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 36 MET CE :methyl 165:sc= -1.34 (180deg=-1.95) USER MOD Set 1.2: A 72 MET CE :methyl -92:sc= -0.382 (180deg=-1.33) USER MOD Set 2.1: A 5 THR OG1 : rot 79:sc= -0.969! USER MOD Set 2.2: A 8 GLN : amide:sc= -0.149 K(o=-1.1,f=-4.1!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.3!) 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= -0.266 K(o=-0.27,f=-2.5!) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 26 SER OG : rot -85:sc= 0.27 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 107:sc= -0.804! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.317 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.825 K(o=-0.82,f=-3.5!) USER MOD Single : A 52 MET CE :methyl -174:sc= -1.69 (180deg=-1.91) USER MOD Single : A 53 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.00069) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.149 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.9!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.346 0.372 -22.198 1.00 0.00 N ATOM 2 CA SER A 1 -13.515 -0.565 -21.049 1.00 0.00 C ATOM 3 C SER A 1 -12.152 -1.096 -20.595 1.00 0.00 C ATOM 4 O SER A 1 -11.386 -1.619 -21.379 1.00 0.00 O ATOM 5 CB SER A 1 -14.380 -1.702 -21.591 1.00 0.00 C ATOM 6 OG SER A 1 -14.016 -2.915 -20.947 1.00 0.00 O ATOM 0 H1 SER A 1 -14.277 0.726 -22.497 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.748 1.172 -21.908 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.895 -0.128 -22.990 1.00 0.00 H new ATOM 0 HA SER A 1 -13.971 -0.082 -20.185 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.434 -1.487 -21.418 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.246 -1.794 -22.669 1.00 0.00 H new ATOM 0 HG SER A 1 -14.570 -3.647 -21.291 1.00 0.00 H new ATOM 14 N SER A 2 -11.845 -0.966 -19.333 1.00 0.00 N ATOM 15 CA SER A 2 -10.533 -1.464 -18.830 1.00 0.00 C ATOM 16 C SER A 2 -10.378 -2.955 -19.143 1.00 0.00 C ATOM 17 O SER A 2 -11.347 -3.666 -19.318 1.00 0.00 O ATOM 18 CB SER A 2 -10.575 -1.235 -17.319 1.00 0.00 C ATOM 19 OG SER A 2 -11.168 -2.363 -16.690 1.00 0.00 O ATOM 0 H SER A 2 -12.445 -0.537 -18.629 1.00 0.00 H new ATOM 0 HA SER A 2 -9.691 -0.953 -19.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.567 -1.078 -16.935 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.146 -0.335 -17.092 1.00 0.00 H new ATOM 0 HG SER A 2 -11.195 -2.220 -15.721 1.00 0.00 H new ATOM 25 N ASN A 3 -9.165 -3.433 -19.213 1.00 0.00 N ATOM 26 CA ASN A 3 -8.950 -4.877 -19.515 1.00 0.00 C ATOM 27 C ASN A 3 -8.905 -5.688 -18.216 1.00 0.00 C ATOM 28 O ASN A 3 -8.925 -6.902 -18.230 1.00 0.00 O ATOM 29 CB ASN A 3 -7.600 -4.935 -20.230 1.00 0.00 C ATOM 30 CG ASN A 3 -7.806 -4.700 -21.729 1.00 0.00 C ATOM 31 OD1 ASN A 3 -8.882 -4.919 -22.247 1.00 0.00 O ATOM 32 ND2 ASN A 3 -6.811 -4.261 -22.450 1.00 0.00 N ATOM 0 H ASN A 3 -8.315 -2.887 -19.074 1.00 0.00 H new ATOM 0 HA ASN A 3 -9.752 -5.296 -20.123 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.927 -4.181 -19.822 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.130 -5.904 -20.064 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.937 -4.102 -23.450 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.907 -4.077 -22.014 1.00 0.00 H new ATOM 39 N LEU A 4 -8.844 -5.024 -17.095 1.00 0.00 N ATOM 40 CA LEU A 4 -8.797 -5.757 -15.797 1.00 0.00 C ATOM 41 C LEU A 4 -10.048 -6.626 -15.635 1.00 0.00 C ATOM 42 O LEU A 4 -10.992 -6.519 -16.392 1.00 0.00 O ATOM 43 CB LEU A 4 -8.761 -4.666 -14.726 1.00 0.00 C ATOM 44 CG LEU A 4 -7.839 -5.101 -13.585 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.424 -4.582 -13.845 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.357 -4.526 -12.265 1.00 0.00 C ATOM 0 H LEU A 4 -8.825 -4.007 -17.021 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.936 -6.422 -15.730 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.407 -3.730 -15.157 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.766 -4.482 -14.346 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.822 -6.189 -13.527 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.768 -4.892 -13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.054 -4.990 -14.786 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.441 -3.494 -13.903 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.701 -4.835 -11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.374 -3.438 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.366 -4.895 -12.078 1.00 0.00 H new ATOM 58 N THR A 5 -10.062 -7.484 -14.652 1.00 0.00 N ATOM 59 CA THR A 5 -11.252 -8.359 -14.443 1.00 0.00 C ATOM 60 C THR A 5 -11.223 -8.963 -13.036 1.00 0.00 C ATOM 61 O THR A 5 -10.509 -8.502 -12.167 1.00 0.00 O ATOM 62 CB THR A 5 -11.129 -9.458 -15.501 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.230 -9.036 -16.517 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.503 -9.734 -16.113 1.00 0.00 C ATOM 0 H THR A 5 -9.302 -7.617 -13.985 1.00 0.00 H new ATOM 0 HA THR A 5 -12.189 -7.810 -14.534 1.00 0.00 H new ATOM 0 HB THR A 5 -10.751 -10.369 -15.038 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.308 -9.152 -16.207 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.415 -10.517 -16.866 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.191 -10.058 -15.332 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.884 -8.824 -16.577 1.00 0.00 H new ATOM 72 N GLU A 6 -11.992 -9.992 -12.805 1.00 0.00 N ATOM 73 CA GLU A 6 -12.007 -10.623 -11.455 1.00 0.00 C ATOM 74 C GLU A 6 -10.625 -11.193 -11.123 1.00 0.00 C ATOM 75 O GLU A 6 -9.919 -10.682 -10.277 1.00 0.00 O ATOM 76 CB GLU A 6 -13.041 -11.745 -11.554 1.00 0.00 C ATOM 77 CG GLU A 6 -14.440 -11.173 -11.316 1.00 0.00 C ATOM 78 CD GLU A 6 -15.085 -11.881 -10.123 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.731 -13.022 -9.873 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.921 -11.270 -9.479 1.00 0.00 O ATOM 0 H GLU A 6 -12.610 -10.423 -13.493 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.254 -9.910 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.991 -12.214 -12.536 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.824 -12.520 -10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.379 -10.101 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.055 -11.305 -12.206 1.00 0.00 H new ATOM 87 N GLU A 7 -10.234 -12.249 -11.783 1.00 0.00 N ATOM 88 CA GLU A 7 -8.898 -12.849 -11.505 1.00 0.00 C ATOM 89 C GLU A 7 -7.839 -11.751 -11.390 1.00 0.00 C ATOM 90 O GLU A 7 -7.010 -11.765 -10.500 1.00 0.00 O ATOM 91 CB GLU A 7 -8.610 -13.748 -12.707 1.00 0.00 C ATOM 92 CG GLU A 7 -9.152 -15.154 -12.436 1.00 0.00 C ATOM 93 CD GLU A 7 -8.235 -15.874 -11.448 1.00 0.00 C ATOM 94 OE1 GLU A 7 -7.296 -16.512 -11.897 1.00 0.00 O ATOM 95 OE2 GLU A 7 -8.485 -15.776 -10.257 1.00 0.00 O ATOM 0 H GLU A 7 -10.781 -12.722 -12.502 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.882 -13.405 -10.567 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.074 -13.335 -13.603 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.537 -13.790 -12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.163 -15.094 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.214 -15.717 -13.367 1.00 0.00 H new ATOM 102 N GLN A 8 -7.859 -10.798 -12.280 1.00 0.00 N ATOM 103 CA GLN A 8 -6.852 -9.699 -12.219 1.00 0.00 C ATOM 104 C GLN A 8 -6.802 -9.109 -10.807 1.00 0.00 C ATOM 105 O GLN A 8 -5.776 -9.117 -10.156 1.00 0.00 O ATOM 106 CB GLN A 8 -7.343 -8.654 -13.221 1.00 0.00 C ATOM 107 CG GLN A 8 -6.149 -8.079 -13.986 1.00 0.00 C ATOM 108 CD GLN A 8 -6.191 -8.564 -15.437 1.00 0.00 C ATOM 109 OE1 GLN A 8 -7.242 -8.893 -15.949 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.085 -8.619 -16.125 1.00 0.00 N ATOM 0 H GLN A 8 -8.528 -10.732 -13.047 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.846 -10.046 -12.455 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.050 -9.106 -13.916 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.873 -7.856 -12.700 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.174 -6.990 -13.955 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.217 -8.390 -13.514 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.202 -8.343 -15.695 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.102 -8.938 -17.094 1.00 0.00 H new ATOM 119 N ILE A 9 -7.903 -8.598 -10.329 1.00 0.00 N ATOM 120 CA ILE A 9 -7.918 -8.009 -8.959 1.00 0.00 C ATOM 121 C ILE A 9 -7.376 -9.021 -7.947 1.00 0.00 C ATOM 122 O ILE A 9 -6.668 -8.671 -7.022 1.00 0.00 O ATOM 123 CB ILE A 9 -9.388 -7.701 -8.676 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.899 -6.680 -9.694 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.527 -7.126 -7.266 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.365 -6.355 -9.402 1.00 0.00 C ATOM 0 H ILE A 9 -8.793 -8.563 -10.827 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.295 -7.118 -8.884 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.973 -8.618 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.298 -5.772 -9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.798 -7.077 -10.704 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.575 -6.906 -7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.162 -7.852 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.943 -6.209 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.728 -5.627 -10.128 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.960 -7.265 -9.472 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.453 -5.940 -8.398 1.00 0.00 H new ATOM 138 N ALA A 10 -7.702 -10.274 -8.112 1.00 0.00 N ATOM 139 CA ALA A 10 -7.204 -11.307 -7.160 1.00 0.00 C ATOM 140 C ALA A 10 -5.674 -11.285 -7.111 1.00 0.00 C ATOM 141 O ALA A 10 -5.079 -11.107 -6.066 1.00 0.00 O ATOM 142 CB ALA A 10 -7.704 -12.638 -7.722 1.00 0.00 C ATOM 0 H ALA A 10 -8.292 -10.627 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.557 -11.137 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.377 -13.452 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.793 -12.627 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.299 -12.785 -8.723 1.00 0.00 H new ATOM 148 N GLU A 11 -5.033 -11.461 -8.234 1.00 0.00 N ATOM 149 CA GLU A 11 -3.542 -11.447 -8.250 1.00 0.00 C ATOM 150 C GLU A 11 -3.020 -10.176 -7.576 1.00 0.00 C ATOM 151 O GLU A 11 -1.997 -10.183 -6.921 1.00 0.00 O ATOM 152 CB GLU A 11 -3.162 -11.465 -9.731 1.00 0.00 C ATOM 153 CG GLU A 11 -2.999 -12.912 -10.200 1.00 0.00 C ATOM 154 CD GLU A 11 -1.938 -13.609 -9.346 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.946 -12.971 -9.031 1.00 0.00 O ATOM 156 OE2 GLU A 11 -2.135 -14.768 -9.022 1.00 0.00 O ATOM 0 H GLU A 11 -5.476 -11.614 -9.140 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.114 -12.292 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.931 -10.965 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.234 -10.915 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.949 -13.440 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.708 -12.934 -11.250 1.00 0.00 H new ATOM 163 N PHE A 12 -3.719 -9.084 -7.730 1.00 0.00 N ATOM 164 CA PHE A 12 -3.264 -7.813 -7.097 1.00 0.00 C ATOM 165 C PHE A 12 -3.295 -7.947 -5.572 1.00 0.00 C ATOM 166 O PHE A 12 -2.364 -7.573 -4.887 1.00 0.00 O ATOM 167 CB PHE A 12 -4.265 -6.757 -7.564 1.00 0.00 C ATOM 168 CG PHE A 12 -3.895 -6.289 -8.951 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.707 -7.221 -9.978 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.740 -4.922 -9.210 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.364 -6.786 -11.264 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.397 -4.487 -10.496 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.209 -5.419 -11.523 1.00 0.00 C ATOM 0 H PHE A 12 -4.584 -9.017 -8.266 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.242 -7.554 -7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.273 -7.172 -7.566 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.269 -5.914 -6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.826 -8.276 -9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.885 -4.203 -8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.219 -7.505 -12.056 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.278 -3.432 -10.695 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.944 -5.084 -12.515 1.00 0.00 H new ATOM 183 N LYS A 13 -4.360 -8.479 -5.036 1.00 0.00 N ATOM 184 CA LYS A 13 -4.448 -8.638 -3.556 1.00 0.00 C ATOM 185 C LYS A 13 -3.247 -9.438 -3.044 1.00 0.00 C ATOM 186 O LYS A 13 -2.531 -9.004 -2.164 1.00 0.00 O ATOM 187 CB LYS A 13 -5.747 -9.407 -3.316 1.00 0.00 C ATOM 188 CG LYS A 13 -5.888 -9.720 -1.825 1.00 0.00 C ATOM 189 CD LYS A 13 -6.831 -8.706 -1.176 1.00 0.00 C ATOM 190 CE LYS A 13 -6.150 -8.081 0.043 1.00 0.00 C ATOM 191 NZ LYS A 13 -7.138 -8.223 1.149 1.00 0.00 N ATOM 0 H LYS A 13 -5.172 -8.810 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.441 -7.681 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.599 -8.818 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.747 -10.331 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.275 -10.730 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.912 -9.685 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.098 -7.930 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.758 -9.195 -0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.217 -8.592 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.904 -7.034 -0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.743 -7.817 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.014 -7.721 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.347 -9.230 1.300 1.00 0.00 H new ATOM 205 N GLU A 14 -3.021 -10.601 -3.591 1.00 0.00 N ATOM 206 CA GLU A 14 -1.864 -11.423 -3.136 1.00 0.00 C ATOM 207 C GLU A 14 -0.589 -10.577 -3.142 1.00 0.00 C ATOM 208 O GLU A 14 0.227 -10.660 -2.246 1.00 0.00 O ATOM 209 CB GLU A 14 -1.760 -12.560 -4.153 1.00 0.00 C ATOM 210 CG GLU A 14 -2.312 -13.847 -3.539 1.00 0.00 C ATOM 211 CD GLU A 14 -1.153 -14.768 -3.152 1.00 0.00 C ATOM 212 OE1 GLU A 14 -0.465 -14.450 -2.197 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.973 -15.773 -3.819 1.00 0.00 O ATOM 0 H GLU A 14 -3.586 -11.017 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.994 -11.799 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.317 -12.307 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.721 -12.703 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.914 -13.614 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.967 -14.349 -4.250 1.00 0.00 H new ATOM 220 N ALA A 15 -0.414 -9.762 -4.146 1.00 0.00 N ATOM 221 CA ALA A 15 0.806 -8.907 -4.210 1.00 0.00 C ATOM 222 C ALA A 15 0.752 -7.833 -3.121 1.00 0.00 C ATOM 223 O ALA A 15 1.495 -7.871 -2.160 1.00 0.00 O ATOM 224 CB ALA A 15 0.767 -8.264 -5.598 1.00 0.00 C ATOM 0 H ALA A 15 -1.063 -9.651 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 15 1.721 -9.478 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.635 -7.617 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.782 -9.043 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.143 -7.673 -5.700 1.00 0.00 H new ATOM 230 N PHE A 16 -0.123 -6.876 -3.264 1.00 0.00 N ATOM 231 CA PHE A 16 -0.230 -5.798 -2.239 1.00 0.00 C ATOM 232 C PHE A 16 -0.129 -6.390 -0.830 1.00 0.00 C ATOM 233 O PHE A 16 0.638 -5.932 -0.007 1.00 0.00 O ATOM 234 CB PHE A 16 -1.611 -5.184 -2.465 1.00 0.00 C ATOM 235 CG PHE A 16 -1.806 -4.016 -1.527 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.378 -2.737 -1.903 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.419 -4.213 -0.284 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.562 -1.654 -1.034 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.602 -3.130 0.585 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.174 -1.852 0.209 1.00 0.00 C ATOM 0 H PHE A 16 -0.770 -6.793 -4.048 1.00 0.00 H new ATOM 0 HA PHE A 16 0.568 -5.061 -2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.708 -4.853 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.385 -5.933 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.906 -2.586 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.751 -5.199 0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.232 -0.667 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.073 -3.281 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.316 -1.017 0.879 1.00 0.00 H new ATOM 250 N ALA A 17 -0.899 -7.404 -0.545 1.00 0.00 N ATOM 251 CA ALA A 17 -0.849 -8.022 0.811 1.00 0.00 C ATOM 252 C ALA A 17 0.495 -8.725 1.031 1.00 0.00 C ATOM 253 O ALA A 17 0.913 -8.947 2.150 1.00 0.00 O ATOM 254 CB ALA A 17 -1.992 -9.039 0.824 1.00 0.00 C ATOM 0 H ALA A 17 -1.561 -7.832 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.950 -7.280 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.023 -9.539 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.938 -8.526 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.831 -9.778 0.039 1.00 0.00 H new ATOM 260 N LEU A 18 1.174 -9.077 -0.027 1.00 0.00 N ATOM 261 CA LEU A 18 2.487 -9.766 0.129 1.00 0.00 C ATOM 262 C LEU A 18 3.483 -8.854 0.854 1.00 0.00 C ATOM 263 O LEU A 18 4.410 -9.314 1.489 1.00 0.00 O ATOM 264 CB LEU A 18 2.960 -10.051 -1.296 1.00 0.00 C ATOM 265 CG LEU A 18 3.390 -11.515 -1.408 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.583 -11.880 -2.881 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.708 -11.717 -0.658 1.00 0.00 C ATOM 0 H LEU A 18 0.878 -8.918 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 18 2.405 -10.678 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.159 -9.841 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.793 -9.396 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 18 2.621 -12.153 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.889 -12.923 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.645 -11.735 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.352 -11.242 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.015 -12.760 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.476 -11.078 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.573 -11.457 0.392 1.00 0.00 H new ATOM 279 N PHE A 19 3.297 -7.565 0.763 1.00 0.00 N ATOM 280 CA PHE A 19 4.236 -6.629 1.448 1.00 0.00 C ATOM 281 C PHE A 19 3.498 -5.845 2.537 1.00 0.00 C ATOM 282 O PHE A 19 3.926 -4.785 2.949 1.00 0.00 O ATOM 283 CB PHE A 19 4.732 -5.688 0.352 1.00 0.00 C ATOM 284 CG PHE A 19 5.133 -6.491 -0.862 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.158 -6.916 -1.772 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.479 -6.813 -1.078 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.527 -7.660 -2.898 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.848 -7.558 -2.204 1.00 0.00 C ATOM 289 CZ PHE A 19 5.872 -7.982 -3.115 1.00 0.00 C ATOM 0 H PHE A 19 2.539 -7.120 0.246 1.00 0.00 H new ATOM 0 HA PHE A 19 5.059 -7.153 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.949 -4.977 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.581 -5.108 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.120 -6.669 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.232 -6.487 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.774 -7.986 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.886 -7.806 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.157 -8.557 -3.984 1.00 0.00 H new ATOM 299 N ASP A 20 2.393 -6.355 3.004 1.00 0.00 N ATOM 300 CA ASP A 20 1.628 -5.636 4.064 1.00 0.00 C ATOM 301 C ASP A 20 2.433 -5.607 5.367 1.00 0.00 C ATOM 302 O ASP A 20 2.457 -6.563 6.116 1.00 0.00 O ATOM 303 CB ASP A 20 0.345 -6.447 4.246 1.00 0.00 C ATOM 304 CG ASP A 20 0.699 -7.903 4.554 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.866 -8.243 4.450 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.203 -8.653 4.888 1.00 0.00 O ATOM 0 H ASP A 20 1.985 -7.239 2.698 1.00 0.00 H new ATOM 0 HA ASP A 20 1.421 -4.601 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.251 -6.027 5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.263 -6.393 3.343 1.00 0.00 H new ATOM 311 N LYS A 21 3.093 -4.515 5.642 1.00 0.00 N ATOM 312 CA LYS A 21 3.895 -4.424 6.896 1.00 0.00 C ATOM 313 C LYS A 21 2.982 -4.555 8.118 1.00 0.00 C ATOM 314 O LYS A 21 3.276 -5.277 9.050 1.00 0.00 O ATOM 315 CB LYS A 21 4.541 -3.039 6.855 1.00 0.00 C ATOM 316 CG LYS A 21 5.122 -2.705 8.229 1.00 0.00 C ATOM 317 CD LYS A 21 6.018 -3.854 8.698 1.00 0.00 C ATOM 318 CE LYS A 21 6.410 -3.632 10.161 1.00 0.00 C ATOM 319 NZ LYS A 21 7.533 -4.579 10.405 1.00 0.00 N ATOM 0 H LYS A 21 3.112 -3.682 5.053 1.00 0.00 H new ATOM 0 HA LYS A 21 4.639 -5.218 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.327 -3.015 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.802 -2.290 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.696 -1.780 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.317 -2.541 8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.495 -4.804 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.911 -3.910 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.718 -2.601 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.572 -3.832 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.858 -4.487 11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.209 -5.553 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.318 -4.360 9.759 1.00 0.00 H new ATOM 333 N ASP A 22 1.876 -3.863 8.120 1.00 0.00 N ATOM 334 CA ASP A 22 0.946 -3.948 9.283 1.00 0.00 C ATOM 335 C ASP A 22 0.039 -5.175 9.146 1.00 0.00 C ATOM 336 O ASP A 22 -0.742 -5.483 10.024 1.00 0.00 O ATOM 337 CB ASP A 22 0.120 -2.663 9.225 1.00 0.00 C ATOM 338 CG ASP A 22 0.815 -1.571 10.041 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.875 -1.133 9.625 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.277 -1.194 11.068 1.00 0.00 O ATOM 0 H ASP A 22 1.576 -3.243 7.368 1.00 0.00 H new ATOM 0 HA ASP A 22 1.477 -4.049 10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.003 -2.340 8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.881 -2.844 9.617 1.00 0.00 H new ATOM 345 N ASN A 23 0.136 -5.876 8.049 1.00 0.00 N ATOM 346 CA ASN A 23 -0.721 -7.082 7.856 1.00 0.00 C ATOM 347 C ASN A 23 -2.200 -6.693 7.907 1.00 0.00 C ATOM 348 O ASN A 23 -3.055 -7.502 8.208 1.00 0.00 O ATOM 349 CB ASN A 23 -0.368 -8.007 9.021 1.00 0.00 C ATOM 350 CG ASN A 23 -0.955 -9.397 8.766 1.00 0.00 C ATOM 351 OD1 ASN A 23 -1.433 -9.677 7.684 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.939 -10.284 9.722 1.00 0.00 N ATOM 0 H ASN A 23 0.771 -5.667 7.279 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.553 -7.560 6.891 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.714 -8.073 9.132 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.760 -7.601 9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.328 -11.213 9.562 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.538 -10.048 10.630 1.00 0.00 H new ATOM 359 N ASN A 24 -2.510 -5.459 7.615 1.00 0.00 N ATOM 360 CA ASN A 24 -3.935 -5.020 7.647 1.00 0.00 C ATOM 361 C ASN A 24 -4.356 -4.492 6.273 1.00 0.00 C ATOM 362 O ASN A 24 -4.748 -3.350 6.130 1.00 0.00 O ATOM 363 CB ASN A 24 -3.981 -3.902 8.690 1.00 0.00 C ATOM 364 CG ASN A 24 -3.708 -4.485 10.077 1.00 0.00 C ATOM 365 OD1 ASN A 24 -3.977 -5.643 10.326 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.181 -3.725 10.998 1.00 0.00 N ATOM 0 H ASN A 24 -1.839 -4.736 7.356 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.614 -5.836 7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.240 -3.139 8.453 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.956 -3.416 8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.995 -4.104 11.927 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.955 -2.753 10.789 1.00 0.00 H new ATOM 373 N GLY A 25 -4.277 -5.313 5.262 1.00 0.00 N ATOM 374 CA GLY A 25 -4.674 -4.857 3.900 1.00 0.00 C ATOM 375 C GLY A 25 -4.102 -3.463 3.641 1.00 0.00 C ATOM 376 O GLY A 25 -4.720 -2.637 2.999 1.00 0.00 O ATOM 0 H GLY A 25 -3.955 -6.279 5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.307 -5.557 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.760 -4.837 3.814 1.00 0.00 H new ATOM 380 N SER A 26 -2.923 -3.193 4.135 1.00 0.00 N ATOM 381 CA SER A 26 -2.313 -1.851 3.916 1.00 0.00 C ATOM 382 C SER A 26 -0.792 -1.975 3.802 1.00 0.00 C ATOM 383 O SER A 26 -0.162 -2.701 4.545 1.00 0.00 O ATOM 384 CB SER A 26 -2.694 -1.036 5.150 1.00 0.00 C ATOM 385 OG SER A 26 -2.341 -1.764 6.320 1.00 0.00 O ATOM 0 H SER A 26 -2.357 -3.844 4.680 1.00 0.00 H new ATOM 0 HA SER A 26 -2.663 -1.383 2.996 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.181 -0.074 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.764 -0.827 5.146 1.00 0.00 H new ATOM 0 HG SER A 26 -3.064 -2.384 6.550 1.00 0.00 H new ATOM 391 N ILE A 27 -0.197 -1.273 2.876 1.00 0.00 N ATOM 392 CA ILE A 27 1.283 -1.353 2.716 1.00 0.00 C ATOM 393 C ILE A 27 1.888 0.052 2.664 1.00 0.00 C ATOM 394 O ILE A 27 1.192 1.031 2.477 1.00 0.00 O ATOM 395 CB ILE A 27 1.500 -2.080 1.387 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.181 -1.131 0.228 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.578 -3.298 1.314 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.388 -1.858 -1.102 1.00 0.00 C ATOM 0 H ILE A 27 -0.671 -0.648 2.224 1.00 0.00 H new ATOM 0 HA ILE A 27 1.760 -1.872 3.547 1.00 0.00 H new ATOM 0 HB ILE A 27 2.538 -2.405 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.152 -0.779 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.823 -0.252 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.733 -3.815 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.803 -3.975 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.460 -2.973 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.161 -1.181 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.424 -2.188 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.727 -2.723 -1.150 1.00 0.00 H new ATOM 410 N SER A 28 3.178 0.160 2.823 1.00 0.00 N ATOM 411 CA SER A 28 3.825 1.502 2.778 1.00 0.00 C ATOM 412 C SER A 28 4.179 1.861 1.332 1.00 0.00 C ATOM 413 O SER A 28 4.414 1.000 0.508 1.00 0.00 O ATOM 414 CB SER A 28 5.091 1.361 3.621 1.00 0.00 C ATOM 415 OG SER A 28 4.764 1.551 4.992 1.00 0.00 O ATOM 0 H SER A 28 3.812 -0.623 2.982 1.00 0.00 H new ATOM 0 HA SER A 28 3.174 2.291 3.155 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.533 0.375 3.473 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.835 2.094 3.307 1.00 0.00 H new ATOM 0 HG SER A 28 5.573 1.460 5.537 1.00 0.00 H new ATOM 421 N SER A 29 4.217 3.127 1.016 1.00 0.00 N ATOM 422 CA SER A 29 4.554 3.535 -0.378 1.00 0.00 C ATOM 423 C SER A 29 5.729 2.704 -0.902 1.00 0.00 C ATOM 424 O SER A 29 5.643 2.075 -1.938 1.00 0.00 O ATOM 425 CB SER A 29 4.944 5.009 -0.277 1.00 0.00 C ATOM 426 OG SER A 29 6.361 5.124 -0.291 1.00 0.00 O ATOM 0 H SER A 29 4.030 3.895 1.661 1.00 0.00 H new ATOM 0 HA SER A 29 3.723 3.380 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.514 5.568 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.542 5.441 0.639 1.00 0.00 H new ATOM 0 HG SER A 29 6.652 5.478 -1.157 1.00 0.00 H new ATOM 432 N SER A 30 6.825 2.695 -0.194 1.00 0.00 N ATOM 433 CA SER A 30 8.001 1.902 -0.653 1.00 0.00 C ATOM 434 C SER A 30 7.564 0.489 -1.047 1.00 0.00 C ATOM 435 O SER A 30 8.128 -0.122 -1.934 1.00 0.00 O ATOM 436 CB SER A 30 8.942 1.857 0.549 1.00 0.00 C ATOM 437 OG SER A 30 10.038 1.000 0.256 1.00 0.00 O ATOM 0 H SER A 30 6.957 3.202 0.681 1.00 0.00 H new ATOM 0 HA SER A 30 8.480 2.342 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.301 2.859 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.409 1.497 1.429 1.00 0.00 H new ATOM 0 HG SER A 30 10.645 0.970 1.025 1.00 0.00 H new ATOM 443 N GLU A 31 6.562 -0.035 -0.395 1.00 0.00 N ATOM 444 CA GLU A 31 6.088 -1.407 -0.732 1.00 0.00 C ATOM 445 C GLU A 31 5.232 -1.374 -2.002 1.00 0.00 C ATOM 446 O GLU A 31 5.264 -2.284 -2.807 1.00 0.00 O ATOM 447 CB GLU A 31 5.249 -1.843 0.469 1.00 0.00 C ATOM 448 CG GLU A 31 6.047 -1.623 1.756 1.00 0.00 C ATOM 449 CD GLU A 31 7.371 -2.383 1.674 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.393 -3.537 2.069 1.00 0.00 O ATOM 451 OE2 GLU A 31 8.339 -1.800 1.216 1.00 0.00 O ATOM 0 H GLU A 31 6.051 0.428 0.357 1.00 0.00 H new ATOM 0 HA GLU A 31 6.913 -2.093 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.320 -1.274 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.976 -2.894 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.235 -0.559 1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.472 -1.966 2.616 1.00 0.00 H new ATOM 458 N LEU A 32 4.467 -0.333 -2.187 1.00 0.00 N ATOM 459 CA LEU A 32 3.612 -0.245 -3.405 1.00 0.00 C ATOM 460 C LEU A 32 4.472 -0.378 -4.663 1.00 0.00 C ATOM 461 O LEU A 32 4.113 -1.057 -5.604 1.00 0.00 O ATOM 462 CB LEU A 32 2.965 1.139 -3.339 1.00 0.00 C ATOM 463 CG LEU A 32 2.199 1.406 -4.635 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.130 0.329 -4.828 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.530 2.779 -4.557 1.00 0.00 C ATOM 0 H LEU A 32 4.397 0.459 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 32 2.866 -1.039 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.289 1.196 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.729 1.903 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 32 2.891 1.385 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.584 0.520 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.606 -0.650 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.437 0.349 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.984 2.970 -5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.838 2.799 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.291 3.547 -4.420 1.00 0.00 H new ATOM 477 N ALA A 33 5.609 0.262 -4.687 1.00 0.00 N ATOM 478 CA ALA A 33 6.490 0.164 -5.885 1.00 0.00 C ATOM 479 C ALA A 33 6.758 -1.306 -6.215 1.00 0.00 C ATOM 480 O ALA A 33 6.723 -1.712 -7.360 1.00 0.00 O ATOM 481 CB ALA A 33 7.785 0.871 -5.486 1.00 0.00 C ATOM 0 H ALA A 33 5.965 0.847 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 33 6.041 0.614 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.487 0.841 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.569 1.908 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.223 0.368 -4.624 1.00 0.00 H new ATOM 487 N THR A 34 7.022 -2.107 -5.219 1.00 0.00 N ATOM 488 CA THR A 34 7.286 -3.550 -5.476 1.00 0.00 C ATOM 489 C THR A 34 6.035 -4.215 -6.057 1.00 0.00 C ATOM 490 O THR A 34 6.015 -4.631 -7.199 1.00 0.00 O ATOM 491 CB THR A 34 7.621 -4.145 -4.109 1.00 0.00 C ATOM 492 OG1 THR A 34 8.887 -3.662 -3.682 1.00 0.00 O ATOM 493 CG2 THR A 34 7.663 -5.669 -4.218 1.00 0.00 C ATOM 0 H THR A 34 7.066 -1.824 -4.240 1.00 0.00 H new ATOM 0 HA THR A 34 8.093 -3.701 -6.192 1.00 0.00 H new ATOM 0 HB THR A 34 6.860 -3.854 -3.385 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.103 -4.041 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.902 -6.097 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.691 -6.037 -4.548 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.426 -5.961 -4.940 1.00 0.00 H new ATOM 501 N VAL A 35 4.987 -4.312 -5.282 1.00 0.00 N ATOM 502 CA VAL A 35 3.739 -4.944 -5.797 1.00 0.00 C ATOM 503 C VAL A 35 3.453 -4.442 -7.215 1.00 0.00 C ATOM 504 O VAL A 35 2.918 -5.152 -8.044 1.00 0.00 O ATOM 505 CB VAL A 35 2.637 -4.492 -4.837 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.936 -5.015 -3.433 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.579 -2.964 -4.808 1.00 0.00 C ATOM 0 H VAL A 35 4.942 -3.982 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 35 3.812 -6.030 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 35 1.679 -4.886 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.150 -4.693 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.976 -6.104 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.895 -4.622 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.794 -2.643 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.538 -2.570 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.364 -2.589 -5.809 1.00 0.00 H new ATOM 517 N MET A 36 3.812 -3.218 -7.495 1.00 0.00 N ATOM 518 CA MET A 36 3.568 -2.654 -8.852 1.00 0.00 C ATOM 519 C MET A 36 4.303 -3.480 -9.913 1.00 0.00 C ATOM 520 O MET A 36 3.696 -4.058 -10.792 1.00 0.00 O ATOM 521 CB MET A 36 4.130 -1.233 -8.792 1.00 0.00 C ATOM 522 CG MET A 36 3.552 -0.403 -9.941 1.00 0.00 C ATOM 523 SD MET A 36 1.748 -0.349 -9.800 1.00 0.00 S ATOM 524 CE MET A 36 1.660 0.875 -8.470 1.00 0.00 C ATOM 0 H MET A 36 4.266 -2.583 -6.839 1.00 0.00 H new ATOM 0 HA MET A 36 2.512 -2.666 -9.121 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.880 -0.773 -7.836 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.218 -1.258 -8.859 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.960 0.608 -9.915 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.840 -0.838 -10.898 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.643 1.261 -8.398 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.939 0.407 -7.526 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.345 1.695 -8.684 1.00 0.00 H new ATOM 534 N ARG A 37 5.605 -3.538 -9.839 1.00 0.00 N ATOM 535 CA ARG A 37 6.374 -4.325 -10.848 1.00 0.00 C ATOM 536 C ARG A 37 6.152 -5.827 -10.635 1.00 0.00 C ATOM 537 O ARG A 37 6.410 -6.631 -11.508 1.00 0.00 O ATOM 538 CB ARG A 37 7.837 -3.960 -10.600 1.00 0.00 C ATOM 539 CG ARG A 37 8.020 -2.449 -10.753 1.00 0.00 C ATOM 540 CD ARG A 37 9.470 -2.146 -11.139 1.00 0.00 C ATOM 541 NE ARG A 37 10.294 -2.835 -10.108 1.00 0.00 N ATOM 542 CZ ARG A 37 11.265 -2.195 -9.515 1.00 0.00 C ATOM 543 NH1 ARG A 37 11.065 -0.993 -9.049 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.435 -2.758 -9.387 1.00 0.00 N ATOM 0 H ARG A 37 6.169 -3.076 -9.126 1.00 0.00 H new ATOM 0 HA ARG A 37 6.063 -4.102 -11.869 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.136 -4.274 -9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.479 -4.488 -11.305 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.342 -2.065 -11.515 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.768 -1.945 -9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.698 -2.516 -12.139 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.661 -1.073 -11.145 1.00 0.00 H new ATOM 0 HE ARG A 37 10.100 -3.806 -9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.150 -0.553 -9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.824 -0.493 -8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.591 -3.698 -9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.194 -2.258 -8.924 1.00 0.00 H new ATOM 558 N SER A 38 5.679 -6.212 -9.480 1.00 0.00 N ATOM 559 CA SER A 38 5.447 -7.660 -9.213 1.00 0.00 C ATOM 560 C SER A 38 4.272 -8.176 -10.047 1.00 0.00 C ATOM 561 O SER A 38 4.253 -9.317 -10.468 1.00 0.00 O ATOM 562 CB SER A 38 5.121 -7.739 -7.722 1.00 0.00 C ATOM 563 OG SER A 38 6.255 -8.234 -7.020 1.00 0.00 O ATOM 0 H SER A 38 5.443 -5.586 -8.710 1.00 0.00 H new ATOM 0 HA SER A 38 6.311 -8.270 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.847 -6.754 -7.345 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.264 -8.393 -7.559 1.00 0.00 H new ATOM 0 HG SER A 38 6.051 -8.285 -6.063 1.00 0.00 H new ATOM 569 N LEU A 39 3.292 -7.352 -10.289 1.00 0.00 N ATOM 570 CA LEU A 39 2.122 -7.807 -11.095 1.00 0.00 C ATOM 571 C LEU A 39 2.563 -8.144 -12.522 1.00 0.00 C ATOM 572 O LEU A 39 1.981 -8.984 -13.179 1.00 0.00 O ATOM 573 CB LEU A 39 1.150 -6.625 -11.100 1.00 0.00 C ATOM 574 CG LEU A 39 0.364 -6.598 -9.787 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.735 -5.538 -9.873 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.274 -7.966 -9.540 1.00 0.00 C ATOM 0 H LEU A 39 3.249 -6.386 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 39 1.664 -8.705 -10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.698 -5.691 -11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.465 -6.709 -11.944 1.00 0.00 H new ATOM 0 HG LEU A 39 1.042 -6.360 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.295 -5.518 -8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.285 -4.561 -10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.409 -5.779 -10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.833 -7.943 -8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.950 -8.206 -10.361 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.506 -8.725 -9.479 1.00 0.00 H new ATOM 588 N GLY A 40 3.589 -7.499 -13.005 1.00 0.00 N ATOM 589 CA GLY A 40 4.065 -7.788 -14.389 1.00 0.00 C ATOM 590 C GLY A 40 4.271 -6.476 -15.147 1.00 0.00 C ATOM 591 O GLY A 40 4.032 -6.391 -16.335 1.00 0.00 O ATOM 0 H GLY A 40 4.118 -6.786 -12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.999 -8.349 -14.353 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.339 -8.411 -14.911 1.00 0.00 H new ATOM 595 N LEU A 41 4.714 -5.450 -14.472 1.00 0.00 N ATOM 596 CA LEU A 41 4.936 -4.145 -15.158 1.00 0.00 C ATOM 597 C LEU A 41 6.238 -3.504 -14.669 1.00 0.00 C ATOM 598 O LEU A 41 6.951 -4.064 -13.860 1.00 0.00 O ATOM 599 CB LEU A 41 3.734 -3.280 -14.774 1.00 0.00 C ATOM 600 CG LEU A 41 3.441 -3.441 -13.282 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.018 -2.093 -12.695 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.309 -4.455 -13.093 1.00 0.00 C ATOM 0 H LEU A 41 4.932 -5.459 -13.476 1.00 0.00 H new ATOM 0 HA LEU A 41 5.024 -4.259 -16.238 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.938 -2.234 -15.004 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.862 -3.571 -15.360 1.00 0.00 H new ATOM 0 HG LEU A 41 4.337 -3.794 -12.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.809 -2.209 -11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.821 -1.369 -12.830 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.121 -1.740 -13.204 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.098 -4.571 -12.030 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.414 -4.100 -13.604 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.608 -5.416 -13.511 1.00 0.00 H new ATOM 614 N SER A 42 6.552 -2.335 -15.154 1.00 0.00 N ATOM 615 CA SER A 42 7.807 -1.659 -14.716 1.00 0.00 C ATOM 616 C SER A 42 7.802 -0.193 -15.157 1.00 0.00 C ATOM 617 O SER A 42 8.306 0.142 -16.210 1.00 0.00 O ATOM 618 CB SER A 42 8.931 -2.424 -15.414 1.00 0.00 C ATOM 619 OG SER A 42 10.007 -2.610 -14.504 1.00 0.00 O ATOM 0 H SER A 42 5.995 -1.818 -15.834 1.00 0.00 H new ATOM 0 HA SER A 42 7.921 -1.663 -13.632 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.566 -3.389 -15.766 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.272 -1.873 -16.291 1.00 0.00 H new ATOM 0 HG SER A 42 10.729 -3.102 -14.948 1.00 0.00 H new ATOM 625 N PRO A 43 7.227 0.633 -14.327 1.00 0.00 N ATOM 626 CA PRO A 43 7.149 2.086 -14.626 1.00 0.00 C ATOM 627 C PRO A 43 8.529 2.733 -14.485 1.00 0.00 C ATOM 628 O PRO A 43 9.545 2.069 -14.537 1.00 0.00 O ATOM 629 CB PRO A 43 6.185 2.617 -13.569 1.00 0.00 C ATOM 630 CG PRO A 43 6.273 1.640 -12.439 1.00 0.00 C ATOM 631 CD PRO A 43 6.600 0.299 -13.044 1.00 0.00 C ATOM 0 HA PRO A 43 6.817 2.300 -15.642 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.466 3.620 -13.247 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.169 2.680 -13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.042 1.941 -11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.332 1.597 -11.891 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.275 -0.273 -12.407 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.704 -0.306 -13.183 1.00 0.00 H new ATOM 639 N SER A 44 8.575 4.026 -14.308 1.00 0.00 N ATOM 640 CA SER A 44 9.892 4.712 -14.166 1.00 0.00 C ATOM 641 C SER A 44 9.876 5.643 -12.951 1.00 0.00 C ATOM 642 O SER A 44 8.831 6.001 -12.444 1.00 0.00 O ATOM 643 CB SER A 44 10.061 5.515 -15.454 1.00 0.00 C ATOM 644 OG SER A 44 8.790 5.696 -16.064 1.00 0.00 O ATOM 0 H SER A 44 7.759 4.636 -14.256 1.00 0.00 H new ATOM 0 HA SER A 44 10.710 4.008 -14.015 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.514 6.482 -15.236 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.734 4.994 -16.135 1.00 0.00 H new ATOM 0 HG SER A 44 8.894 6.213 -16.890 1.00 0.00 H new ATOM 650 N GLU A 45 11.027 6.038 -12.480 1.00 0.00 N ATOM 651 CA GLU A 45 11.077 6.946 -11.299 1.00 0.00 C ATOM 652 C GLU A 45 10.022 8.047 -11.435 1.00 0.00 C ATOM 653 O GLU A 45 9.093 8.128 -10.657 1.00 0.00 O ATOM 654 CB GLU A 45 12.484 7.546 -11.318 1.00 0.00 C ATOM 655 CG GLU A 45 12.684 8.420 -10.079 1.00 0.00 C ATOM 656 CD GLU A 45 14.179 8.558 -9.787 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.783 7.569 -9.407 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.696 9.652 -9.949 1.00 0.00 O ATOM 0 H GLU A 45 11.935 5.771 -12.862 1.00 0.00 H new ATOM 0 HA GLU A 45 10.871 6.422 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.229 6.751 -11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.625 8.140 -12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.242 9.403 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.175 7.977 -9.223 1.00 0.00 H new ATOM 665 N ALA A 46 10.157 8.894 -12.419 1.00 0.00 N ATOM 666 CA ALA A 46 9.159 9.986 -12.604 1.00 0.00 C ATOM 667 C ALA A 46 7.742 9.441 -12.413 1.00 0.00 C ATOM 668 O ALA A 46 6.933 10.016 -11.711 1.00 0.00 O ATOM 669 CB ALA A 46 9.359 10.467 -14.042 1.00 0.00 C ATOM 0 H ALA A 46 10.914 8.877 -13.102 1.00 0.00 H new ATOM 0 HA ALA A 46 9.290 10.793 -11.883 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.658 11.274 -14.257 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.379 10.830 -14.166 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.182 9.640 -14.730 1.00 0.00 H new ATOM 675 N GLU A 47 7.435 8.332 -13.029 1.00 0.00 N ATOM 676 CA GLU A 47 6.072 7.748 -12.880 1.00 0.00 C ATOM 677 C GLU A 47 5.789 7.444 -11.407 1.00 0.00 C ATOM 678 O GLU A 47 4.675 7.573 -10.938 1.00 0.00 O ATOM 679 CB GLU A 47 6.102 6.457 -13.699 1.00 0.00 C ATOM 680 CG GLU A 47 4.954 6.467 -14.710 1.00 0.00 C ATOM 681 CD GLU A 47 4.585 5.030 -15.079 1.00 0.00 C ATOM 682 OE1 GLU A 47 5.485 4.274 -15.410 1.00 0.00 O ATOM 683 OE2 GLU A 47 3.410 4.707 -15.025 1.00 0.00 O ATOM 0 H GLU A 47 8.069 7.805 -13.629 1.00 0.00 H new ATOM 0 HA GLU A 47 5.290 8.427 -13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.056 6.365 -14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.013 5.594 -13.040 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.089 6.979 -14.288 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.247 7.019 -15.603 1.00 0.00 H new ATOM 690 N VAL A 48 6.791 7.042 -10.673 1.00 0.00 N ATOM 691 CA VAL A 48 6.581 6.732 -9.229 1.00 0.00 C ATOM 692 C VAL A 48 6.338 8.023 -8.443 1.00 0.00 C ATOM 693 O VAL A 48 5.441 8.105 -7.627 1.00 0.00 O ATOM 694 CB VAL A 48 7.879 6.064 -8.773 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.651 5.373 -7.428 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.309 5.025 -9.812 1.00 0.00 C ATOM 0 H VAL A 48 7.745 6.915 -11.010 1.00 0.00 H new ATOM 0 HA VAL A 48 5.714 6.091 -9.066 1.00 0.00 H new ATOM 0 HB VAL A 48 8.659 6.818 -8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.576 4.897 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.343 6.111 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.872 4.618 -7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.234 4.548 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.529 4.271 -9.917 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.470 5.516 -10.772 1.00 0.00 H new ATOM 706 N ASN A 49 7.130 9.032 -8.683 1.00 0.00 N ATOM 707 CA ASN A 49 6.944 10.317 -7.950 1.00 0.00 C ATOM 708 C ASN A 49 5.486 10.772 -8.046 1.00 0.00 C ATOM 709 O ASN A 49 4.858 11.089 -7.055 1.00 0.00 O ATOM 710 CB ASN A 49 7.865 11.312 -8.657 1.00 0.00 C ATOM 711 CG ASN A 49 7.881 12.631 -7.882 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.847 13.131 -7.487 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.022 13.221 -7.646 1.00 0.00 N ATOM 0 H ASN A 49 7.898 9.022 -9.355 1.00 0.00 H new ATOM 0 HA ASN A 49 7.179 10.227 -6.890 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.874 10.905 -8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.521 11.481 -9.677 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.044 14.101 -7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.891 12.802 -7.977 1.00 0.00 H new ATOM 720 N ASP A 50 4.942 10.806 -9.231 1.00 0.00 N ATOM 721 CA ASP A 50 3.524 11.240 -9.388 1.00 0.00 C ATOM 722 C ASP A 50 2.590 10.248 -8.690 1.00 0.00 C ATOM 723 O ASP A 50 1.608 10.628 -8.082 1.00 0.00 O ATOM 724 CB ASP A 50 3.274 11.240 -10.897 1.00 0.00 C ATOM 725 CG ASP A 50 2.280 12.348 -11.250 1.00 0.00 C ATOM 726 OD1 ASP A 50 2.450 13.450 -10.754 1.00 0.00 O ATOM 727 OD2 ASP A 50 1.366 12.077 -12.011 1.00 0.00 O ATOM 0 H ASP A 50 5.417 10.552 -10.097 1.00 0.00 H new ATOM 0 HA ASP A 50 3.339 12.219 -8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.211 11.394 -11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.883 10.272 -11.211 1.00 0.00 H new ATOM 732 N LEU A 51 2.888 8.980 -8.770 1.00 0.00 N ATOM 733 CA LEU A 51 2.018 7.966 -8.110 1.00 0.00 C ATOM 734 C LEU A 51 1.980 8.206 -6.598 1.00 0.00 C ATOM 735 O LEU A 51 0.943 8.127 -5.972 1.00 0.00 O ATOM 736 CB LEU A 51 2.673 6.620 -8.423 1.00 0.00 C ATOM 737 CG LEU A 51 2.070 5.538 -7.527 1.00 0.00 C ATOM 738 CD1 LEU A 51 0.624 5.272 -7.949 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.885 4.249 -7.668 1.00 0.00 C ATOM 0 H LEU A 51 3.697 8.602 -9.264 1.00 0.00 H new ATOM 0 HA LEU A 51 0.988 8.011 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.521 6.365 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.749 6.681 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 51 2.090 5.873 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.195 4.500 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.042 6.189 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.603 4.937 -8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.457 3.476 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.863 3.916 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.916 4.436 -7.369 1.00 0.00 H new ATOM 751 N MET A 52 3.106 8.501 -6.007 1.00 0.00 N ATOM 752 CA MET A 52 3.134 8.747 -4.537 1.00 0.00 C ATOM 753 C MET A 52 2.572 10.136 -4.222 1.00 0.00 C ATOM 754 O MET A 52 1.700 10.289 -3.391 1.00 0.00 O ATOM 755 CB MET A 52 4.612 8.665 -4.149 1.00 0.00 C ATOM 756 CG MET A 52 4.766 7.791 -2.903 1.00 0.00 C ATOM 757 SD MET A 52 5.432 6.177 -3.378 1.00 0.00 S ATOM 758 CE MET A 52 3.915 5.509 -4.104 1.00 0.00 C ATOM 0 H MET A 52 4.007 8.582 -6.478 1.00 0.00 H new ATOM 0 HA MET A 52 2.528 8.027 -3.986 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.192 8.248 -4.972 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.004 9.664 -3.956 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.430 8.274 -2.187 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.801 7.668 -2.410 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.070 4.464 -4.373 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.103 5.581 -3.381 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.657 6.079 -4.997 1.00 0.00 H new ATOM 768 N ASN A 53 3.067 11.148 -4.880 1.00 0.00 N ATOM 769 CA ASN A 53 2.560 12.527 -4.617 1.00 0.00 C ATOM 770 C ASN A 53 1.032 12.557 -4.722 1.00 0.00 C ATOM 771 O ASN A 53 0.380 13.412 -4.157 1.00 0.00 O ATOM 772 CB ASN A 53 3.190 13.395 -5.708 1.00 0.00 C ATOM 773 CG ASN A 53 4.199 14.355 -5.077 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.257 15.515 -5.435 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.004 13.919 -4.146 1.00 0.00 N ATOM 0 H ASN A 53 3.799 11.081 -5.587 1.00 0.00 H new ATOM 0 HA ASN A 53 2.817 12.879 -3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.684 12.766 -6.448 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.417 13.956 -6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.681 14.552 -3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.956 12.946 -3.845 1.00 0.00 H new ATOM 782 N GLU A 54 0.460 11.630 -5.439 1.00 0.00 N ATOM 783 CA GLU A 54 -1.025 11.606 -5.578 1.00 0.00 C ATOM 784 C GLU A 54 -1.658 10.896 -4.377 1.00 0.00 C ATOM 785 O GLU A 54 -2.864 10.820 -4.255 1.00 0.00 O ATOM 786 CB GLU A 54 -1.290 10.824 -6.865 1.00 0.00 C ATOM 787 CG GLU A 54 -1.908 11.755 -7.910 1.00 0.00 C ATOM 788 CD GLU A 54 -0.859 12.763 -8.381 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.170 12.863 -7.735 1.00 0.00 O ATOM 790 OE2 GLU A 54 -1.104 13.419 -9.381 1.00 0.00 O ATOM 0 H GLU A 54 0.955 10.888 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.452 12.608 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.360 10.401 -7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.961 9.989 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.276 11.175 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.765 12.278 -7.485 1.00 0.00 H new ATOM 797 N ILE A 55 -0.853 10.375 -3.493 1.00 0.00 N ATOM 798 CA ILE A 55 -1.409 9.669 -2.302 1.00 0.00 C ATOM 799 C ILE A 55 -0.590 10.009 -1.054 1.00 0.00 C ATOM 800 O ILE A 55 -1.127 10.225 0.013 1.00 0.00 O ATOM 801 CB ILE A 55 -1.292 8.181 -2.633 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.736 7.355 -1.424 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.161 7.846 -2.972 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.366 5.887 -1.644 1.00 0.00 C ATOM 0 H ILE A 55 0.165 10.407 -3.543 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.439 9.960 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.927 7.948 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.258 7.730 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.812 7.452 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.244 6.785 -3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.479 8.435 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.797 8.079 -2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.682 5.299 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.865 5.516 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.287 5.798 -1.767 1.00 0.00 H new ATOM 816 N ASP A 56 0.707 10.058 -1.182 1.00 0.00 N ATOM 817 CA ASP A 56 1.560 10.383 -0.002 1.00 0.00 C ATOM 818 C ASP A 56 0.980 11.580 0.757 1.00 0.00 C ATOM 819 O ASP A 56 0.658 12.598 0.177 1.00 0.00 O ATOM 820 CB ASP A 56 2.929 10.733 -0.588 1.00 0.00 C ATOM 821 CG ASP A 56 3.894 11.087 0.545 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.637 12.061 1.233 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.874 10.379 0.705 1.00 0.00 O ATOM 0 H ASP A 56 1.214 9.888 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 56 1.618 9.556 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.317 9.891 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.837 11.572 -1.277 1.00 0.00 H new ATOM 828 N VAL A 57 0.842 11.464 2.050 1.00 0.00 N ATOM 829 CA VAL A 57 0.282 12.595 2.844 1.00 0.00 C ATOM 830 C VAL A 57 1.408 13.350 3.554 1.00 0.00 C ATOM 831 O VAL A 57 1.335 14.547 3.755 1.00 0.00 O ATOM 832 CB VAL A 57 -0.651 11.939 3.862 1.00 0.00 C ATOM 833 CG1 VAL A 57 0.180 11.213 4.922 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.506 13.015 4.535 1.00 0.00 C ATOM 0 H VAL A 57 1.092 10.636 2.590 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.241 13.320 2.220 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.298 11.223 3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.485 10.745 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.791 10.448 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.826 11.928 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.172 12.549 5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.858 13.730 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.098 13.534 3.781 1.00 0.00 H new ATOM 844 N ASP A 58 2.448 12.662 3.938 1.00 0.00 N ATOM 845 CA ASP A 58 3.577 13.342 4.635 1.00 0.00 C ATOM 846 C ASP A 58 4.690 12.337 4.945 1.00 0.00 C ATOM 847 O ASP A 58 4.622 11.600 5.910 1.00 0.00 O ATOM 848 CB ASP A 58 2.971 13.889 5.928 1.00 0.00 C ATOM 849 CG ASP A 58 2.705 15.387 5.774 1.00 0.00 C ATOM 850 OD1 ASP A 58 3.662 16.125 5.606 1.00 0.00 O ATOM 851 OD2 ASP A 58 1.548 15.771 5.825 1.00 0.00 O ATOM 0 H ASP A 58 2.565 11.658 3.799 1.00 0.00 H new ATOM 0 HA ASP A 58 4.023 14.130 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.043 13.366 6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.650 13.713 6.763 1.00 0.00 H new ATOM 856 N GLY A 59 5.713 12.302 4.136 1.00 0.00 N ATOM 857 CA GLY A 59 6.828 11.344 4.387 1.00 0.00 C ATOM 858 C GLY A 59 6.356 9.921 4.088 1.00 0.00 C ATOM 859 O GLY A 59 6.360 9.479 2.957 1.00 0.00 O ATOM 0 H GLY A 59 5.826 12.894 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.684 11.594 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.159 11.418 5.423 1.00 0.00 H new ATOM 863 N ASN A 60 5.949 9.197 5.095 1.00 0.00 N ATOM 864 CA ASN A 60 5.476 7.801 4.868 1.00 0.00 C ATOM 865 C ASN A 60 3.969 7.705 5.118 1.00 0.00 C ATOM 866 O ASN A 60 3.333 8.663 5.512 1.00 0.00 O ATOM 867 CB ASN A 60 6.244 6.954 5.883 1.00 0.00 C ATOM 868 CG ASN A 60 6.808 5.712 5.189 1.00 0.00 C ATOM 869 OD1 ASN A 60 6.213 4.654 5.232 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.941 5.797 4.547 1.00 0.00 N ATOM 0 H ASN A 60 5.923 9.511 6.065 1.00 0.00 H new ATOM 0 HA ASN A 60 5.648 7.467 3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.053 7.538 6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.585 6.660 6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.326 4.975 4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.441 6.685 4.511 1.00 0.00 H new ATOM 877 N HIS A 61 3.393 6.556 4.893 1.00 0.00 N ATOM 878 CA HIS A 61 1.927 6.400 5.118 1.00 0.00 C ATOM 879 C HIS A 61 1.502 4.955 4.846 1.00 0.00 C ATOM 880 O HIS A 61 2.234 4.180 4.262 1.00 0.00 O ATOM 881 CB HIS A 61 1.268 7.351 4.117 1.00 0.00 C ATOM 882 CG HIS A 61 1.408 6.795 2.726 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.317 5.796 2.418 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.758 7.087 1.552 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.192 5.525 1.106 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.255 6.285 0.531 1.00 0.00 N ATOM 0 H HIS A 61 3.873 5.719 4.563 1.00 0.00 H new ATOM 0 HA HIS A 61 1.640 6.628 6.145 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.214 7.481 4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.733 8.335 4.175 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.963 5.348 3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.021 7.827 1.439 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.777 4.784 0.582 1.00 0.00 H new ATOM 894 N GLN A 62 0.322 4.584 5.265 1.00 0.00 N ATOM 895 CA GLN A 62 -0.149 3.189 5.030 1.00 0.00 C ATOM 896 C GLN A 62 -1.099 3.148 3.830 1.00 0.00 C ATOM 897 O GLN A 62 -2.243 3.547 3.918 1.00 0.00 O ATOM 898 CB GLN A 62 -0.884 2.797 6.311 1.00 0.00 C ATOM 899 CG GLN A 62 0.065 2.025 7.229 1.00 0.00 C ATOM 900 CD GLN A 62 0.134 2.717 8.592 1.00 0.00 C ATOM 901 OE1 GLN A 62 1.128 3.327 8.926 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.891 2.647 9.397 1.00 0.00 N ATOM 0 H GLN A 62 -0.336 5.187 5.760 1.00 0.00 H new ATOM 0 HA GLN A 62 0.672 2.507 4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.253 3.688 6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.753 2.184 6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.282 0.999 7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.059 1.976 6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.726 2.134 9.116 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.857 3.105 10.308 1.00 0.00 H new ATOM 911 N ILE A 63 -0.634 2.668 2.709 1.00 0.00 N ATOM 912 CA ILE A 63 -1.510 2.602 1.505 1.00 0.00 C ATOM 913 C ILE A 63 -2.595 1.539 1.697 1.00 0.00 C ATOM 914 O ILE A 63 -2.444 0.619 2.476 1.00 0.00 O ATOM 915 CB ILE A 63 -0.577 2.216 0.358 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.437 3.339 0.127 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.394 1.998 -0.916 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.406 2.933 -0.984 1.00 0.00 C ATOM 0 H ILE A 63 0.315 2.319 2.575 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.022 3.545 1.314 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.051 1.296 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.080 4.259 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.986 3.542 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.727 1.723 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.117 1.199 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.921 2.917 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.128 3.733 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.932 2.024 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.850 2.752 -1.904 1.00 0.00 H new ATOM 930 N GLU A 64 -3.686 1.657 0.990 1.00 0.00 N ATOM 931 CA GLU A 64 -4.778 0.652 1.134 1.00 0.00 C ATOM 932 C GLU A 64 -4.965 -0.115 -0.179 1.00 0.00 C ATOM 933 O GLU A 64 -4.918 0.454 -1.252 1.00 0.00 O ATOM 934 CB GLU A 64 -6.028 1.468 1.461 1.00 0.00 C ATOM 935 CG GLU A 64 -5.937 1.987 2.898 1.00 0.00 C ATOM 936 CD GLU A 64 -7.159 1.514 3.690 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.350 0.313 3.784 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.881 2.362 4.188 1.00 0.00 O ATOM 0 H GLU A 64 -3.868 2.404 0.320 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.561 -0.086 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.122 2.303 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.919 0.852 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.023 1.626 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.888 3.076 2.900 1.00 0.00 H new ATOM 945 N PHE A 65 -5.177 -1.400 -0.103 1.00 0.00 N ATOM 946 CA PHE A 65 -5.365 -2.199 -1.348 1.00 0.00 C ATOM 947 C PHE A 65 -6.473 -1.584 -2.208 1.00 0.00 C ATOM 948 O PHE A 65 -6.342 -1.459 -3.409 1.00 0.00 O ATOM 949 CB PHE A 65 -5.771 -3.592 -0.868 1.00 0.00 C ATOM 950 CG PHE A 65 -5.838 -4.531 -2.048 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.732 -4.670 -2.896 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.006 -5.261 -2.296 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.794 -5.540 -3.991 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.069 -6.132 -3.392 1.00 0.00 C ATOM 955 CZ PHE A 65 -5.963 -6.271 -4.239 1.00 0.00 C ATOM 0 H PHE A 65 -5.228 -1.931 0.766 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.464 -2.226 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.051 -3.960 -0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.739 -3.549 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.831 -4.106 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.859 -5.153 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.941 -5.648 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.970 -6.696 -3.583 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.011 -6.942 -5.084 1.00 0.00 H new ATOM 965 N SER A 66 -7.563 -1.198 -1.601 1.00 0.00 N ATOM 966 CA SER A 66 -8.677 -0.591 -2.386 1.00 0.00 C ATOM 967 C SER A 66 -8.168 0.618 -3.175 1.00 0.00 C ATOM 968 O SER A 66 -8.078 0.587 -4.386 1.00 0.00 O ATOM 969 CB SER A 66 -9.704 -0.157 -1.342 1.00 0.00 C ATOM 970 OG SER A 66 -9.554 -0.953 -0.175 1.00 0.00 O ATOM 0 H SER A 66 -7.730 -1.276 -0.598 1.00 0.00 H new ATOM 0 HA SER A 66 -9.101 -1.287 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.568 0.896 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.713 -0.264 -1.741 1.00 0.00 H new ATOM 0 HG SER A 66 -10.211 -0.675 0.497 1.00 0.00 H new ATOM 976 N GLU A 67 -7.836 1.683 -2.499 1.00 0.00 N ATOM 977 CA GLU A 67 -7.332 2.893 -3.211 1.00 0.00 C ATOM 978 C GLU A 67 -6.165 2.517 -4.129 1.00 0.00 C ATOM 979 O GLU A 67 -6.103 2.927 -5.272 1.00 0.00 O ATOM 980 CB GLU A 67 -6.865 3.837 -2.101 1.00 0.00 C ATOM 981 CG GLU A 67 -5.949 4.911 -2.690 1.00 0.00 C ATOM 982 CD GLU A 67 -4.517 4.687 -2.200 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.351 3.988 -1.213 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.609 5.217 -2.819 1.00 0.00 O ATOM 0 H GLU A 67 -7.892 1.769 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.094 3.352 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.725 4.303 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.335 3.275 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.982 4.874 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.295 5.901 -2.394 1.00 0.00 H new ATOM 991 N PHE A 68 -5.241 1.740 -3.636 1.00 0.00 N ATOM 992 CA PHE A 68 -4.077 1.337 -4.478 1.00 0.00 C ATOM 993 C PHE A 68 -4.545 0.971 -5.890 1.00 0.00 C ATOM 994 O PHE A 68 -4.156 1.587 -6.862 1.00 0.00 O ATOM 995 CB PHE A 68 -3.486 0.117 -3.772 1.00 0.00 C ATOM 996 CG PHE A 68 -2.563 -0.621 -4.712 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.885 0.078 -5.720 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.386 -2.003 -4.579 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.030 -0.605 -6.591 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.531 -2.686 -5.452 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.854 -1.988 -6.458 1.00 0.00 C ATOM 0 H PHE A 68 -5.240 1.366 -2.687 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.347 2.139 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.940 0.430 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.286 -0.545 -3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.023 1.144 -5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.909 -2.542 -3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.506 -0.066 -7.366 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.394 -3.752 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.196 -2.516 -7.132 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.374 -0.030 -6.009 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.862 -0.437 -7.359 1.00 0.00 C ATOM 1013 C LEU A 69 -6.866 0.588 -7.893 1.00 0.00 C ATOM 1014 O LEU A 69 -6.910 0.870 -9.074 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.541 -1.789 -7.138 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.527 -2.914 -7.363 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.227 -2.591 -6.622 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.099 -4.228 -6.830 1.00 0.00 C ATOM 0 H LEU A 69 -5.734 -0.583 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.056 -0.498 -8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.943 -1.845 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.382 -1.901 -7.822 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.323 -3.008 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.507 -3.393 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.817 -1.654 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.430 -2.496 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.378 -5.030 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.303 -4.130 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.024 -4.462 -7.356 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.670 1.150 -7.033 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.669 2.156 -7.493 1.00 0.00 C ATOM 1032 C ALA A 70 -7.975 3.258 -8.300 1.00 0.00 C ATOM 1033 O ALA A 70 -8.563 3.867 -9.171 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.273 2.731 -6.212 1.00 0.00 C ATOM 0 H ALA A 70 -7.679 0.956 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.429 1.717 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.021 3.482 -6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.743 1.931 -5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.487 3.191 -5.613 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.727 3.516 -8.016 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.997 4.577 -8.768 1.00 0.00 C ATOM 1042 C LEU A 71 -5.048 3.945 -9.789 1.00 0.00 C ATOM 1043 O LEU A 71 -4.840 4.470 -10.865 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.207 5.342 -7.703 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.125 6.353 -7.016 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.391 5.646 -6.530 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.396 6.971 -5.821 1.00 0.00 C ATOM 0 H LEU A 71 -6.182 3.039 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.671 5.228 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.799 4.647 -6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.361 5.855 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.396 7.137 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.045 6.367 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.910 5.204 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.121 4.862 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.049 7.692 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.125 6.186 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.493 7.475 -6.166 1.00 0.00 H new ATOM 1059 N MET A 72 -4.470 2.821 -9.461 1.00 0.00 N ATOM 1060 CA MET A 72 -3.535 2.158 -10.414 1.00 0.00 C ATOM 1061 C MET A 72 -4.234 1.908 -11.754 1.00 0.00 C ATOM 1062 O MET A 72 -3.599 1.780 -12.782 1.00 0.00 O ATOM 1063 CB MET A 72 -3.163 0.833 -9.748 1.00 0.00 C ATOM 1064 CG MET A 72 -1.653 0.613 -9.855 1.00 0.00 C ATOM 1065 SD MET A 72 -1.170 0.586 -11.599 1.00 0.00 S ATOM 1066 CE MET A 72 -0.139 2.073 -11.572 1.00 0.00 C ATOM 0 H MET A 72 -4.605 2.334 -8.575 1.00 0.00 H new ATOM 0 HA MET A 72 -2.657 2.769 -10.623 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.466 0.842 -8.701 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.696 0.011 -10.227 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.121 1.407 -9.331 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.377 -0.326 -9.375 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.744 2.940 -11.837 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.275 2.211 -10.573 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.674 1.965 -12.290 1.00 0.00 H new ATOM 1076 N SER A 73 -5.536 1.837 -11.750 1.00 0.00 N ATOM 1077 CA SER A 73 -6.274 1.596 -13.023 1.00 0.00 C ATOM 1078 C SER A 73 -5.676 2.443 -14.149 1.00 0.00 C ATOM 1079 O SER A 73 -5.761 2.097 -15.312 1.00 0.00 O ATOM 1080 CB SER A 73 -7.712 2.023 -12.735 1.00 0.00 C ATOM 1081 OG SER A 73 -8.566 0.890 -12.825 1.00 0.00 O ATOM 0 H SER A 73 -6.122 1.935 -10.921 1.00 0.00 H new ATOM 0 HA SER A 73 -6.216 0.556 -13.344 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.780 2.466 -11.741 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.026 2.787 -13.446 1.00 0.00 H new ATOM 0 HG SER A 73 -9.489 1.161 -12.639 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.072 3.551 -13.815 1.00 0.00 N ATOM 1088 CA ARG A 74 -4.471 4.419 -14.867 1.00 0.00 C ATOM 1089 C ARG A 74 -3.395 3.649 -15.639 1.00 0.00 C ATOM 1090 O ARG A 74 -2.236 3.649 -15.273 1.00 0.00 O ATOM 1091 CB ARG A 74 -3.849 5.590 -14.105 1.00 0.00 C ATOM 1092 CG ARG A 74 -4.795 6.793 -14.156 1.00 0.00 C ATOM 1093 CD ARG A 74 -4.318 7.773 -15.229 1.00 0.00 C ATOM 1094 NE ARG A 74 -5.523 8.050 -16.058 1.00 0.00 N ATOM 1095 CZ ARG A 74 -5.989 9.266 -16.148 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -5.547 10.066 -17.079 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -6.896 9.681 -15.307 1.00 0.00 N ATOM 0 H ARG A 74 -4.969 3.892 -12.859 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.208 4.752 -15.598 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.661 5.305 -13.070 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.886 5.852 -14.543 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.810 6.462 -14.376 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.825 7.287 -13.185 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.927 8.687 -14.783 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.516 7.342 -15.829 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.985 7.289 -16.556 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.838 9.741 -17.736 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.911 11.016 -17.150 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.241 9.055 -14.579 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.260 10.631 -15.377 1.00 0.00 H new ATOM 1111 N GLN A 75 -3.770 2.991 -16.702 1.00 0.00 N ATOM 1112 CA GLN A 75 -2.768 2.222 -17.494 1.00 0.00 C ATOM 1113 C GLN A 75 -2.118 1.145 -16.623 1.00 0.00 C ATOM 1114 O GLN A 75 -1.935 1.321 -15.434 1.00 0.00 O ATOM 1115 CB GLN A 75 -1.732 3.257 -17.933 1.00 0.00 C ATOM 1116 CG GLN A 75 -0.880 2.677 -19.064 1.00 0.00 C ATOM 1117 CD GLN A 75 -1.316 3.288 -20.396 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -2.327 3.958 -20.469 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -0.590 3.085 -21.462 1.00 0.00 N ATOM 0 H GLN A 75 -4.726 2.953 -17.056 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.218 1.711 -18.345 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.230 4.167 -18.268 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.098 3.533 -17.090 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.174 2.887 -18.883 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.989 1.593 -19.096 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.259 2.523 -21.401 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.872 3.489 -22.355 1.00 0.00 H new ATOM 1128 N LEU A 76 -1.768 0.030 -17.204 1.00 0.00 N ATOM 1129 CA LEU A 76 -1.130 -1.057 -16.408 1.00 0.00 C ATOM 1130 C LEU A 76 -0.755 -2.230 -17.319 1.00 0.00 C ATOM 1131 O LEU A 76 -1.608 -2.917 -17.845 1.00 0.00 O ATOM 1132 CB LEU A 76 -2.193 -1.483 -15.395 1.00 0.00 C ATOM 1133 CG LEU A 76 -1.549 -2.347 -14.310 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -2.387 -2.275 -13.033 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -1.478 -3.798 -14.791 1.00 0.00 C ATOM 0 H LEU A 76 -1.896 -0.175 -18.195 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.212 -0.728 -15.921 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.656 -0.604 -14.947 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.985 -2.040 -15.896 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.543 -1.981 -14.104 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.927 -2.891 -12.261 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.439 -1.242 -12.690 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.393 -2.641 -13.237 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.019 -4.415 -14.019 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.484 -4.163 -14.997 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.880 -3.851 -15.701 1.00 0.00 H new ATOM 1147 N LYS A 77 0.514 -2.465 -17.508 1.00 0.00 N ATOM 1148 CA LYS A 77 0.942 -3.592 -18.384 1.00 0.00 C ATOM 1149 C LYS A 77 1.759 -4.607 -17.580 1.00 0.00 C ATOM 1150 O LYS A 77 2.975 -4.522 -17.619 1.00 0.00 O ATOM 1151 CB LYS A 77 1.805 -2.946 -19.468 1.00 0.00 C ATOM 1152 CG LYS A 77 0.918 -2.520 -20.640 1.00 0.00 C ATOM 1153 CD LYS A 77 1.026 -1.006 -20.837 1.00 0.00 C ATOM 1154 CE LYS A 77 -0.318 -0.458 -21.321 1.00 0.00 C ATOM 1155 NZ LYS A 77 -0.114 -0.160 -22.766 1.00 0.00 N ATOM 1156 OXT LYS A 77 1.154 -5.451 -16.939 1.00 0.00 O ATOM 0 H LYS A 77 1.274 -1.925 -17.093 1.00 0.00 H new ATOM 0 HA LYS A 77 0.094 -4.131 -18.806 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.330 -2.081 -19.062 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.565 -3.649 -19.810 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.224 -3.039 -21.549 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.118 -2.799 -20.447 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.311 -0.526 -19.901 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.807 -0.778 -21.563 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.116 -1.186 -21.177 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.601 0.438 -20.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.994 0.220 -23.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.647 0.541 -22.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.147 -1.033 -23.267 1.00 0.00 H new TER 1170 LYS A 77