOM 733 CA LEU A 51 3.835 9.064 -8.553 1.00 0.00 C ATOM 734 C LEU A 51 2.913 8.899 -7.343 1.00 0.00 C ATOM 735 O LEU A 51 1.723 9.136 -7.421 1.00 0.00 O ATOM 736 CB LEU A 51 4.532 7.743 -8.882 1.00 0.00 C ATOM 737 CG LEU A 51 3.978 7.186 -10.194 1.00 0.00 C ATOM 738 CD1 LEU A 51 4.292 8.155 -11.334 1.00 0.00 C ATOM 739 CD2 LEU A 51 4.626 5.831 -10.486 1.00 0.00 C ATOM 0 H LEU A 51 5.870 9.600 -8.189 1.00 0.00 H new ATOM 0 HA LEU A 51 3.217 9.413 -9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.608 7.898 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.376 7.026 -8.076 1.00 0.00 H new ATOM 0 HG LEU A 51 2.898 7.063 -10.108 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.897 7.757 -12.269 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.832 9.121 -11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.372 8.278 -11.420 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.232 5.433 -11.421 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.706 5.955 -10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.403 5.139 -9.674 1.00 0.00 H new ATOM 751 N MET A 52 3.451 8.498 -6.222 1.00 0.00 N ATOM 752 CA MET A 52 2.600 8.326 -5.011 1.00 0.00 C ATOM 753 C MET A 52 1.815 9.611 -4.737 1.00 0.00 C ATOM 754 O MET A 52 0.602 9.606 -4.667 1.00 0.00 O ATOM 755 CB MET A 52 3.582 8.041 -3.871 1.00 0.00 C ATOM 756 CG MET A 52 2.885 8.255 -2.527 1.00 0.00 C ATOM 757 SD MET A 52 3.204 9.939 -1.942 1.00 0.00 S ATOM 758 CE MET A 52 5.003 9.798 -1.817 1.00 0.00 C ATOM 0 H MET A 52 4.440 8.283 -6.094 1.00 0.00 H new ATOM 0 HA MET A 52 1.871 7.524 -5.126 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.950 7.017 -3.942 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.448 8.698 -3.951 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.812 8.092 -2.632 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.248 7.531 -1.798 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.327 10.133 -0.832 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.297 8.759 -1.962 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.471 10.417 -2.582 1.00 0.00 H new ATOM 768 N ASN A 53 2.499 10.712 -4.584 1.00 0.00 N ATOM 769 CA ASN A 53 1.793 11.998 -4.317 1.00 0.00 C ATOM 770 C ASN A 53 0.798 12.296 -5.442 1.00 0.00 C ATOM 771 O ASN A 53 -0.332 12.669 -5.201 1.00 0.00 O ATOM 772 CB ASN A 53 2.896 13.055 -4.281 1.00 0.00 C ATOM 773 CG ASN A 53 2.811 13.837 -2.970 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.308 14.943 -2.939 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.286 13.306 -1.876 1.00 0.00 N ATOM 0 H ASN A 53 3.516 10.777 -4.632 1.00 0.00 H new ATOM 0 HA ASN A 53 1.224 11.973 -3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.873 12.580 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.793 13.733 -5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.235 13.819 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.708 12.378 -1.901 1.00 0.00 H new ATOM 782 N GLU A 54 1.208 12.131 -6.671 1.00 0.00 N ATOM 783 CA GLU A 54 0.282 12.404 -7.807 1.00 0.00 C ATOM 784 C GLU A 54 -1.035 11.652 -7.601 1.00 0.00 C ATOM 785 O GLU A 54 -2.091 12.110 -7.989 1.00 0.00 O ATOM 786 CB GLU A 54 1.011 11.882 -9.046 1.00 0.00 C ATOM 787 CG GLU A 54 0.067 11.926 -10.250 1.00 0.00 C ATOM 788 CD GLU A 54 0.455 13.093 -11.161 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.593 14.193 -10.654 1.00 0.00 O ATOM 790 OE2 GLU A 54 0.610 12.864 -12.350 1.00 0.00 O ATOM 0 H GLU A 54 2.142 11.820 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 54 0.035 13.462 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.896 12.487 -9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.354 10.861 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.120 10.987 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.963 12.040 -9.914 1.00 0.00 H new ATOM 797 N ILE A 55 -0.980 10.500 -6.989 1.00 0.00 N ATOM 798 CA ILE A 55 -2.227 9.718 -6.753 1.00 0.00 C ATOM 799 C ILE A 55 -2.636 9.815 -5.282 1.00 0.00 C ATOM 800 O ILE A 55 -3.716 9.408 -4.900 1.00 0.00 O ATOM 801 CB ILE A 55 -1.867 8.279 -7.118 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.292 8.241 -8.536 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.122 7.406 -7.055 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.198 7.175 -8.616 1.00 0.00 C ATOM 0 H ILE A 55 -0.124 10.066 -6.642 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.067 10.087 -7.342 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.126 7.901 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.082 8.021 -9.254 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.884 9.216 -8.800 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.865 6.379 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.533 7.432 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.864 7.784 -7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.211 7.148 -9.626 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.596 7.415 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.621 6.201 -8.370 1.00 0.00 H new ATOM 816 N ASP A 56 -1.781 10.350 -4.452 1.00 0.00 N ATOM 817 CA ASP A 56 -2.122 10.473 -3.006 1.00 0.00 C ATOM 818 C ASP A 56 -3.230 11.510 -2.811 1.00 0.00 C ATOM 819 O ASP A 56 -2.972 12.682 -2.624 1.00 0.00 O ATOM 820 CB ASP A 56 -0.830 10.937 -2.332 1.00 0.00 C ATOM 821 CG ASP A 56 -0.719 10.299 -0.946 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.717 9.780 -0.473 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.361 10.343 -0.380 1.00 0.00 O ATOM 0 H ASP A 56 -0.862 10.707 -4.713 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.487 9.535 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.030 10.660 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.823 12.024 -2.245 1.00 0.00 H new ATOM 828 N VAL A 57 -4.464 11.087 -2.853 1.00 0.00 N ATOM 829 CA VAL A 57 -5.588 12.049 -2.669 1.00 0.00 C ATOM 830 C VAL A 57 -5.481 12.735 -1.305 1.00 0.00 C ATOM 831 O VAL A 57 -5.835 13.887 -1.149 1.00 0.00 O ATOM 832 CB VAL A 57 -6.856 11.198 -2.746 1.00 0.00 C ATOM 833 CG1 VAL A 57 -7.030 10.670 -4.170 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.737 10.018 -1.778 1.00 0.00 C ATOM 0 H VAL A 57 -4.742 10.118 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.582 12.838 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.719 11.807 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.934 10.063 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.113 11.509 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.167 10.061 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.640 9.411 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.874 9.410 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.612 10.392 -0.762 1.00 0.00 H new ATOM 844 N ASP A 58 -4.992 12.038 -0.317 1.00 0.00 N ATOM 845 CA ASP A 58 -4.861 12.652 1.036 1.00 0.00 C ATOM 846 C ASP A 58 -3.475 13.283 1.195 1.00 0.00 C ATOM 847 O ASP A 58 -3.312 14.287 1.858 1.00 0.00 O ATOM 848 CB ASP A 58 -5.041 11.494 2.017 1.00 0.00 C ATOM 849 CG ASP A 58 -3.980 10.425 1.747 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.770 10.107 0.588 1.00 0.00 O ATOM 851 OD2 ASP A 58 -3.396 9.943 2.703 1.00 0.00 O ATOM 0 H ASP A 58 -4.677 11.070 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.592 13.443 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.956 11.855 3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.038 11.066 1.912 1.00 0.00 H new ATOM 856 N GLY A 59 -2.475 12.700 0.590 1.00 0.00 N ATOM 857 CA GLY A 59 -1.101 13.267 0.706 1.00 0.00 C ATOM 858 C GLY A 59 -0.412 12.698 1.947 1.00 0.00 C ATOM 859 O GLY A 59 0.050 13.427 2.802 1.00 0.00 O ATOM 0 H GLY A 59 -2.550 11.857 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.522 13.027 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.150 14.354 0.771 1.00 0.00 H new ATOM 863 N ASN A 60 -0.338 11.399 2.053 1.00 0.00 N ATOM 864 CA ASN A 60 0.324 10.785 3.240 1.00 0.00 C ATOM 865 C ASN A 60 1.543 9.969 2.802 1.00 0.00 C ATOM 866 O ASN A 60 1.893 8.981 3.417 1.00 0.00 O ATOM 867 CB ASN A 60 -0.738 9.875 3.858 1.00 0.00 C ATOM 868 CG ASN A 60 -1.109 8.774 2.863 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.462 9.053 1.734 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.044 7.525 3.235 1.00 0.00 N ATOM 0 H ASN A 60 -0.707 10.737 1.370 1.00 0.00 H new ATOM 0 HA ASN A 60 0.681 11.533 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.362 9.434 4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.622 10.456 4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.289 6.784 2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.748 7.290 4.182 1.00 0.00 H new ATOM 877 N HIS A 61 2.189 10.374 1.742 1.00 0.00 N ATOM 878 CA HIS A 61 3.387 9.625 1.255 1.00 0.00 C ATOM 879 C HIS A 61 2.980 8.234 0.760 1.00 0.00 C ATOM 880 O HIS A 61 3.815 7.415 0.432 1.00 0.00 O ATOM 881 CB HIS A 61 4.316 9.513 2.469 1.00 0.00 C ATOM 882 CG HIS A 61 4.365 10.831 3.192 1.00 0.00 C ATOM 883 ND1 HIS A 61 4.093 12.033 2.559 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.654 11.151 4.496 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.221 13.012 3.473 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.562 12.530 4.671 1.00 0.00 N ATOM 0 H HIS A 61 1.939 11.194 1.189 1.00 0.00 H new ATOM 0 HA HIS A 61 3.872 10.130 0.419 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.960 8.732 3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.317 9.226 2.148 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.841 12.154 1.578 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.913 10.442 5.268 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.067 14.060 3.263 1.00 0.00 H new ATOM 894 N GLN A 62 1.705 7.961 0.700 1.00 0.00 N ATOM 895 CA GLN A 62 1.244 6.625 0.223 1.00 0.00 C ATOM 896 C GLN A 62 -0.159 6.742 -0.375 1.00 0.00 C ATOM 897 O GLN A 62 -0.915 7.631 -0.037 1.00 0.00 O ATOM 898 CB GLN A 62 1.217 5.736 1.468 1.00 0.00 C ATOM 899 CG GLN A 62 2.508 5.922 2.267 1.00 0.00 C ATOM 900 CD GLN A 62 2.536 4.929 3.430 1.00 0.00 C ATOM 901 OE1 GLN A 62 2.531 3.731 3.222 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.565 5.378 4.655 1.00 0.00 N ATOM 0 H GLN A 62 0.960 8.607 0.961 1.00 0.00 H new ATOM 0 HA GLN A 62 1.896 6.218 -0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.356 5.988 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.106 4.691 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.373 5.767 1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.571 6.943 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.569 6.383 4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.583 4.724 5.438 1.00 0.00 H new ATOM 911 N ILE A 63 -0.517 5.853 -1.260 1.00 0.00 N ATOM 912 CA ILE A 63 -1.871 5.920 -1.873 1.00 0.00 C ATOM 913 C ILE A 63 -2.600 4.584 -1.703 1.00 0.00 C ATOM 914 O ILE A 63 -1.988 3.543 -1.577 1.00 0.00 O ATOM 915 CB ILE A 63 -1.624 6.209 -3.355 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.157 4.932 -4.058 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.551 7.291 -3.499 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.370 4.207 -4.648 1.00 0.00 C ATOM 0 H ILE A 63 0.070 5.084 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.494 6.683 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.551 6.556 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.446 5.177 -4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.639 4.283 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.378 7.494 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.885 8.203 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.376 6.948 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.041 3.297 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.065 3.950 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.869 4.857 -5.367 1.00 0.00 H new ATOM 930 N GLU A 64 -3.904 4.607 -1.712 1.00 0.00 N ATOM 931 CA GLU A 64 -4.672 3.340 -1.569 1.00 0.00 C ATOM 932 C GLU A 64 -5.251 2.943 -2.927 1.00 0.00 C ATOM 933 O GLU A 64 -5.275 3.732 -3.851 1.00 0.00 O ATOM 934 CB GLU A 64 -5.792 3.660 -0.576 1.00 0.00 C ATOM 935 CG GLU A 64 -5.224 4.463 0.596 1.00 0.00 C ATOM 936 CD GLU A 64 -5.819 3.944 1.906 1.00 0.00 C ATOM 937 OE1 GLU A 64 -5.801 2.742 2.108 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.283 4.760 2.687 1.00 0.00 O ATOM 0 H GLU A 64 -4.471 5.449 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.056 2.511 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.580 4.228 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.244 2.737 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.138 4.376 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.456 5.521 0.473 1.00 0.00 H new ATOM 945 N PHE A 65 -5.713 1.732 -3.067 1.00 0.00 N ATOM 946 CA PHE A 65 -6.278 1.312 -4.381 1.00 0.00 C ATOM 947 C PHE A 65 -7.191 2.407 -4.937 1.00 0.00 C ATOM 948 O PHE A 65 -6.852 3.081 -5.889 1.00 0.00 O ATOM 949 CB PHE A 65 -7.083 0.047 -4.100 1.00 0.00 C ATOM 950 CG PHE A 65 -7.882 -0.288 -5.332 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.220 -0.609 -6.522 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.280 -0.260 -5.292 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.956 -0.903 -7.673 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.016 -0.553 -6.445 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.354 -0.875 -7.634 1.00 0.00 C ATOM 0 H PHE A 65 -5.725 1.020 -2.336 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.495 1.135 -5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.418 -0.777 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.745 0.200 -3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.141 -0.630 -6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.790 -0.013 -4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.446 -1.152 -8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.095 -0.531 -6.417 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.923 -1.102 -8.523 1.00 0.00 H new ATOM 965 N SER A 66 -8.349 2.576 -4.353 1.00 0.00 N ATOM 966 CA SER A 66 -9.304 3.622 -4.836 1.00 0.00 C ATOM 967 C SER A 66 -8.550 4.859 -5.336 1.00 0.00 C ATOM 968 O SER A 66 -8.900 5.442 -6.343 1.00 0.00 O ATOM 969 CB SER A 66 -10.153 3.972 -3.614 1.00 0.00 C ATOM 970 OG SER A 66 -10.315 2.813 -2.807 1.00 0.00 O ATOM 0 H SER A 66 -8.678 2.031 -3.556 1.00 0.00 H new ATOM 0 HA SER A 66 -9.908 3.268 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.675 4.765 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.126 4.349 -3.929 1.00 0.00 H new ATOM 0 HG SER A 66 -10.858 3.035 -2.022 1.00 0.00 H new ATOM 976 N GLU A 67 -7.512 5.259 -4.650 1.00 0.00 N ATOM 977 CA GLU A 67 -6.740 6.449 -5.108 1.00 0.00 C ATOM 978 C GLU A 67 -6.061 6.124 -6.438 1.00 0.00 C ATOM 979 O GLU A 67 -6.082 6.907 -7.368 1.00 0.00 O ATOM 980 CB GLU A 67 -5.703 6.700 -4.012 1.00 0.00 C ATOM 981 CG GLU A 67 -6.408 6.781 -2.657 1.00 0.00 C ATOM 982 CD GLU A 67 -5.503 7.497 -1.652 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.453 7.965 -2.060 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.876 7.564 -0.492 1.00 0.00 O ATOM 0 H GLU A 67 -7.168 4.816 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.366 7.327 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.965 5.898 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.164 7.627 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.352 7.316 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.646 5.780 -2.299 1.00 0.00 H new ATOM 991 N PHE A 68 -5.476 4.963 -6.541 1.00 0.00 N ATOM 992 CA PHE A 68 -4.814 4.568 -7.814 1.00 0.00 C ATOM 993 C PHE A 68 -5.828 4.669 -8.957 1.00 0.00 C ATOM 994 O PHE A 68 -5.485 4.962 -10.085 1.00 0.00 O ATOM 995 CB PHE A 68 -4.372 3.117 -7.582 1.00 0.00 C ATOM 996 CG PHE A 68 -4.277 2.375 -8.897 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.518 2.903 -9.949 1.00 0.00 C ATOM 998 CD2 PHE A 68 -4.945 1.156 -9.058 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.429 2.211 -11.163 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.856 0.464 -10.272 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.098 0.991 -11.323 1.00 0.00 C ATOM 0 H PHE A 68 -5.428 4.269 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.969 5.202 -8.082 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.406 3.101 -7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.082 2.615 -6.925 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.002 3.843 -9.824 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.529 0.749 -8.246 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.845 2.618 -11.975 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.372 -0.476 -10.397 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.029 0.456 -12.259 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.080 4.437 -8.665 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.126 4.528 -9.723 1.00 0.00 C ATOM 1013 C LEU A 69 -8.377 5.996 -10.072 1.00 0.00 C ATOM 1014 O LEU A 69 -8.619 6.344 -11.211 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.377 3.908 -9.098 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.385 2.400 -9.350 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.633 2.130 -10.833 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.033 1.807 -8.946 1.00 0.00 C ATOM 0 H LEU A 69 -7.423 4.188 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.837 4.019 -10.642 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.397 4.108 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.272 4.362 -9.524 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.177 1.940 -8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.638 1.055 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.596 2.551 -11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.842 2.592 -11.424 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.039 0.732 -9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.242 2.269 -9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.854 1.997 -7.888 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.317 6.858 -9.095 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.547 8.307 -9.357 1.00 0.00 C ATOM 1032 C ALA A 70 -7.521 8.828 -10.367 1.00 0.00 C ATOM 1033 O ALA A 70 -7.857 9.524 -11.305 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.359 8.986 -7.999 1.00 0.00 C ATOM 0 H ALA A 70 -8.118 6.621 -8.123 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.533 8.503 -9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.512 10.060 -8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.082 8.585 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.349 8.797 -7.635 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.273 8.497 -10.183 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.226 8.972 -11.133 1.00 0.00 C ATOM 1042 C LEU A 71 -5.134 8.028 -12.335 1.00 0.00 C ATOM 1043 O LEU A 71 -5.045 8.458 -13.468 1.00 0.00 O ATOM 1044 CB LEU A 71 -3.924 8.948 -10.331 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.179 10.270 -10.528 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.018 10.548 -12.024 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -3.977 11.405 -9.883 1.00 0.00 C ATOM 0 H LEU A 71 -5.932 7.918 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.445 9.965 -11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.139 8.793 -9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.300 8.115 -10.655 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.195 10.205 -10.063 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.487 11.490 -12.164 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.451 9.740 -12.485 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.001 10.613 -12.490 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.447 12.347 -10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.960 11.469 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.093 11.208 -8.817 1.00 0.00 H new ATOM 1059 N MET A 72 -5.154 6.745 -12.097 1.00 0.00 N ATOM 1060 CA MET A 72 -5.066 5.775 -13.226 1.00 0.00 C ATOM 1061 C MET A 72 -6.225 5.992 -14.203 1.00 0.00 C ATOM 1062 O MET A 72 -6.037 6.452 -15.311 1.00 0.00 O ATOM 1063 CB MET A 72 -5.166 4.396 -12.573 1.00 0.00 C ATOM 1064 CG MET A 72 -4.973 3.312 -13.636 1.00 0.00 C ATOM 1065 SD MET A 72 -3.353 3.517 -14.418 1.00 0.00 S ATOM 1066 CE MET A 72 -2.922 1.762 -14.510 1.00 0.00 C ATOM 0 H MET A 72 -5.227 6.326 -11.170 1.00 0.00 H new ATOM 0 HA MET A 72 -4.145 5.890 -13.797 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.410 4.295 -11.794 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.137 4.279 -12.092 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.047 2.324 -13.181 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.762 3.378 -14.385 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.480 1.546 -15.483 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.205 1.522 -13.725 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.821 1.159 -14.378 1.00 0.00 H new ATOM 1076 N SER A 73 -7.422 5.664 -13.799 1.00 0.00 N ATOM 1077 CA SER A 73 -8.592 5.851 -14.705 1.00 0.00 C ATOM 1078 C SER A 73 -8.684 7.310 -15.157 1.00 0.00 C ATOM 1079 O SER A 73 -7.725 8.054 -15.090 1.00 0.00 O ATOM 1080 CB SER A 73 -9.809 5.474 -13.860 1.00 0.00 C ATOM 1081 OG SER A 73 -10.252 6.615 -13.139 1.00 0.00 O ATOM 0 H SER A 73 -7.641 5.275 -12.882 1.00 0.00 H new ATOM 0 HA SER A 73 -8.517 5.244 -15.607 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.609 5.101 -14.500 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.552 4.671 -13.170 1.00 0.00 H new ATOM 0 HG SER A 73 -9.871 6.599 -12.236 1.00 0.00 H new ATOM 1087 N ARG A 74 -9.833 7.727 -15.617 1.00 0.00 N ATOM 1088 CA ARG A 74 -9.985 9.138 -16.073 1.00 0.00 C ATOM 1089 C ARG A 74 -9.304 10.089 -15.086 1.00 0.00 C ATOM 1090 O ARG A 74 -9.597 10.090 -13.907 1.00 0.00 O ATOM 1091 CB ARG A 74 -11.494 9.384 -16.101 1.00 0.00 C ATOM 1092 CG ARG A 74 -11.873 10.085 -17.408 1.00 0.00 C ATOM 1093 CD ARG A 74 -11.523 9.182 -18.592 1.00 0.00 C ATOM 1094 NE ARG A 74 -10.280 9.767 -19.167 1.00 0.00 N ATOM 1095 CZ ARG A 74 -9.762 9.261 -20.253 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -10.531 8.691 -21.139 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -8.473 9.324 -20.451 1.00 0.00 N ATOM 0 H ARG A 74 -10.672 7.152 -15.696 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.526 9.310 -17.047 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.029 8.438 -16.015 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.789 9.996 -15.249 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.939 10.314 -17.414 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.343 11.034 -17.491 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.363 8.153 -18.270 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.328 9.165 -19.327 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.833 10.563 -18.712 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.538 8.640 -20.983 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.126 8.296 -21.987 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.872 9.768 -19.757 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.067 8.929 -21.299 1.00 0.00 H new ATOM 1111 N GLN A 75 -8.397 10.900 -15.558 1.00 0.00 N ATOM 1112 CA GLN A 75 -7.698 11.851 -14.646 1.00 0.00 C ATOM 1113 C GLN A 75 -8.602 13.045 -14.333 1.00 0.00 C ATOM 1114 O GLN A 75 -8.931 13.304 -13.193 1.00 0.00 O ATOM 1115 CB GLN A 75 -6.459 12.304 -15.420 1.00 0.00 C ATOM 1116 CG GLN A 75 -5.729 13.388 -14.626 1.00 0.00 C ATOM 1117 CD GLN A 75 -4.325 12.899 -14.266 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -3.835 13.164 -13.186 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -3.652 12.191 -15.131 1.00 0.00 N ATOM 0 H GLN A 75 -8.109 10.946 -16.536 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.437 11.392 -13.692 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.796 11.457 -15.594 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.749 12.688 -16.398 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.667 14.304 -15.213 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.286 13.627 -13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.063 11.968 -16.038 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.715 11.860 -14.901 1.00 0.00 H new ATOM 1128 N LEU A 76 -9.006 13.774 -15.337 1.00 0.00 N ATOM 1129 CA LEU A 76 -9.890 14.951 -15.096 1.00 0.00 C ATOM 1130 C LEU A 76 -9.396 15.743 -13.881 1.00 0.00 C ATOM 1131 O LEU A 76 -10.004 15.729 -12.830 1.00 0.00 O ATOM 1132 CB LEU A 76 -11.273 14.358 -14.823 1.00 0.00 C ATOM 1133 CG LEU A 76 -12.330 15.154 -15.590 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -12.177 16.644 -15.275 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -12.142 14.931 -17.093 1.00 0.00 C ATOM 0 H LEU A 76 -8.763 13.606 -16.313 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.901 15.639 -15.941 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.298 13.312 -15.128 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -11.487 14.384 -13.755 1.00 0.00 H new ATOM 0 HG LEU A 76 -13.324 14.820 -15.292 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -12.931 17.211 -15.822 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.308 16.805 -14.205 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.184 16.979 -15.574 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.894 15.497 -17.642 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.148 15.266 -17.389 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.250 13.870 -17.320 1.00 0.00 H new ATOM 1147 N LYS A 77 -8.297 16.434 -14.019 1.00 0.00 N ATOM 1148 CA LYS A 77 -7.765 17.226 -12.874 1.00 0.00 C ATOM 1149 C LYS A 77 -6.572 18.073 -13.324 1.00 0.00 C ATOM 1150 O LYS A 77 -6.797 19.181 -13.780 1.00 0.00 O ATOM 1151 CB LYS A 77 -7.326 16.184 -11.843 1.00 0.00 C ATOM 1152 CG LYS A 77 -7.000 16.880 -10.521 1.00 0.00 C ATOM 1153 CD LYS A 77 -6.133 15.961 -9.659 1.00 0.00 C ATOM 1154 CE LYS A 77 -4.815 16.663 -9.327 1.00 0.00 C ATOM 1155 NZ LYS A 77 -4.075 16.719 -10.619 1.00 0.00 N ATOM 1156 OXT LYS A 77 -5.455 17.597 -13.205 1.00 0.00 O ATOM 0 H LYS A 77 -7.745 16.484 -14.875 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.506 17.915 -12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.117 15.449 -11.694 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.452 15.643 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.477 17.817 -10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.920 17.130 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.660 15.702 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.937 15.028 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.989 17.662 -8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.253 16.112 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.103 17.046 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.051 15.771 -11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.554 17.378 -11.265 1.00 0.00 H new TER 1170 LYS A 77 HETATM 1171 CA CA A 101 2.071 -1.542 1.467 1.00 0.00 CA HETATM 1172 CA CA A 102 -3.351 7.674 0.396 1.00 0.00 CA