USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 623 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 18 ASN : amide:sc= -1.12 X(o=-2.8,f=-2.6!) USER MOD Set 1.2: A 30 GLN : amide:sc= -1.68! C(o=-2.8!,f=-2.4!) USER MOD Single : A 14 ASN : amide:sc= -0.0161 K(o=-0.016,f=-0.99) USER MOD Single : A 16 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.81) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc=-0.00739 X(o=-0.0074,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.414 K(o=-0.41,f=-2.1) USER MOD Single : A 37 THR OG1 : rot 90:sc= -0.363 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 148:sc= -0.796 (180deg=-5.91!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0294 USER MOD Single : A 50 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.51) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.56) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -2.43 K(o=-2.4,f=-3.4!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.4) USER MOD Single : A 89 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.12) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -19.285 -1.782 4.584 1.00 0.00 N ATOM 2 CA ASN A 14 -19.475 -3.134 3.987 1.00 0.00 C ATOM 3 C ASN A 14 -18.465 -3.397 2.869 1.00 0.00 C ATOM 4 O ASN A 14 -17.978 -4.518 2.717 1.00 0.00 O ATOM 5 CB ASN A 14 -20.909 -3.236 3.449 1.00 0.00 C ATOM 6 CG ASN A 14 -21.375 -4.674 3.283 1.00 0.00 C ATOM 7 OD1 ASN A 14 -21.008 -5.553 4.063 1.00 0.00 O ATOM 8 ND2 ASN A 14 -22.192 -4.920 2.263 1.00 0.00 N ATOM 0 HA ASN A 14 -19.310 -3.889 4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -21.585 -2.716 4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -20.969 -2.726 2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -22.539 -5.866 2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -22.472 -4.163 1.640 1.00 0.00 H new ATOM 17 N ASP A 15 -18.152 -2.358 2.093 1.00 0.00 N ATOM 18 CA ASP A 15 -17.197 -2.477 0.992 1.00 0.00 C ATOM 19 C ASP A 15 -15.770 -2.218 1.476 1.00 0.00 C ATOM 20 O ASP A 15 -15.460 -1.129 1.964 1.00 0.00 O ATOM 21 CB ASP A 15 -17.551 -1.500 -0.136 1.00 0.00 C ATOM 22 CG ASP A 15 -17.725 -2.193 -1.475 1.00 0.00 C ATOM 23 OD1 ASP A 15 -16.817 -2.952 -1.873 1.00 0.00 O ATOM 24 OD2 ASP A 15 -18.770 -1.975 -2.125 1.00 0.00 O ATOM 0 H ASP A 15 -18.547 -1.424 2.207 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.254 -3.496 0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.471 -0.974 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.767 -0.748 -0.220 1.00 0.00 H new ATOM 29 N HIS A 16 -14.906 -3.223 1.331 1.00 0.00 N ATOM 30 CA HIS A 16 -13.509 -3.107 1.746 1.00 0.00 C ATOM 31 C HIS A 16 -12.585 -3.798 0.747 1.00 0.00 C ATOM 32 O HIS A 16 -12.747 -4.985 0.462 1.00 0.00 O ATOM 33 CB HIS A 16 -13.311 -3.712 3.139 1.00 0.00 C ATOM 34 CG HIS A 16 -13.229 -2.693 4.234 1.00 0.00 C ATOM 35 ND1 HIS A 16 -12.953 -3.021 5.544 1.00 0.00 N ATOM 36 CD2 HIS A 16 -13.384 -1.346 4.211 1.00 0.00 C ATOM 37 CE1 HIS A 16 -12.945 -1.924 6.279 1.00 0.00 C ATOM 38 NE2 HIS A 16 -13.203 -0.895 5.494 1.00 0.00 N ATOM 0 H HIS A 16 -15.150 -4.128 0.928 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.257 -2.047 1.779 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.136 -4.393 3.350 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.398 -4.307 3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.608 -0.741 3.345 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.759 -1.877 7.342 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.259 0.079 5.793 1.00 0.00 H new ATOM 47 N ILE A 17 -11.615 -3.050 0.221 1.00 0.00 N ATOM 48 CA ILE A 17 -10.669 -3.598 -0.749 1.00 0.00 C ATOM 49 C ILE A 17 -9.564 -4.395 -0.055 1.00 0.00 C ATOM 50 O ILE A 17 -8.903 -3.899 0.857 1.00 0.00 O ATOM 51 CB ILE A 17 -10.042 -2.498 -1.637 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.248 -1.491 -0.795 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.127 -1.787 -2.434 1.00 0.00 C ATOM 54 CD1 ILE A 17 -8.740 -0.305 -1.589 1.00 0.00 C ATOM 0 H ILE A 17 -11.465 -2.067 0.449 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.239 -4.268 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.348 -2.974 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.880 -1.131 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.401 -2.001 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -10.675 -1.014 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.643 -2.507 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.841 -1.329 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.188 0.365 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.082 -0.655 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.584 0.229 -2.025 1.00 0.00 H new ATOM 66 N ASN A 18 -9.383 -5.640 -0.494 1.00 0.00 N ATOM 67 CA ASN A 18 -8.375 -6.530 0.080 1.00 0.00 C ATOM 68 C ASN A 18 -7.052 -6.447 -0.685 1.00 0.00 C ATOM 69 O ASN A 18 -6.851 -7.155 -1.674 1.00 0.00 O ATOM 70 CB ASN A 18 -8.890 -7.974 0.068 1.00 0.00 C ATOM 71 CG ASN A 18 -9.896 -8.246 1.172 1.00 0.00 C ATOM 72 OD1 ASN A 18 -9.630 -9.019 2.091 1.00 0.00 O ATOM 73 ND2 ASN A 18 -11.063 -7.614 1.085 1.00 0.00 N ATOM 0 H ASN A 18 -9.925 -6.057 -1.250 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.192 -6.212 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.351 -8.183 -0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.047 -8.657 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.778 -7.762 1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.243 -6.981 0.306 1.00 0.00 H new ATOM 80 N LEU A 19 -6.146 -5.587 -0.216 1.00 0.00 N ATOM 81 CA LEU A 19 -4.839 -5.426 -0.855 1.00 0.00 C ATOM 82 C LEU A 19 -3.770 -6.240 -0.128 1.00 0.00 C ATOM 83 O LEU A 19 -3.536 -6.050 1.067 1.00 0.00 O ATOM 84 CB LEU A 19 -4.430 -3.950 -0.887 1.00 0.00 C ATOM 85 CG LEU A 19 -4.880 -3.178 -2.129 1.00 0.00 C ATOM 86 CD1 LEU A 19 -6.095 -2.320 -1.813 1.00 0.00 C ATOM 87 CD2 LEU A 19 -3.741 -2.321 -2.665 1.00 0.00 C ATOM 0 H LEU A 19 -6.292 -4.994 0.601 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.924 -5.794 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.838 -3.457 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.344 -3.888 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.160 -3.896 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.401 -1.778 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.913 -2.957 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.843 -1.608 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.078 -1.779 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.429 -1.610 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.899 -2.960 -2.931 1.00 0.00 H new ATOM 99 N LYS A 20 -3.118 -7.141 -0.864 1.00 0.00 N ATOM 100 CA LYS A 20 -2.064 -7.984 -0.302 1.00 0.00 C ATOM 101 C LYS A 20 -0.726 -7.250 -0.315 1.00 0.00 C ATOM 102 O LYS A 20 -0.090 -7.126 -1.363 1.00 0.00 O ATOM 103 CB LYS A 20 -1.944 -9.287 -1.099 1.00 0.00 C ATOM 104 CG LYS A 20 -2.754 -10.439 -0.525 1.00 0.00 C ATOM 105 CD LYS A 20 -4.000 -10.709 -1.353 1.00 0.00 C ATOM 106 CE LYS A 20 -5.051 -11.458 -0.551 1.00 0.00 C ATOM 107 NZ LYS A 20 -4.764 -12.919 -0.484 1.00 0.00 N ATOM 0 H LYS A 20 -3.303 -7.305 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.328 -8.218 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.266 -9.105 -2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.895 -9.580 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.137 -11.337 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.040 -10.208 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.415 -9.765 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.733 -11.290 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.095 -11.050 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.031 -11.301 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.504 -13.393 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.747 -13.314 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.840 -13.071 -0.031 1.00 0.00 H new ATOM 121 N VAL A 21 -0.302 -6.761 0.849 1.00 0.00 N ATOM 122 CA VAL A 21 0.962 -6.037 0.955 1.00 0.00 C ATOM 123 C VAL A 21 2.123 -6.990 1.230 1.00 0.00 C ATOM 124 O VAL A 21 2.226 -7.561 2.318 1.00 0.00 O ATOM 125 CB VAL A 21 0.920 -4.963 2.064 1.00 0.00 C ATOM 126 CG1 VAL A 21 2.154 -4.072 1.992 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.349 -4.129 1.961 1.00 0.00 C ATOM 0 H VAL A 21 -0.813 -6.852 1.727 1.00 0.00 H new ATOM 0 HA VAL A 21 1.116 -5.544 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 21 0.916 -5.470 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.107 -3.321 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.050 -4.680 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.189 -3.577 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.357 -3.379 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.381 -3.633 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.219 -4.777 2.066 1.00 0.00 H new ATOM 137 N ALA A 22 2.996 -7.152 0.236 1.00 0.00 N ATOM 138 CA ALA A 22 4.156 -8.028 0.362 1.00 0.00 C ATOM 139 C ALA A 22 5.456 -7.229 0.265 1.00 0.00 C ATOM 140 O ALA A 22 5.787 -6.695 -0.794 1.00 0.00 O ATOM 141 CB ALA A 22 4.118 -9.113 -0.707 1.00 0.00 C ATOM 0 H ALA A 22 2.920 -6.685 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 22 4.121 -8.501 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.989 -9.759 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.211 -9.706 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.127 -8.651 -1.694 1.00 0.00 H new ATOM 147 N GLY A 23 6.185 -7.146 1.378 1.00 0.00 N ATOM 148 CA GLY A 23 7.438 -6.407 1.397 1.00 0.00 C ATOM 149 C GLY A 23 8.621 -7.256 0.968 1.00 0.00 C ATOM 150 O GLY A 23 8.630 -8.469 1.184 1.00 0.00 O ATOM 0 H GLY A 23 5.930 -7.577 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.357 -5.543 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.615 -6.024 2.402 1.00 0.00 H new ATOM 154 N GLN A 24 9.624 -6.616 0.361 1.00 0.00 N ATOM 155 CA GLN A 24 10.826 -7.317 -0.102 1.00 0.00 C ATOM 156 C GLN A 24 11.495 -8.106 1.028 1.00 0.00 C ATOM 157 O GLN A 24 12.092 -9.157 0.789 1.00 0.00 O ATOM 158 CB GLN A 24 11.826 -6.332 -0.720 1.00 0.00 C ATOM 159 CG GLN A 24 12.186 -5.152 0.175 1.00 0.00 C ATOM 160 CD GLN A 24 13.517 -4.529 -0.201 1.00 0.00 C ATOM 161 OE1 GLN A 24 14.377 -4.308 0.652 1.00 0.00 O ATOM 162 NE2 GLN A 24 13.695 -4.242 -1.487 1.00 0.00 N ATOM 0 H GLN A 24 9.628 -5.613 0.178 1.00 0.00 H new ATOM 0 HA GLN A 24 10.510 -8.028 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.739 -6.871 -0.973 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.412 -5.951 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.403 -4.397 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.223 -5.484 1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.956 -4.442 -2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.571 -3.822 -1.799 1.00 0.00 H new ATOM 171 N ASP A 25 11.390 -7.597 2.255 1.00 0.00 N ATOM 172 CA ASP A 25 11.979 -8.258 3.421 1.00 0.00 C ATOM 173 C ASP A 25 11.327 -9.623 3.680 1.00 0.00 C ATOM 174 O ASP A 25 11.961 -10.528 4.227 1.00 0.00 O ATOM 175 CB ASP A 25 11.836 -7.368 4.661 1.00 0.00 C ATOM 176 CG ASP A 25 10.442 -6.785 4.806 1.00 0.00 C ATOM 177 OD1 ASP A 25 9.530 -7.522 5.235 1.00 0.00 O ATOM 178 OD2 ASP A 25 10.261 -5.591 4.483 1.00 0.00 O ATOM 0 H ASP A 25 10.902 -6.727 2.468 1.00 0.00 H new ATOM 0 HA ASP A 25 13.036 -8.422 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.076 -7.950 5.551 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.561 -6.556 4.606 1.00 0.00 H new ATOM 183 N GLY A 26 10.060 -9.761 3.282 1.00 0.00 N ATOM 184 CA GLY A 26 9.343 -11.011 3.477 1.00 0.00 C ATOM 185 C GLY A 26 8.186 -10.875 4.453 1.00 0.00 C ATOM 186 O GLY A 26 8.039 -11.690 5.365 1.00 0.00 O ATOM 0 H GLY A 26 9.518 -9.026 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.964 -11.362 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.035 -11.769 3.843 1.00 0.00 H new ATOM 190 N SER A 27 7.361 -9.845 4.257 1.00 0.00 N ATOM 191 CA SER A 27 6.207 -9.602 5.123 1.00 0.00 C ATOM 192 C SER A 27 4.921 -9.498 4.305 1.00 0.00 C ATOM 193 O SER A 27 4.745 -8.556 3.530 1.00 0.00 O ATOM 194 CB SER A 27 6.408 -8.319 5.937 1.00 0.00 C ATOM 195 OG SER A 27 6.990 -8.601 7.198 1.00 0.00 O ATOM 0 H SER A 27 7.471 -9.165 3.505 1.00 0.00 H new ATOM 0 HA SER A 27 6.118 -10.448 5.805 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.047 -7.630 5.384 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.449 -7.821 6.079 1.00 0.00 H new ATOM 0 HG SER A 27 7.109 -7.766 7.697 1.00 0.00 H new ATOM 201 N VAL A 28 4.023 -10.469 4.485 1.00 0.00 N ATOM 202 CA VAL A 28 2.749 -10.482 3.764 1.00 0.00 C ATOM 203 C VAL A 28 1.575 -10.251 4.712 1.00 0.00 C ATOM 204 O VAL A 28 1.419 -10.960 5.708 1.00 0.00 O ATOM 205 CB VAL A 28 2.530 -11.807 3.000 1.00 0.00 C ATOM 206 CG1 VAL A 28 3.408 -11.859 1.758 1.00 0.00 C ATOM 207 CG2 VAL A 28 2.794 -13.006 3.900 1.00 0.00 C ATOM 0 H VAL A 28 4.154 -11.255 5.122 1.00 0.00 H new ATOM 0 HA VAL A 28 2.796 -9.668 3.041 1.00 0.00 H new ATOM 0 HB VAL A 28 1.487 -11.849 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.240 -12.799 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.158 -11.026 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.456 -11.789 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.633 -13.926 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.824 -12.974 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.115 -12.978 4.752 1.00 0.00 H new ATOM 217 N VAL A 29 0.752 -9.251 4.394 1.00 0.00 N ATOM 218 CA VAL A 29 -0.410 -8.920 5.217 1.00 0.00 C ATOM 219 C VAL A 29 -1.651 -8.670 4.359 1.00 0.00 C ATOM 220 O VAL A 29 -1.559 -8.540 3.136 1.00 0.00 O ATOM 221 CB VAL A 29 -0.149 -7.679 6.097 1.00 0.00 C ATOM 222 CG1 VAL A 29 0.857 -7.998 7.193 1.00 0.00 C ATOM 223 CG2 VAL A 29 0.325 -6.505 5.252 1.00 0.00 C ATOM 0 H VAL A 29 0.869 -8.657 3.573 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.587 -9.781 5.861 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.089 -7.395 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.026 -7.110 7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.469 -8.799 7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.798 -8.314 6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.502 -5.642 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.250 -6.774 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.437 -6.257 4.514 1.00 0.00 H new ATOM 233 N GLN A 30 -2.812 -8.602 5.014 1.00 0.00 N ATOM 234 CA GLN A 30 -4.077 -8.366 4.323 1.00 0.00 C ATOM 235 C GLN A 30 -4.779 -7.123 4.872 1.00 0.00 C ATOM 236 O GLN A 30 -5.491 -7.193 5.876 1.00 0.00 O ATOM 237 CB GLN A 30 -4.991 -9.587 4.465 1.00 0.00 C ATOM 238 CG GLN A 30 -4.878 -10.574 3.313 1.00 0.00 C ATOM 239 CD GLN A 30 -6.212 -10.843 2.641 1.00 0.00 C ATOM 240 OE1 GLN A 30 -6.992 -9.924 2.397 1.00 0.00 O ATOM 241 NE2 GLN A 30 -6.480 -12.109 2.336 1.00 0.00 N ATOM 0 H GLN A 30 -2.900 -8.708 6.025 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.861 -8.199 3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.754 -10.101 5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.024 -9.249 4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.175 -10.186 2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.466 -11.513 3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.804 -12.841 2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.361 -12.349 1.882 1.00 0.00 H new ATOM 250 N PHE A 31 -4.574 -5.988 4.205 1.00 0.00 N ATOM 251 CA PHE A 31 -5.187 -4.728 4.622 1.00 0.00 C ATOM 252 C PHE A 31 -6.516 -4.501 3.903 1.00 0.00 C ATOM 253 O PHE A 31 -6.630 -4.742 2.699 1.00 0.00 O ATOM 254 CB PHE A 31 -4.237 -3.557 4.346 1.00 0.00 C ATOM 255 CG PHE A 31 -3.363 -3.202 5.517 1.00 0.00 C ATOM 256 CD1 PHE A 31 -3.824 -2.352 6.511 1.00 0.00 C ATOM 257 CD2 PHE A 31 -2.080 -3.715 5.623 1.00 0.00 C ATOM 258 CE1 PHE A 31 -3.022 -2.022 7.587 1.00 0.00 C ATOM 259 CE2 PHE A 31 -1.273 -3.388 6.697 1.00 0.00 C ATOM 260 CZ PHE A 31 -1.745 -2.540 7.680 1.00 0.00 C ATOM 0 H PHE A 31 -3.988 -5.915 3.373 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.381 -4.786 5.693 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.605 -3.806 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.824 -2.683 4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.821 -1.943 6.443 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.706 -4.378 4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.394 -1.359 8.355 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.275 -3.795 6.767 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.117 -2.283 8.520 1.00 0.00 H new ATOM 270 N LYS A 32 -7.518 -4.035 4.650 1.00 0.00 N ATOM 271 CA LYS A 32 -8.841 -3.774 4.089 1.00 0.00 C ATOM 272 C LYS A 32 -9.297 -2.350 4.402 1.00 0.00 C ATOM 273 O LYS A 32 -9.562 -2.015 5.558 1.00 0.00 O ATOM 274 CB LYS A 32 -9.856 -4.783 4.635 1.00 0.00 C ATOM 275 CG LYS A 32 -9.999 -6.029 3.774 1.00 0.00 C ATOM 276 CD LYS A 32 -10.570 -7.197 4.566 1.00 0.00 C ATOM 277 CE LYS A 32 -12.033 -6.975 4.919 1.00 0.00 C ATOM 278 NZ LYS A 32 -12.687 -8.225 5.401 1.00 0.00 N ATOM 0 H LYS A 32 -7.437 -3.831 5.646 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.778 -3.883 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.557 -5.079 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.828 -4.298 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.648 -5.813 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.026 -6.305 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.471 -8.114 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.992 -7.335 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.108 -6.207 5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.565 -6.602 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.682 -8.030 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.639 -8.951 4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.196 -8.568 6.252 1.00 0.00 H new ATOM 292 N ILE A 33 -9.385 -1.517 3.363 1.00 0.00 N ATOM 293 CA ILE A 33 -9.810 -0.126 3.525 1.00 0.00 C ATOM 294 C ILE A 33 -10.874 0.256 2.496 1.00 0.00 C ATOM 295 O ILE A 33 -11.254 -0.556 1.651 1.00 0.00 O ATOM 296 CB ILE A 33 -8.618 0.850 3.399 1.00 0.00 C ATOM 297 CG1 ILE A 33 -7.925 0.687 2.042 1.00 0.00 C ATOM 298 CG2 ILE A 33 -7.631 0.633 4.537 1.00 0.00 C ATOM 299 CD1 ILE A 33 -7.499 2.000 1.416 1.00 0.00 C ATOM 0 H ILE A 33 -9.168 -1.781 2.402 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.233 -0.046 4.526 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.999 1.869 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.048 0.052 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.599 0.170 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.798 1.328 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.131 0.805 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.256 -0.390 4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.016 1.807 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.375 2.630 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.799 2.509 2.079 1.00 0.00 H new ATOM 311 N LYS A 34 -11.347 1.501 2.573 1.00 0.00 N ATOM 312 CA LYS A 34 -12.365 1.998 1.647 1.00 0.00 C ATOM 313 C LYS A 34 -11.756 2.308 0.280 1.00 0.00 C ATOM 314 O LYS A 34 -10.560 2.583 0.172 1.00 0.00 O ATOM 315 CB LYS A 34 -13.044 3.254 2.210 1.00 0.00 C ATOM 316 CG LYS A 34 -12.071 4.326 2.684 1.00 0.00 C ATOM 317 CD LYS A 34 -12.606 5.725 2.416 1.00 0.00 C ATOM 318 CE LYS A 34 -12.127 6.720 3.464 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.138 6.927 4.540 1.00 0.00 N ATOM 0 H LYS A 34 -11.041 2.183 3.267 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.114 1.215 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.691 3.679 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.685 2.965 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.886 4.205 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.114 4.199 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.285 6.054 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.696 5.703 2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.196 6.363 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.907 7.674 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.773 7.611 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.018 7.292 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.329 6.022 5.015 1.00 0.00 H new ATOM 333 N ARG A 35 -12.589 2.272 -0.760 1.00 0.00 N ATOM 334 CA ARG A 35 -12.131 2.557 -2.122 1.00 0.00 C ATOM 335 C ARG A 35 -12.368 4.025 -2.497 1.00 0.00 C ATOM 336 O ARG A 35 -12.575 4.348 -3.669 1.00 0.00 O ATOM 337 CB ARG A 35 -12.831 1.636 -3.131 1.00 0.00 C ATOM 338 CG ARG A 35 -14.350 1.638 -3.027 1.00 0.00 C ATOM 339 CD ARG A 35 -15.000 1.554 -4.400 1.00 0.00 C ATOM 340 NE ARG A 35 -16.041 0.527 -4.456 1.00 0.00 N ATOM 341 CZ ARG A 35 -15.795 -0.786 -4.495 1.00 0.00 C ATOM 342 NH1 ARG A 35 -14.543 -1.239 -4.473 1.00 0.00 N ATOM 343 NH2 ARG A 35 -16.805 -1.647 -4.553 1.00 0.00 N ATOM 0 H ARG A 35 -13.582 2.049 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.058 2.368 -2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.546 1.937 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.469 0.618 -2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.676 0.796 -2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.680 2.545 -2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.432 2.522 -4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.238 1.338 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.014 0.832 -4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.764 -0.582 -4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.363 -2.243 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.766 -1.306 -4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.619 -2.650 -4.583 1.00 0.00 H new ATOM 357 N HIS A 36 -12.327 4.912 -1.499 1.00 0.00 N ATOM 358 CA HIS A 36 -12.530 6.341 -1.727 1.00 0.00 C ATOM 359 C HIS A 36 -11.505 7.169 -0.942 1.00 0.00 C ATOM 360 O HIS A 36 -11.815 8.259 -0.457 1.00 0.00 O ATOM 361 CB HIS A 36 -13.953 6.754 -1.322 1.00 0.00 C ATOM 362 CG HIS A 36 -15.033 6.210 -2.213 1.00 0.00 C ATOM 363 ND1 HIS A 36 -14.840 5.908 -3.545 1.00 0.00 N ATOM 364 CD2 HIS A 36 -16.331 5.924 -1.952 1.00 0.00 C ATOM 365 CE1 HIS A 36 -15.971 5.464 -4.064 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.891 5.462 -3.118 1.00 0.00 N ATOM 0 H HIS A 36 -12.155 4.663 -0.525 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.394 6.534 -2.791 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.139 6.420 -0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.015 7.842 -1.318 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -16.833 6.038 -1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -16.118 5.155 -5.088 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -17.860 5.166 -3.234 1.00 0.00 H new ATOM 375 N THR A 37 -10.284 6.647 -0.821 1.00 0.00 N ATOM 376 CA THR A 37 -9.220 7.340 -0.099 1.00 0.00 C ATOM 377 C THR A 37 -7.861 7.068 -0.745 1.00 0.00 C ATOM 378 O THR A 37 -7.573 5.937 -1.136 1.00 0.00 O ATOM 379 CB THR A 37 -9.208 6.910 1.377 1.00 0.00 C ATOM 380 OG1 THR A 37 -8.268 7.670 2.115 1.00 0.00 O ATOM 381 CG2 THR A 37 -8.875 5.445 1.586 1.00 0.00 C ATOM 0 H THR A 37 -10.009 5.747 -1.214 1.00 0.00 H new ATOM 0 HA THR A 37 -9.413 8.412 -0.149 1.00 0.00 H new ATOM 0 HB THR A 37 -10.226 7.084 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.704 8.472 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.886 5.218 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.614 4.827 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.885 5.235 1.181 1.00 0.00 H new ATOM 389 N PRO A 38 -7.005 8.104 -0.866 1.00 0.00 N ATOM 390 CA PRO A 38 -5.671 7.966 -1.470 1.00 0.00 C ATOM 391 C PRO A 38 -4.857 6.836 -0.842 1.00 0.00 C ATOM 392 O PRO A 38 -5.103 6.442 0.300 1.00 0.00 O ATOM 393 CB PRO A 38 -5.009 9.320 -1.192 1.00 0.00 C ATOM 394 CG PRO A 38 -6.142 10.274 -1.040 1.00 0.00 C ATOM 395 CD PRO A 38 -7.268 9.488 -0.425 1.00 0.00 C ATOM 0 HA PRO A 38 -5.732 7.715 -2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.399 9.284 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.351 9.614 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.861 11.115 -0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.436 10.687 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.267 9.570 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.239 9.841 -0.771 1.00 0.00 H new ATOM 403 N LEU A 39 -3.884 6.320 -1.597 1.00 0.00 N ATOM 404 CA LEU A 39 -3.028 5.231 -1.119 1.00 0.00 C ATOM 405 C LEU A 39 -2.366 5.569 0.222 1.00 0.00 C ATOM 406 O LEU A 39 -1.971 4.669 0.963 1.00 0.00 O ATOM 407 CB LEU A 39 -1.955 4.896 -2.161 1.00 0.00 C ATOM 408 CG LEU A 39 -2.389 3.899 -3.241 1.00 0.00 C ATOM 409 CD1 LEU A 39 -1.216 3.550 -4.145 1.00 0.00 C ATOM 410 CD2 LEU A 39 -2.969 2.642 -2.606 1.00 0.00 C ATOM 0 H LEU A 39 -3.669 6.639 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.667 4.361 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.640 5.820 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.083 4.494 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.165 4.365 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.542 2.841 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.846 4.455 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.419 3.103 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.272 1.946 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.215 2.173 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.836 2.907 -2.001 1.00 0.00 H new ATOM 422 N SER A 40 -2.251 6.865 0.532 1.00 0.00 N ATOM 423 CA SER A 40 -1.644 7.306 1.789 1.00 0.00 C ATOM 424 C SER A 40 -2.294 6.609 2.985 1.00 0.00 C ATOM 425 O SER A 40 -1.617 6.272 3.958 1.00 0.00 O ATOM 426 CB SER A 40 -1.774 8.824 1.938 1.00 0.00 C ATOM 427 OG SER A 40 -1.338 9.254 3.217 1.00 0.00 O ATOM 0 H SER A 40 -2.570 7.624 -0.070 1.00 0.00 H new ATOM 0 HA SER A 40 -0.588 7.038 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.186 9.319 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.812 9.119 1.787 1.00 0.00 H new ATOM 0 HG SER A 40 -1.431 10.227 3.284 1.00 0.00 H new ATOM 433 N LYS A 41 -3.609 6.391 2.904 1.00 0.00 N ATOM 434 CA LYS A 41 -4.344 5.728 3.979 1.00 0.00 C ATOM 435 C LYS A 41 -3.750 4.350 4.268 1.00 0.00 C ATOM 436 O LYS A 41 -3.393 4.047 5.408 1.00 0.00 O ATOM 437 CB LYS A 41 -5.829 5.599 3.617 1.00 0.00 C ATOM 438 CG LYS A 41 -6.766 6.068 4.720 1.00 0.00 C ATOM 439 CD LYS A 41 -6.790 7.586 4.834 1.00 0.00 C ATOM 440 CE LYS A 41 -6.684 8.038 6.283 1.00 0.00 C ATOM 441 NZ LYS A 41 -6.837 9.514 6.426 1.00 0.00 N ATOM 0 H LYS A 41 -4.184 6.664 2.107 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.256 6.339 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.026 6.177 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.049 4.557 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.773 5.702 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.453 5.637 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.966 8.008 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.712 7.970 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.449 7.536 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.718 7.734 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.758 9.776 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.091 9.995 5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.769 9.803 6.065 1.00 0.00 H new ATOM 455 N LEU A 42 -3.630 3.528 3.226 1.00 0.00 N ATOM 456 CA LEU A 42 -3.063 2.189 3.366 1.00 0.00 C ATOM 457 C LEU A 42 -1.577 2.263 3.720 1.00 0.00 C ATOM 458 O LEU A 42 -1.095 1.501 4.560 1.00 0.00 O ATOM 459 CB LEU A 42 -3.257 1.387 2.074 1.00 0.00 C ATOM 460 CG LEU A 42 -2.894 -0.098 2.171 1.00 0.00 C ATOM 461 CD1 LEU A 42 -3.802 -0.933 1.280 1.00 0.00 C ATOM 462 CD2 LEU A 42 -1.434 -0.313 1.801 1.00 0.00 C ATOM 0 H LEU A 42 -3.918 3.766 2.277 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.587 1.682 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.299 1.471 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.654 1.842 1.288 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.040 -0.421 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.527 -1.984 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.838 -0.803 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.692 -0.611 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.192 -1.373 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.264 0.028 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.799 0.252 2.483 1.00 0.00 H new ATOM 474 N MET A 43 -0.858 3.185 3.076 1.00 0.00 N ATOM 475 CA MET A 43 0.571 3.360 3.322 1.00 0.00 C ATOM 476 C MET A 43 0.847 3.620 4.800 1.00 0.00 C ATOM 477 O MET A 43 1.588 2.873 5.439 1.00 0.00 O ATOM 478 CB MET A 43 1.119 4.517 2.483 1.00 0.00 C ATOM 479 CG MET A 43 2.523 4.275 1.958 1.00 0.00 C ATOM 480 SD MET A 43 2.591 2.955 0.734 1.00 0.00 S ATOM 481 CE MET A 43 3.884 3.560 -0.347 1.00 0.00 C ATOM 0 H MET A 43 -1.245 3.822 2.379 1.00 0.00 H new ATOM 0 HA MET A 43 1.074 2.437 3.034 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.450 4.692 1.640 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.117 5.425 3.086 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.904 5.195 1.515 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.180 4.026 2.791 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.431 2.716 -0.767 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.440 4.143 -1.154 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.569 4.189 0.221 1.00 0.00 H new ATOM 491 N LYS A 44 0.241 4.679 5.337 1.00 0.00 N ATOM 492 CA LYS A 44 0.419 5.032 6.742 1.00 0.00 C ATOM 493 C LYS A 44 0.029 3.867 7.648 1.00 0.00 C ATOM 494 O LYS A 44 0.722 3.571 8.621 1.00 0.00 O ATOM 495 CB LYS A 44 -0.407 6.273 7.091 1.00 0.00 C ATOM 496 CG LYS A 44 0.098 7.545 6.426 1.00 0.00 C ATOM 497 CD LYS A 44 -0.866 8.706 6.619 1.00 0.00 C ATOM 498 CE LYS A 44 -0.351 9.689 7.660 1.00 0.00 C ATOM 499 NZ LYS A 44 -0.970 9.464 8.997 1.00 0.00 N ATOM 0 H LYS A 44 -0.376 5.305 4.820 1.00 0.00 H new ATOM 0 HA LYS A 44 1.473 5.256 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.443 6.105 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.402 6.411 8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.072 7.809 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.242 7.365 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.011 9.222 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.840 8.325 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.732 9.596 7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.559 10.707 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.591 10.155 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.001 9.578 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.750 8.501 9.324 1.00 0.00 H new ATOM 513 N ALA A 45 -1.079 3.202 7.314 1.00 0.00 N ATOM 514 CA ALA A 45 -1.555 2.060 8.093 1.00 0.00 C ATOM 515 C ALA A 45 -0.531 0.923 8.096 1.00 0.00 C ATOM 516 O ALA A 45 -0.385 0.215 9.092 1.00 0.00 O ATOM 517 CB ALA A 45 -2.889 1.564 7.550 1.00 0.00 C ATOM 0 H ALA A 45 -1.662 3.435 6.510 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.693 2.393 9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.229 0.714 8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.626 2.365 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.768 1.258 6.511 1.00 0.00 H new ATOM 523 N TYR A 46 0.172 0.750 6.975 1.00 0.00 N ATOM 524 CA TYR A 46 1.176 -0.306 6.854 1.00 0.00 C ATOM 525 C TYR A 46 2.471 0.063 7.578 1.00 0.00 C ATOM 526 O TYR A 46 2.974 -0.714 8.390 1.00 0.00 O ATOM 527 CB TYR A 46 1.470 -0.606 5.380 1.00 0.00 C ATOM 528 CG TYR A 46 2.474 -1.723 5.180 1.00 0.00 C ATOM 529 CD1 TYR A 46 2.079 -3.055 5.232 1.00 0.00 C ATOM 530 CD2 TYR A 46 3.816 -1.446 4.947 1.00 0.00 C ATOM 531 CE1 TYR A 46 2.992 -4.078 5.056 1.00 0.00 C ATOM 532 CE2 TYR A 46 4.734 -2.464 4.769 1.00 0.00 C ATOM 533 CZ TYR A 46 4.317 -3.777 4.825 1.00 0.00 C ATOM 534 OH TYR A 46 5.229 -4.793 4.651 1.00 0.00 O ATOM 0 H TYR A 46 0.064 1.327 6.141 1.00 0.00 H new ATOM 0 HA TYR A 46 0.766 -1.199 7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.539 -0.871 4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.844 0.299 4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.042 -3.295 5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.147 -0.419 4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.669 -5.108 5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.773 -2.232 4.587 1.00 0.00 H new ATOM 0 HH TYR A 46 6.118 -4.411 4.497 1.00 0.00 H new ATOM 544 N SER A 47 3.013 1.245 7.280 1.00 0.00 N ATOM 545 CA SER A 47 4.256 1.701 7.907 1.00 0.00 C ATOM 546 C SER A 47 4.100 1.817 9.423 1.00 0.00 C ATOM 547 O SER A 47 5.014 1.475 10.175 1.00 0.00 O ATOM 548 CB SER A 47 4.697 3.048 7.322 1.00 0.00 C ATOM 549 OG SER A 47 3.583 3.872 7.018 1.00 0.00 O ATOM 0 H SER A 47 2.613 1.902 6.611 1.00 0.00 H new ATOM 0 HA SER A 47 5.024 0.956 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.346 3.560 8.033 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.283 2.879 6.419 1.00 0.00 H new ATOM 0 HG SER A 47 3.897 4.724 6.648 1.00 0.00 H new ATOM 555 N GLU A 48 2.938 2.297 9.862 1.00 0.00 N ATOM 556 CA GLU A 48 2.659 2.454 11.287 1.00 0.00 C ATOM 557 C GLU A 48 2.519 1.094 11.972 1.00 0.00 C ATOM 558 O GLU A 48 3.010 0.898 13.085 1.00 0.00 O ATOM 559 CB GLU A 48 1.384 3.278 11.489 1.00 0.00 C ATOM 560 CG GLU A 48 1.224 3.826 12.899 1.00 0.00 C ATOM 561 CD GLU A 48 -0.230 4.019 13.287 1.00 0.00 C ATOM 562 OE1 GLU A 48 -0.859 4.971 12.779 1.00 0.00 O ATOM 563 OE2 GLU A 48 -0.738 3.218 14.100 1.00 0.00 O ATOM 0 H GLU A 48 2.174 2.584 9.250 1.00 0.00 H new ATOM 0 HA GLU A 48 3.499 2.980 11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.384 4.109 10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.520 2.658 11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.698 3.145 13.606 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.747 4.779 12.976 1.00 0.00 H new ATOM 570 N ARG A 49 1.849 0.156 11.300 1.00 0.00 N ATOM 571 CA ARG A 49 1.647 -1.186 11.846 1.00 0.00 C ATOM 572 C ARG A 49 2.944 -1.997 11.821 1.00 0.00 C ATOM 573 O ARG A 49 3.243 -2.727 12.767 1.00 0.00 O ATOM 574 CB ARG A 49 0.560 -1.927 11.059 1.00 0.00 C ATOM 575 CG ARG A 49 -0.855 -1.617 11.527 1.00 0.00 C ATOM 576 CD ARG A 49 -1.799 -2.784 11.271 1.00 0.00 C ATOM 577 NE ARG A 49 -1.785 -3.754 12.367 1.00 0.00 N ATOM 578 CZ ARG A 49 -2.730 -4.678 12.559 1.00 0.00 C ATOM 579 NH1 ARG A 49 -3.763 -4.770 11.727 1.00 0.00 N ATOM 580 NH2 ARG A 49 -2.640 -5.514 13.587 1.00 0.00 N ATOM 0 H ARG A 49 1.438 0.301 10.378 1.00 0.00 H new ATOM 0 HA ARG A 49 1.329 -1.076 12.883 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.649 -1.669 10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.733 -3.000 11.140 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.844 -1.384 12.592 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.223 -0.730 11.011 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.812 -2.407 11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.516 -3.282 10.343 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.006 -3.722 13.024 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.838 -4.132 10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.480 -5.479 11.881 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.850 -5.450 14.229 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.361 -6.220 13.735 1.00 0.00 H new ATOM 594 N GLN A 50 3.705 -1.872 10.734 1.00 0.00 N ATOM 595 CA GLN A 50 4.964 -2.603 10.588 1.00 0.00 C ATOM 596 C GLN A 50 6.057 -2.014 11.479 1.00 0.00 C ATOM 597 O GLN A 50 6.519 -2.665 12.416 1.00 0.00 O ATOM 598 CB GLN A 50 5.422 -2.596 9.124 1.00 0.00 C ATOM 599 CG GLN A 50 5.891 -3.955 8.624 1.00 0.00 C ATOM 600 CD GLN A 50 4.772 -4.979 8.578 1.00 0.00 C ATOM 601 OE1 GLN A 50 3.721 -4.738 7.983 1.00 0.00 O ATOM 602 NE2 GLN A 50 4.991 -6.129 9.205 1.00 0.00 N ATOM 0 H GLN A 50 3.472 -1.272 9.942 1.00 0.00 H new ATOM 0 HA GLN A 50 4.787 -3.632 10.902 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.600 -2.252 8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.233 -1.877 9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.317 -3.844 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.687 -4.321 9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.877 -6.287 9.686 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.274 -6.854 9.206 1.00 0.00 H new ATOM 611 N GLY A 51 6.471 -0.785 11.175 1.00 0.00 N ATOM 612 CA GLY A 51 7.511 -0.134 11.952 1.00 0.00 C ATOM 613 C GLY A 51 8.456 0.668 11.080 1.00 0.00 C ATOM 614 O GLY A 51 9.677 0.575 11.224 1.00 0.00 O ATOM 0 H GLY A 51 6.103 -0.229 10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.053 0.524 12.690 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.076 -0.886 12.502 1.00 0.00 H new ATOM 618 N LEU A 52 7.887 1.457 10.173 1.00 0.00 N ATOM 619 CA LEU A 52 8.672 2.284 9.267 1.00 0.00 C ATOM 620 C LEU A 52 8.272 3.752 9.411 1.00 0.00 C ATOM 621 O LEU A 52 7.695 4.149 10.425 1.00 0.00 O ATOM 622 CB LEU A 52 8.480 1.814 7.818 1.00 0.00 C ATOM 623 CG LEU A 52 8.479 0.296 7.611 1.00 0.00 C ATOM 624 CD1 LEU A 52 7.862 -0.060 6.267 1.00 0.00 C ATOM 625 CD2 LEU A 52 9.894 -0.259 7.715 1.00 0.00 C ATOM 0 H LEU A 52 6.878 1.540 10.047 1.00 0.00 H new ATOM 0 HA LEU A 52 9.726 2.185 9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.537 2.214 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.272 2.246 7.206 1.00 0.00 H new ATOM 0 HG LEU A 52 7.874 -0.157 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.870 -1.142 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.834 0.302 6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.439 0.405 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.873 -1.338 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.522 0.201 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.300 -0.037 8.702 1.00 0.00 H new ATOM 637 N SER A 53 8.578 4.552 8.393 1.00 0.00 N ATOM 638 CA SER A 53 8.248 5.973 8.408 1.00 0.00 C ATOM 639 C SER A 53 7.426 6.354 7.181 1.00 0.00 C ATOM 640 O SER A 53 7.376 5.611 6.200 1.00 0.00 O ATOM 641 CB SER A 53 9.522 6.820 8.467 1.00 0.00 C ATOM 642 OG SER A 53 9.327 7.977 9.263 1.00 0.00 O ATOM 0 H SER A 53 9.054 4.239 7.547 1.00 0.00 H new ATOM 0 HA SER A 53 7.652 6.169 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.339 6.226 8.877 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.815 7.113 7.459 1.00 0.00 H new ATOM 0 HG SER A 53 10.155 8.501 9.287 1.00 0.00 H new ATOM 648 N MET A 54 6.786 7.518 7.243 1.00 0.00 N ATOM 649 CA MET A 54 5.967 8.002 6.135 1.00 0.00 C ATOM 650 C MET A 54 6.741 8.999 5.267 1.00 0.00 C ATOM 651 O MET A 54 6.146 9.872 4.632 1.00 0.00 O ATOM 652 CB MET A 54 4.687 8.650 6.671 1.00 0.00 C ATOM 653 CG MET A 54 3.789 7.687 7.430 1.00 0.00 C ATOM 654 SD MET A 54 3.054 8.431 8.899 1.00 0.00 S ATOM 655 CE MET A 54 4.194 7.881 10.165 1.00 0.00 C ATOM 0 H MET A 54 6.818 8.144 8.048 1.00 0.00 H new ATOM 0 HA MET A 54 5.702 7.148 5.512 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.956 9.477 7.328 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.128 9.074 5.837 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.996 7.339 6.769 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.368 6.811 7.722 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.873 8.262 11.134 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.211 6.791 10.191 1.00 0.00 H new ATOM 0 HE3 MET A 54 5.193 8.254 9.942 1.00 0.00 H new ATOM 665 N ARG A 55 8.069 8.862 5.236 1.00 0.00 N ATOM 666 CA ARG A 55 8.914 9.751 4.440 1.00 0.00 C ATOM 667 C ARG A 55 9.940 8.968 3.609 1.00 0.00 C ATOM 668 O ARG A 55 10.822 9.563 2.985 1.00 0.00 O ATOM 669 CB ARG A 55 9.631 10.755 5.351 1.00 0.00 C ATOM 670 CG ARG A 55 8.951 12.115 5.412 1.00 0.00 C ATOM 671 CD ARG A 55 9.099 12.758 6.784 1.00 0.00 C ATOM 672 NE ARG A 55 7.939 13.579 7.136 1.00 0.00 N ATOM 673 CZ ARG A 55 7.945 14.513 8.091 1.00 0.00 C ATOM 674 NH1 ARG A 55 9.046 14.747 8.801 1.00 0.00 N ATOM 675 NH2 ARG A 55 6.845 15.215 8.339 1.00 0.00 N ATOM 0 H ARG A 55 8.580 8.146 5.752 1.00 0.00 H new ATOM 0 HA ARG A 55 8.267 10.289 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.690 10.342 6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.655 10.885 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.380 12.771 4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.893 12.004 5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.233 11.980 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.997 13.375 6.800 1.00 0.00 H new ATOM 0 HE ARG A 55 7.072 13.428 6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.894 14.211 8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.041 15.462 9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.997 15.041 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.849 15.928 9.068 1.00 0.00 H new ATOM 689 N GLN A 56 9.814 7.636 3.583 1.00 0.00 N ATOM 690 CA GLN A 56 10.719 6.797 2.812 1.00 0.00 C ATOM 691 C GLN A 56 10.089 5.429 2.565 1.00 0.00 C ATOM 692 O GLN A 56 10.428 4.441 3.221 1.00 0.00 O ATOM 693 CB GLN A 56 12.059 6.647 3.544 1.00 0.00 C ATOM 694 CG GLN A 56 13.232 6.370 2.617 1.00 0.00 C ATOM 695 CD GLN A 56 14.131 5.257 3.123 1.00 0.00 C ATOM 696 OE1 GLN A 56 15.327 5.460 3.335 1.00 0.00 O ATOM 697 NE2 GLN A 56 13.561 4.073 3.318 1.00 0.00 N ATOM 0 H GLN A 56 9.092 7.123 4.089 1.00 0.00 H new ATOM 0 HA GLN A 56 10.903 7.273 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.259 7.558 4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.979 5.836 4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.854 6.105 1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.820 7.281 2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.566 3.949 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.118 3.288 3.656 1.00 0.00 H new ATOM 706 N ILE A 57 9.173 5.390 1.604 1.00 0.00 N ATOM 707 CA ILE A 57 8.472 4.158 1.234 1.00 0.00 C ATOM 708 C ILE A 57 8.227 4.111 -0.276 1.00 0.00 C ATOM 709 O ILE A 57 8.214 5.147 -0.943 1.00 0.00 O ATOM 710 CB ILE A 57 7.110 4.033 1.957 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.250 4.328 3.454 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.509 2.649 1.744 1.00 0.00 C ATOM 713 CD1 ILE A 57 7.974 3.245 4.229 1.00 0.00 C ATOM 0 H ILE A 57 8.894 6.206 1.059 1.00 0.00 H new ATOM 0 HA ILE A 57 9.111 3.329 1.537 1.00 0.00 H new ATOM 0 HB ILE A 57 6.437 4.774 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.784 5.270 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.257 4.465 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.552 2.584 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.358 2.478 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.187 1.893 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.033 3.527 5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.430 2.305 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.981 3.123 3.829 1.00 0.00 H new ATOM 725 N ARG A 58 8.022 2.905 -0.807 1.00 0.00 N ATOM 726 CA ARG A 58 7.768 2.728 -2.236 1.00 0.00 C ATOM 727 C ARG A 58 6.730 1.633 -2.480 1.00 0.00 C ATOM 728 O ARG A 58 6.909 0.492 -2.054 1.00 0.00 O ATOM 729 CB ARG A 58 9.066 2.383 -2.971 1.00 0.00 C ATOM 730 CG ARG A 58 8.932 2.399 -4.487 1.00 0.00 C ATOM 731 CD ARG A 58 9.463 3.695 -5.082 1.00 0.00 C ATOM 732 NE ARG A 58 9.455 3.669 -6.546 1.00 0.00 N ATOM 733 CZ ARG A 58 10.242 4.428 -7.315 1.00 0.00 C ATOM 734 NH1 ARG A 58 11.083 5.303 -6.770 1.00 0.00 N ATOM 735 NH2 ARG A 58 10.181 4.317 -8.637 1.00 0.00 N ATOM 0 H ARG A 58 8.027 2.038 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 58 7.376 3.668 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.840 3.092 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.401 1.395 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.476 1.554 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.885 2.274 -4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.857 4.530 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.479 3.867 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 58 8.807 3.031 -7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.132 5.400 -5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.679 5.877 -7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.534 3.654 -9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.781 4.895 -9.226 1.00 0.00 H new ATOM 749 N PHE A 59 5.650 1.988 -3.178 1.00 0.00 N ATOM 750 CA PHE A 59 4.588 1.034 -3.490 1.00 0.00 C ATOM 751 C PHE A 59 4.625 0.651 -4.968 1.00 0.00 C ATOM 752 O PHE A 59 4.789 1.510 -5.836 1.00 0.00 O ATOM 753 CB PHE A 59 3.217 1.621 -3.132 1.00 0.00 C ATOM 754 CG PHE A 59 2.458 0.810 -2.115 1.00 0.00 C ATOM 755 CD1 PHE A 59 3.105 0.267 -1.014 1.00 0.00 C ATOM 756 CD2 PHE A 59 1.096 0.589 -2.261 1.00 0.00 C ATOM 757 CE1 PHE A 59 2.410 -0.480 -0.081 1.00 0.00 C ATOM 758 CE2 PHE A 59 0.397 -0.156 -1.330 1.00 0.00 C ATOM 759 CZ PHE A 59 1.055 -0.691 -0.239 1.00 0.00 C ATOM 0 H PHE A 59 5.489 2.929 -3.537 1.00 0.00 H new ATOM 0 HA PHE A 59 4.751 0.136 -2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.353 2.632 -2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.618 1.702 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.165 0.430 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.576 1.004 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.927 -0.898 0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.663 -0.320 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.510 -1.273 0.489 1.00 0.00 H new ATOM 769 N ARG A 60 4.476 -0.643 -5.246 1.00 0.00 N ATOM 770 CA ARG A 60 4.495 -1.137 -6.621 1.00 0.00 C ATOM 771 C ARG A 60 3.374 -2.142 -6.866 1.00 0.00 C ATOM 772 O ARG A 60 3.082 -2.983 -6.014 1.00 0.00 O ATOM 773 CB ARG A 60 5.844 -1.789 -6.935 1.00 0.00 C ATOM 774 CG ARG A 60 6.976 -0.792 -7.125 1.00 0.00 C ATOM 775 CD ARG A 60 7.872 -1.182 -8.291 1.00 0.00 C ATOM 776 NE ARG A 60 9.223 -1.528 -7.850 1.00 0.00 N ATOM 777 CZ ARG A 60 10.165 -0.630 -7.554 1.00 0.00 C ATOM 778 NH1 ARG A 60 9.905 0.673 -7.639 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.369 -1.038 -7.168 1.00 0.00 N ATOM 0 H ARG A 60 4.341 -1.366 -4.539 1.00 0.00 H new ATOM 0 HA ARG A 60 4.342 -0.282 -7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.105 -2.471 -6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.745 -2.390 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.562 0.201 -7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.569 -0.735 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.434 -2.030 -8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.922 -0.357 -9.002 1.00 0.00 H new ATOM 0 HE ARG A 60 9.460 -2.516 -7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.981 0.991 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.630 1.354 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.572 -2.035 -7.099 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.091 -0.354 -6.941 1.00 0.00 H new ATOM 793 N PHE A 61 2.760 -2.052 -8.044 1.00 0.00 N ATOM 794 CA PHE A 61 1.677 -2.953 -8.423 1.00 0.00 C ATOM 795 C PHE A 61 2.050 -3.727 -9.684 1.00 0.00 C ATOM 796 O PHE A 61 1.982 -3.194 -10.793 1.00 0.00 O ATOM 797 CB PHE A 61 0.385 -2.163 -8.650 1.00 0.00 C ATOM 798 CG PHE A 61 -0.868 -2.986 -8.524 1.00 0.00 C ATOM 799 CD1 PHE A 61 -1.086 -4.085 -9.342 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.832 -2.655 -7.586 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.240 -4.836 -9.224 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.987 -3.401 -7.463 1.00 0.00 C ATOM 803 CZ PHE A 61 -3.192 -4.494 -8.283 1.00 0.00 C ATOM 0 H PHE A 61 2.997 -1.360 -8.755 1.00 0.00 H new ATOM 0 HA PHE A 61 1.515 -3.663 -7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.342 -1.343 -7.933 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.415 -1.716 -9.644 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.345 -4.357 -10.080 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.678 -1.802 -6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.398 -5.689 -9.867 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.729 -3.131 -6.727 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.094 -5.080 -8.189 1.00 0.00 H new ATOM 813 N ASP A 62 2.454 -4.985 -9.502 1.00 0.00 N ATOM 814 CA ASP A 62 2.853 -5.846 -10.618 1.00 0.00 C ATOM 815 C ASP A 62 3.981 -5.207 -11.436 1.00 0.00 C ATOM 816 O ASP A 62 4.043 -5.364 -12.657 1.00 0.00 O ATOM 817 CB ASP A 62 1.649 -6.151 -11.516 1.00 0.00 C ATOM 818 CG ASP A 62 1.057 -7.519 -11.238 1.00 0.00 C ATOM 819 OD1 ASP A 62 1.517 -8.502 -11.858 1.00 0.00 O ATOM 820 OD2 ASP A 62 0.138 -7.609 -10.398 1.00 0.00 O ATOM 0 H ASP A 62 2.514 -5.433 -8.588 1.00 0.00 H new ATOM 0 HA ASP A 62 3.227 -6.782 -10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.884 -5.389 -11.366 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.954 -6.095 -12.561 1.00 0.00 H new ATOM 825 N GLY A 63 4.871 -4.486 -10.752 1.00 0.00 N ATOM 826 CA GLY A 63 5.982 -3.836 -11.428 1.00 0.00 C ATOM 827 C GLY A 63 5.765 -2.343 -11.627 1.00 0.00 C ATOM 828 O GLY A 63 6.729 -1.579 -11.688 1.00 0.00 O ATOM 0 H GLY A 63 4.841 -4.342 -9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.893 -3.991 -10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.136 -4.308 -12.398 1.00 0.00 H new ATOM 832 N GLN A 64 4.501 -1.924 -11.726 1.00 0.00 N ATOM 833 CA GLN A 64 4.172 -0.513 -11.919 1.00 0.00 C ATOM 834 C GLN A 64 4.511 0.305 -10.671 1.00 0.00 C ATOM 835 O GLN A 64 3.894 0.127 -9.619 1.00 0.00 O ATOM 836 CB GLN A 64 2.688 -0.352 -12.262 1.00 0.00 C ATOM 837 CG GLN A 64 2.368 -0.619 -13.725 1.00 0.00 C ATOM 838 CD GLN A 64 1.597 -1.911 -13.927 1.00 0.00 C ATOM 839 OE1 GLN A 64 2.099 -2.997 -13.639 1.00 0.00 O ATOM 840 NE2 GLN A 64 0.370 -1.800 -14.426 1.00 0.00 N ATOM 0 H GLN A 64 3.691 -2.542 -11.676 1.00 0.00 H new ATOM 0 HA GLN A 64 4.771 -0.139 -12.749 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.105 -1.032 -11.641 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.373 0.660 -12.009 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.787 0.213 -14.124 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.296 -0.661 -14.294 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.008 -0.880 -14.651 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.194 -2.635 -14.584 1.00 0.00 H new ATOM 849 N PRO A 65 5.503 1.214 -10.773 1.00 0.00 N ATOM 850 CA PRO A 65 5.922 2.055 -9.648 1.00 0.00 C ATOM 851 C PRO A 65 4.930 3.181 -9.363 1.00 0.00 C ATOM 852 O PRO A 65 4.686 4.037 -10.216 1.00 0.00 O ATOM 853 CB PRO A 65 7.262 2.624 -10.114 1.00 0.00 C ATOM 854 CG PRO A 65 7.168 2.652 -11.601 1.00 0.00 C ATOM 855 CD PRO A 65 6.295 1.488 -11.991 1.00 0.00 C ATOM 0 HA PRO A 65 5.984 1.492 -8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.430 3.622 -9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.093 2.002 -9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.739 3.593 -11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.155 2.567 -12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.654 1.735 -12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.890 0.623 -12.284 1.00 0.00 H new ATOM 863 N ILE A 66 4.362 3.173 -8.158 1.00 0.00 N ATOM 864 CA ILE A 66 3.394 4.193 -7.757 1.00 0.00 C ATOM 865 C ILE A 66 3.828 4.896 -6.468 1.00 0.00 C ATOM 866 O ILE A 66 4.825 4.517 -5.849 1.00 0.00 O ATOM 867 CB ILE A 66 1.985 3.590 -7.564 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.038 2.376 -6.631 1.00 0.00 C ATOM 869 CG2 ILE A 66 1.384 3.204 -8.909 1.00 0.00 C ATOM 870 CD1 ILE A 66 0.672 1.853 -6.239 1.00 0.00 C ATOM 0 H ILE A 66 4.555 2.472 -7.443 1.00 0.00 H new ATOM 0 HA ILE A 66 3.355 4.925 -8.564 1.00 0.00 H new ATOM 0 HB ILE A 66 1.348 4.346 -7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.597 1.578 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.587 2.645 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.391 2.781 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.308 4.089 -9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.022 2.466 -9.394 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.787 0.994 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.117 2.636 -5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.127 1.552 -7.134 1.00 0.00 H new ATOM 882 N ASN A 67 3.077 5.925 -6.073 1.00 0.00 N ATOM 883 CA ASN A 67 3.386 6.687 -4.862 1.00 0.00 C ATOM 884 C ASN A 67 2.317 6.481 -3.789 1.00 0.00 C ATOM 885 O ASN A 67 1.325 5.784 -4.013 1.00 0.00 O ATOM 886 CB ASN A 67 3.506 8.178 -5.194 1.00 0.00 C ATOM 887 CG ASN A 67 4.920 8.573 -5.572 1.00 0.00 C ATOM 888 OD1 ASN A 67 5.796 8.687 -4.714 1.00 0.00 O ATOM 889 ND2 ASN A 67 5.153 8.784 -6.863 1.00 0.00 N ATOM 0 H ASN A 67 2.250 6.250 -6.574 1.00 0.00 H new ATOM 0 HA ASN A 67 4.337 6.324 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.832 8.420 -6.016 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.185 8.766 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.086 9.051 -7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.399 8.679 -7.541 1.00 0.00 H new ATOM 896 N GLU A 68 2.520 7.103 -2.621 1.00 0.00 N ATOM 897 CA GLU A 68 1.566 6.994 -1.515 1.00 0.00 C ATOM 898 C GLU A 68 0.420 8.006 -1.653 1.00 0.00 C ATOM 899 O GLU A 68 -0.301 8.268 -0.691 1.00 0.00 O ATOM 900 CB GLU A 68 2.276 7.180 -0.164 1.00 0.00 C ATOM 901 CG GLU A 68 3.065 8.477 -0.048 1.00 0.00 C ATOM 902 CD GLU A 68 4.563 8.264 -0.169 1.00 0.00 C ATOM 903 OE1 GLU A 68 5.136 7.565 0.693 1.00 0.00 O ATOM 904 OE2 GLU A 68 5.161 8.797 -1.128 1.00 0.00 O ATOM 0 H GLU A 68 3.334 7.684 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 68 1.137 5.993 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.532 7.148 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.952 6.341 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.737 9.168 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.845 8.947 0.911 1.00 0.00 H new ATOM 911 N THR A 69 0.248 8.566 -2.852 1.00 0.00 N ATOM 912 CA THR A 69 -0.818 9.534 -3.107 1.00 0.00 C ATOM 913 C THR A 69 -1.660 9.121 -4.320 1.00 0.00 C ATOM 914 O THR A 69 -2.411 9.931 -4.867 1.00 0.00 O ATOM 915 CB THR A 69 -0.225 10.930 -3.332 1.00 0.00 C ATOM 916 OG1 THR A 69 1.033 10.847 -3.981 1.00 0.00 O ATOM 917 CG2 THR A 69 -0.032 11.710 -2.048 1.00 0.00 C ATOM 0 H THR A 69 0.835 8.365 -3.662 1.00 0.00 H new ATOM 0 HA THR A 69 -1.467 9.558 -2.232 1.00 0.00 H new ATOM 0 HB THR A 69 -0.951 11.455 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.392 11.749 -4.116 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.391 12.688 -2.277 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.994 11.837 -1.551 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.646 11.166 -1.391 1.00 0.00 H new ATOM 925 N ASP A 70 -1.533 7.857 -4.737 1.00 0.00 N ATOM 926 CA ASP A 70 -2.281 7.348 -5.881 1.00 0.00 C ATOM 927 C ASP A 70 -3.753 7.161 -5.527 1.00 0.00 C ATOM 928 O ASP A 70 -4.092 6.382 -4.637 1.00 0.00 O ATOM 929 CB ASP A 70 -1.686 6.021 -6.361 1.00 0.00 C ATOM 930 CG ASP A 70 -0.707 6.199 -7.505 1.00 0.00 C ATOM 931 OD1 ASP A 70 0.395 6.738 -7.265 1.00 0.00 O ATOM 932 OD2 ASP A 70 -1.039 5.795 -8.640 1.00 0.00 O ATOM 0 H ASP A 70 -0.919 7.172 -4.297 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.208 8.080 -6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.181 5.532 -5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.492 5.359 -6.678 1.00 0.00 H new ATOM 937 N THR A 71 -4.616 7.892 -6.227 1.00 0.00 N ATOM 938 CA THR A 71 -6.059 7.823 -5.995 1.00 0.00 C ATOM 939 C THR A 71 -6.804 7.189 -7.179 1.00 0.00 C ATOM 940 O THR A 71 -7.604 6.275 -6.977 1.00 0.00 O ATOM 941 CB THR A 71 -6.634 9.214 -5.698 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.682 10.033 -5.035 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.879 9.167 -4.838 1.00 0.00 C ATOM 0 H THR A 71 -4.341 8.542 -6.963 1.00 0.00 H new ATOM 0 HA THR A 71 -6.208 7.183 -5.125 1.00 0.00 H new ATOM 0 HB THR A 71 -6.892 9.632 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.074 10.914 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.238 10.181 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.652 8.591 -5.347 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.645 8.695 -3.884 1.00 0.00 H new ATOM 951 N PRO A 72 -6.569 7.656 -8.434 1.00 0.00 N ATOM 952 CA PRO A 72 -7.248 7.102 -9.618 1.00 0.00 C ATOM 953 C PRO A 72 -7.162 5.577 -9.682 1.00 0.00 C ATOM 954 O PRO A 72 -8.188 4.895 -9.691 1.00 0.00 O ATOM 955 CB PRO A 72 -6.499 7.739 -10.790 1.00 0.00 C ATOM 956 CG PRO A 72 -5.978 9.021 -10.245 1.00 0.00 C ATOM 957 CD PRO A 72 -5.644 8.749 -8.804 1.00 0.00 C ATOM 0 HA PRO A 72 -8.316 7.320 -9.614 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.690 7.098 -11.139 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.161 7.908 -11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.096 9.350 -10.795 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.722 9.813 -10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.602 8.451 -8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.797 9.632 -8.183 1.00 0.00 H new ATOM 965 N ALA A 73 -5.938 5.047 -9.704 1.00 0.00 N ATOM 966 CA ALA A 73 -5.736 3.599 -9.741 1.00 0.00 C ATOM 967 C ALA A 73 -6.252 2.966 -8.452 1.00 0.00 C ATOM 968 O ALA A 73 -6.840 1.884 -8.470 1.00 0.00 O ATOM 969 CB ALA A 73 -4.266 3.263 -9.945 1.00 0.00 C ATOM 0 H ALA A 73 -5.078 5.595 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.297 3.193 -10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.140 2.181 -9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.923 3.689 -10.888 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.681 3.678 -9.125 1.00 0.00 H new ATOM 975 N GLN A 74 -6.038 3.666 -7.336 1.00 0.00 N ATOM 976 CA GLN A 74 -6.491 3.199 -6.030 1.00 0.00 C ATOM 977 C GLN A 74 -7.989 2.898 -6.058 1.00 0.00 C ATOM 978 O GLN A 74 -8.433 1.861 -5.565 1.00 0.00 O ATOM 979 CB GLN A 74 -6.189 4.254 -4.961 1.00 0.00 C ATOM 980 CG GLN A 74 -6.527 3.806 -3.548 1.00 0.00 C ATOM 981 CD GLN A 74 -7.979 4.062 -3.181 1.00 0.00 C ATOM 982 OE1 GLN A 74 -8.620 4.967 -3.716 1.00 0.00 O ATOM 983 NE2 GLN A 74 -8.504 3.266 -2.257 1.00 0.00 N ATOM 0 H GLN A 74 -5.551 4.562 -7.314 1.00 0.00 H new ATOM 0 HA GLN A 74 -5.956 2.281 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.131 4.513 -5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.750 5.161 -5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.314 2.742 -3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.881 4.328 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.938 2.528 -1.839 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.473 3.393 -1.966 1.00 0.00 H new ATOM 992 N LEU A 75 -8.759 3.810 -6.651 1.00 0.00 N ATOM 993 CA LEU A 75 -10.205 3.644 -6.759 1.00 0.00 C ATOM 994 C LEU A 75 -10.549 2.637 -7.852 1.00 0.00 C ATOM 995 O LEU A 75 -11.543 1.917 -7.754 1.00 0.00 O ATOM 996 CB LEU A 75 -10.873 4.988 -7.057 1.00 0.00 C ATOM 997 CG LEU A 75 -12.375 5.045 -6.768 1.00 0.00 C ATOM 998 CD1 LEU A 75 -12.771 6.430 -6.283 1.00 0.00 C ATOM 999 CD2 LEU A 75 -13.175 4.657 -8.005 1.00 0.00 C ATOM 0 H LEU A 75 -8.403 4.672 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.579 3.267 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.376 5.761 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.711 5.232 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.601 4.328 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.842 6.453 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.225 6.665 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.530 7.167 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.240 4.704 -7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.946 5.347 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.912 3.643 -8.305 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.713 2.590 -8.892 1.00 0.00 N ATOM 1012 CA GLU A 76 -9.919 1.667 -10.005 1.00 0.00 C ATOM 1013 C GLU A 76 -10.000 0.216 -9.512 1.00 0.00 C ATOM 1014 O GLU A 76 -10.653 -0.623 -10.135 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.793 1.819 -11.039 1.00 0.00 C ATOM 1016 CG GLU A 76 -9.063 1.089 -12.348 1.00 0.00 C ATOM 1017 CD GLU A 76 -8.430 1.766 -13.551 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -8.608 2.993 -13.710 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -7.761 1.065 -14.339 1.00 0.00 O ATOM 0 H GLU A 76 -8.887 3.182 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.868 1.915 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.644 2.878 -11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.864 1.445 -10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.686 0.069 -12.273 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.140 1.020 -12.503 1.00 0.00 H new ATOM 1026 N MET A 77 -9.338 -0.071 -8.386 1.00 0.00 N ATOM 1027 CA MET A 77 -9.343 -1.416 -7.804 1.00 0.00 C ATOM 1028 C MET A 77 -10.767 -1.854 -7.452 1.00 0.00 C ATOM 1029 O MET A 77 -11.695 -1.042 -7.456 1.00 0.00 O ATOM 1030 CB MET A 77 -8.470 -1.453 -6.545 1.00 0.00 C ATOM 1031 CG MET A 77 -7.039 -0.992 -6.773 1.00 0.00 C ATOM 1032 SD MET A 77 -6.080 -2.157 -7.758 1.00 0.00 S ATOM 1033 CE MET A 77 -5.673 -1.146 -9.180 1.00 0.00 C ATOM 0 H MET A 77 -8.792 0.611 -7.860 1.00 0.00 H new ATOM 0 HA MET A 77 -8.938 -2.105 -8.546 1.00 0.00 H new ATOM 0 HB2 MET A 77 -8.926 -0.825 -5.780 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.456 -2.471 -6.155 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.049 -0.023 -7.272 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.550 -0.849 -5.809 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.079 -1.729 -9.883 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.591 -0.817 -9.667 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.102 -0.276 -8.856 1.00 0.00 H new ATOM 1043 N GLU A 78 -10.933 -3.139 -7.137 1.00 0.00 N ATOM 1044 CA GLU A 78 -12.247 -3.672 -6.775 1.00 0.00 C ATOM 1045 C GLU A 78 -12.209 -4.349 -5.404 1.00 0.00 C ATOM 1046 O GLU A 78 -12.897 -3.919 -4.475 1.00 0.00 O ATOM 1047 CB GLU A 78 -12.764 -4.652 -7.841 1.00 0.00 C ATOM 1048 CG GLU A 78 -11.702 -5.588 -8.408 1.00 0.00 C ATOM 1049 CD GLU A 78 -11.533 -5.441 -9.908 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -12.442 -5.861 -10.655 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -10.489 -4.905 -10.336 1.00 0.00 O ATOM 0 H GLU A 78 -10.179 -3.826 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.937 -2.830 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.564 -5.252 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.201 -4.081 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.749 -5.389 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.971 -6.619 -8.176 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.404 -5.407 -5.283 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.286 -6.137 -4.025 1.00 0.00 C ATOM 1060 C ASP A 79 -9.957 -6.886 -3.936 1.00 0.00 C ATOM 1061 O ASP A 79 -9.156 -6.636 -3.038 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.445 -7.124 -3.874 1.00 0.00 C ATOM 1063 CG ASP A 79 -13.638 -6.513 -3.165 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -13.495 -6.132 -1.985 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -14.715 -6.416 -3.790 1.00 0.00 O ATOM 0 H ASP A 79 -10.827 -5.774 -6.040 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.322 -5.408 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.752 -7.473 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.104 -7.998 -3.318 1.00 0.00 H new ATOM 1070 N GLU A 80 -9.738 -7.810 -4.868 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.513 -8.605 -4.889 1.00 0.00 C ATOM 1072 C GLU A 80 -7.422 -7.908 -5.700 1.00 0.00 C ATOM 1073 O GLU A 80 -7.531 -7.777 -6.921 1.00 0.00 O ATOM 1074 CB GLU A 80 -8.802 -9.995 -5.463 1.00 0.00 C ATOM 1075 CG GLU A 80 -8.011 -11.115 -4.804 1.00 0.00 C ATOM 1076 CD GLU A 80 -7.669 -12.231 -5.773 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -8.594 -12.958 -6.192 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -6.476 -12.376 -6.115 1.00 0.00 O ATOM 0 H GLU A 80 -10.393 -8.027 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.153 -8.712 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.866 -10.206 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.582 -9.989 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.091 -10.708 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.587 -11.523 -3.974 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.375 -7.458 -5.009 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.264 -6.763 -5.657 1.00 0.00 C ATOM 1087 C ASP A 81 -3.919 -7.187 -5.058 1.00 0.00 C ATOM 1088 O ASP A 81 -3.826 -7.482 -3.864 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.444 -5.245 -5.526 1.00 0.00 C ATOM 1090 CG ASP A 81 -6.868 -4.796 -5.809 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -7.298 -4.879 -6.979 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -7.552 -4.360 -4.859 1.00 0.00 O ATOM 0 H ASP A 81 -6.273 -7.563 -3.999 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.265 -7.035 -6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.163 -4.936 -4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.765 -4.742 -6.215 1.00 0.00 H new ATOM 1097 N THR A 82 -2.881 -7.216 -5.899 1.00 0.00 N ATOM 1098 CA THR A 82 -1.538 -7.604 -5.459 1.00 0.00 C ATOM 1099 C THR A 82 -0.549 -6.448 -5.610 1.00 0.00 C ATOM 1100 O THR A 82 -0.562 -5.733 -6.615 1.00 0.00 O ATOM 1101 CB THR A 82 -1.040 -8.821 -6.251 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.658 -8.892 -7.526 1.00 0.00 O ATOM 1103 CG2 THR A 82 -1.290 -10.136 -5.545 1.00 0.00 C ATOM 0 H THR A 82 -2.945 -6.975 -6.888 1.00 0.00 H new ATOM 0 HA THR A 82 -1.601 -7.867 -4.403 1.00 0.00 H new ATOM 0 HB THR A 82 0.036 -8.674 -6.348 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.321 -9.675 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.914 -10.955 -6.158 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.776 -10.137 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.360 -10.265 -5.384 1.00 0.00 H new ATOM 1111 N ILE A 83 0.309 -6.273 -4.602 1.00 0.00 N ATOM 1112 CA ILE A 83 1.311 -5.205 -4.612 1.00 0.00 C ATOM 1113 C ILE A 83 2.538 -5.586 -3.783 1.00 0.00 C ATOM 1114 O ILE A 83 2.463 -6.451 -2.907 1.00 0.00 O ATOM 1115 CB ILE A 83 0.739 -3.877 -4.062 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -0.274 -4.144 -2.944 1.00 0.00 C ATOM 1117 CG2 ILE A 83 0.100 -3.064 -5.179 1.00 0.00 C ATOM 1118 CD1 ILE A 83 -0.076 -3.275 -1.723 1.00 0.00 C ATOM 0 H ILE A 83 0.330 -6.859 -3.767 1.00 0.00 H new ATOM 0 HA ILE A 83 1.601 -5.067 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 83 1.564 -3.299 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.280 -3.986 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.208 -5.191 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.296 -2.134 -4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.849 -2.838 -5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.711 -3.637 -5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.830 -3.521 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.917 -3.450 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.172 -2.226 -2.003 1.00 0.00 H new ATOM 1130 N ASP A 84 3.662 -4.927 -4.061 1.00 0.00 N ATOM 1131 CA ASP A 84 4.905 -5.185 -3.339 1.00 0.00 C ATOM 1132 C ASP A 84 5.537 -3.877 -2.871 1.00 0.00 C ATOM 1133 O ASP A 84 5.866 -3.012 -3.685 1.00 0.00 O ATOM 1134 CB ASP A 84 5.891 -5.951 -4.226 1.00 0.00 C ATOM 1135 CG ASP A 84 5.554 -7.425 -4.331 1.00 0.00 C ATOM 1136 OD1 ASP A 84 6.032 -8.206 -3.482 1.00 0.00 O ATOM 1137 OD2 ASP A 84 4.811 -7.798 -5.264 1.00 0.00 O ATOM 0 H ASP A 84 3.736 -4.210 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 84 4.669 -5.793 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.895 -5.511 -5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.898 -5.840 -3.824 1.00 0.00 H new ATOM 1142 N VAL A 85 5.704 -3.738 -1.557 1.00 0.00 N ATOM 1143 CA VAL A 85 6.298 -2.531 -0.990 1.00 0.00 C ATOM 1144 C VAL A 85 7.825 -2.623 -0.977 1.00 0.00 C ATOM 1145 O VAL A 85 8.402 -3.532 -0.377 1.00 0.00 O ATOM 1146 CB VAL A 85 5.778 -2.246 0.439 1.00 0.00 C ATOM 1147 CG1 VAL A 85 6.136 -3.375 1.395 1.00 0.00 C ATOM 1148 CG2 VAL A 85 6.317 -0.914 0.944 1.00 0.00 C ATOM 0 H VAL A 85 5.438 -4.443 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 85 5.997 -1.702 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 85 4.691 -2.186 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.756 -3.143 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.689 -4.305 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.219 -3.486 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.942 -0.728 1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.406 -0.946 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.989 -0.114 0.281 1.00 0.00 H new ATOM 1158 N PHE A 86 8.468 -1.675 -1.653 1.00 0.00 N ATOM 1159 CA PHE A 86 9.924 -1.636 -1.739 1.00 0.00 C ATOM 1160 C PHE A 86 10.497 -0.490 -0.905 1.00 0.00 C ATOM 1161 O PHE A 86 9.799 0.480 -0.601 1.00 0.00 O ATOM 1162 CB PHE A 86 10.356 -1.481 -3.200 1.00 0.00 C ATOM 1163 CG PHE A 86 10.253 -2.753 -3.998 1.00 0.00 C ATOM 1164 CD1 PHE A 86 9.017 -3.252 -4.380 1.00 0.00 C ATOM 1165 CD2 PHE A 86 11.394 -3.448 -4.366 1.00 0.00 C ATOM 1166 CE1 PHE A 86 8.922 -4.420 -5.113 1.00 0.00 C ATOM 1167 CE2 PHE A 86 11.305 -4.615 -5.099 1.00 0.00 C ATOM 1168 CZ PHE A 86 10.067 -5.103 -5.473 1.00 0.00 C ATOM 0 H PHE A 86 7.999 -0.919 -2.152 1.00 0.00 H new ATOM 0 HA PHE A 86 10.312 -2.574 -1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.741 -0.715 -3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.386 -1.126 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.118 -2.722 -4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.364 -3.073 -4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.953 -4.798 -5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 86 12.202 -5.146 -5.380 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.995 -6.016 -6.045 1.00 0.00 H new ATOM 1178 N GLN A 87 11.774 -0.609 -0.541 1.00 0.00 N ATOM 1179 CA GLN A 87 12.451 0.414 0.255 1.00 0.00 C ATOM 1180 C GLN A 87 13.414 1.232 -0.606 1.00 0.00 C ATOM 1181 O GLN A 87 13.692 0.874 -1.752 1.00 0.00 O ATOM 1182 CB GLN A 87 13.215 -0.236 1.414 1.00 0.00 C ATOM 1183 CG GLN A 87 12.533 -0.074 2.762 1.00 0.00 C ATOM 1184 CD GLN A 87 11.750 -1.308 3.170 1.00 0.00 C ATOM 1185 OE1 GLN A 87 12.329 -2.353 3.469 1.00 0.00 O ATOM 1186 NE2 GLN A 87 10.427 -1.194 3.181 1.00 0.00 N ATOM 0 H GLN A 87 12.361 -1.406 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 87 11.692 1.086 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.339 -1.299 1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.214 0.197 1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.284 0.143 3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.860 0.783 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.989 -0.309 2.926 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.849 -1.992 3.445 1.00 0.00 H new ATOM 1195 N GLN A 88 13.924 2.329 -0.044 1.00 0.00 N ATOM 1196 CA GLN A 88 14.861 3.196 -0.760 1.00 0.00 C ATOM 1197 C GLN A 88 16.314 2.857 -0.407 1.00 0.00 C ATOM 1198 O GLN A 88 17.178 3.736 -0.376 1.00 0.00 O ATOM 1199 CB GLN A 88 14.568 4.666 -0.442 1.00 0.00 C ATOM 1200 CG GLN A 88 13.661 5.339 -1.462 1.00 0.00 C ATOM 1201 CD GLN A 88 12.380 5.873 -0.846 1.00 0.00 C ATOM 1202 OE1 GLN A 88 11.548 5.109 -0.358 1.00 0.00 O ATOM 1203 NE2 GLN A 88 12.215 7.192 -0.865 1.00 0.00 N ATOM 0 H GLN A 88 13.704 2.638 0.903 1.00 0.00 H new ATOM 0 HA GLN A 88 14.727 3.028 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.105 4.731 0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.510 5.213 -0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.200 6.159 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.412 4.625 -2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 88 12.930 7.790 -1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.373 7.606 -0.465 1.00 0.00 H new ATOM 1212 N GLN A 89 16.578 1.574 -0.147 1.00 0.00 N ATOM 1213 CA GLN A 89 17.919 1.117 0.198 1.00 0.00 C ATOM 1214 C GLN A 89 18.264 -0.164 -0.561 1.00 0.00 C ATOM 1215 O GLN A 89 18.227 -1.261 0.001 1.00 0.00 O ATOM 1216 CB GLN A 89 18.022 0.881 1.709 1.00 0.00 C ATOM 1217 CG GLN A 89 19.451 0.799 2.224 1.00 0.00 C ATOM 1218 CD GLN A 89 20.188 2.121 2.119 1.00 0.00 C ATOM 1219 OE1 GLN A 89 20.191 2.919 3.056 1.00 0.00 O ATOM 1220 NE2 GLN A 89 20.819 2.361 0.975 1.00 0.00 N ATOM 0 H GLN A 89 15.876 0.834 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 89 18.632 1.889 -0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.505 1.687 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.503 -0.044 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 89 19.440 0.476 3.265 1.00 0.00 H new ATOM 0 HG3 GLN A 89 19.993 0.040 1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.791 1.672 0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.331 3.234 0.848 1.00 0.00 H new ATOM 1229 N THR A 90 18.593 -0.017 -1.842 1.00 0.00 N ATOM 1230 CA THR A 90 18.938 -1.162 -2.683 1.00 0.00 C ATOM 1231 C THR A 90 20.196 -0.880 -3.503 1.00 0.00 C ATOM 1232 O THR A 90 21.214 -1.558 -3.343 1.00 0.00 O ATOM 1233 CB THR A 90 17.770 -1.513 -3.613 1.00 0.00 C ATOM 1234 OG1 THR A 90 16.524 -1.273 -2.978 1.00 0.00 O ATOM 1235 CG2 THR A 90 17.778 -2.957 -4.068 1.00 0.00 C ATOM 0 H THR A 90 18.628 0.883 -2.321 1.00 0.00 H new ATOM 0 HA THR A 90 19.138 -2.012 -2.030 1.00 0.00 H new ATOM 0 HB THR A 90 17.899 -0.870 -4.484 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.795 -1.503 -3.591 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.925 -3.137 -4.723 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.701 -3.163 -4.610 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.713 -3.612 -3.200 1.00 0.00 H new ATOM 1243 N GLY A 91 20.120 0.124 -4.379 1.00 0.00 N ATOM 1244 CA GLY A 91 21.257 0.481 -5.209 1.00 0.00 C ATOM 1245 C GLY A 91 21.378 -0.391 -6.445 1.00 0.00 C ATOM 1246 O GLY A 91 20.621 -0.226 -7.404 1.00 0.00 O ATOM 0 H GLY A 91 19.288 0.696 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 91 21.166 1.524 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.171 0.399 -4.621 1.00 0.00 H new ATOM 1250 N GLY A 92 22.337 -1.316 -6.421 1.00 0.00 N ATOM 1251 CA GLY A 92 22.550 -2.205 -7.551 1.00 0.00 C ATOM 1252 C GLY A 92 23.950 -2.087 -8.128 1.00 0.00 C ATOM 1253 O GLY A 92 24.468 -3.102 -8.639 1.00 0.00 O ATOM 0 H GLY A 92 22.971 -1.465 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 92 22.375 -3.234 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 92 21.820 -1.980 -8.329 1.00 0.00 H new TER 1257 GLY A 92