USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 76 GLN : amide:sc= -3.32! C(o=-3.3!,f=-8.7!) USER MOD Set 1.2: A 77 THR OG1 : rot -30:sc= 0.0624 USER MOD Set 2.1: A 23 HIS : no HE2:sc= -5.63! C(o=-5.6!,f=-8!) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 29 SER OG : rot 180:sc=-0.00618 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.144 K(o=0.14,f=-3.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -110:sc= -0.958 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 160:sc= -1.33 USER MOD Single : A 43 THR OG1 : rot 165:sc= -1.23 USER MOD Single : A 49 MET CE :methyl 161:sc=-0.00405 (180deg=-0.388) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.42! C(o=-3.4!,f=-8.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -110:sc= -0.265 (180deg=-1.1) USER MOD Single : A 62 SER OG : rot -4:sc= -0.587! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -7.63! C(o=-7.6!,f=-13!) USER MOD Single : A 83 MET CE :methyl -152:sc= -0.354 (180deg=-1.54!) USER MOD Single : A 86 ASN : amide:sc=-0.00597 K(o=-0.006,f=-0.58) USER MOD Single : A 92 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.25) USER MOD Single : A 95 GLN : amide:sc= -0.165 K(o=-0.16,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.542 0.340 -0.982 1.00 0.00 C ATOM 4 O GLU A 21 4.424 -0.488 -1.204 1.00 0.00 O ATOM 5 CB GLU A 21 1.458 0.971 -2.255 1.00 0.00 C ATOM 6 CG GLU A 21 -0.070 0.951 -2.174 1.00 0.00 C ATOM 7 CD GLU A 21 -0.639 -0.294 -2.856 1.00 0.00 C ATOM 8 OE1 GLU A 21 -0.455 -1.414 -2.357 1.00 0.00 O ATOM 9 OE2 GLU A 21 -1.295 -0.068 -3.944 1.00 0.00 O ATOM 0 HA GLU A 21 2.023 -1.000 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.823 1.980 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.776 0.703 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.383 0.973 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.475 1.846 -2.647 1.00 0.00 H new ATOM 17 N THR A 22 3.758 1.560 -0.513 1.00 0.00 N ATOM 18 CA THR A 22 5.105 2.020 -0.218 1.00 0.00 C ATOM 19 C THR A 22 5.064 3.198 0.758 1.00 0.00 C ATOM 20 O THR A 22 4.078 3.932 0.809 1.00 0.00 O ATOM 21 CB THR A 22 5.792 2.353 -1.543 1.00 0.00 C ATOM 22 OG1 THR A 22 7.159 2.017 -1.320 1.00 0.00 O ATOM 23 CG2 THR A 22 5.820 3.856 -1.827 1.00 0.00 C ATOM 0 H THR A 22 3.024 2.244 -0.330 1.00 0.00 H new ATOM 0 HA THR A 22 5.687 1.245 0.280 1.00 0.00 H new ATOM 0 HB THR A 22 5.279 1.839 -2.356 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.677 2.200 -2.131 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.319 4.037 -2.779 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.800 4.237 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.362 4.367 -1.031 1.00 0.00 H new ATOM 31 N HIS A 23 6.146 3.341 1.509 1.00 0.00 N ATOM 32 CA HIS A 23 6.246 4.416 2.480 1.00 0.00 C ATOM 33 C HIS A 23 6.876 5.646 1.822 1.00 0.00 C ATOM 34 O HIS A 23 8.087 5.690 1.611 1.00 0.00 O ATOM 35 CB HIS A 23 7.007 3.955 3.725 1.00 0.00 C ATOM 36 CG HIS A 23 6.977 4.945 4.865 1.00 0.00 C ATOM 37 ND1 HIS A 23 6.128 6.038 4.887 1.00 0.00 N ATOM 38 CD2 HIS A 23 7.698 4.994 6.022 1.00 0.00 C ATOM 39 CE1 HIS A 23 6.338 6.708 6.010 1.00 0.00 C ATOM 40 NE2 HIS A 23 7.311 6.060 6.712 1.00 0.00 N ATOM 0 H HIS A 23 6.961 2.730 1.464 1.00 0.00 H new ATOM 0 HA HIS A 23 5.249 4.698 2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.585 3.010 4.067 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.045 3.761 3.453 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.455 6.285 4.162 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.455 4.286 6.325 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.828 7.609 6.316 1.00 0.00 H new ATOM 48 N ILE A 24 6.025 6.614 1.515 1.00 0.00 N ATOM 49 CA ILE A 24 6.483 7.840 0.885 1.00 0.00 C ATOM 50 C ILE A 24 5.759 9.033 1.514 1.00 0.00 C ATOM 51 O ILE A 24 4.963 8.864 2.437 1.00 0.00 O ATOM 52 CB ILE A 24 6.320 7.755 -0.634 1.00 0.00 C ATOM 53 CG1 ILE A 24 4.848 7.600 -1.021 1.00 0.00 C ATOM 54 CG2 ILE A 24 7.187 6.636 -1.216 1.00 0.00 C ATOM 55 CD1 ILE A 24 4.539 8.354 -2.315 1.00 0.00 C ATOM 0 H ILE A 24 5.021 6.574 1.691 1.00 0.00 H new ATOM 0 HA ILE A 24 7.549 7.983 1.061 1.00 0.00 H new ATOM 0 HB ILE A 24 6.669 8.692 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.610 6.544 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.215 7.976 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.053 6.597 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.235 6.831 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.892 5.682 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.486 8.227 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.755 9.414 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.156 7.959 -3.122 1.00 0.00 H new ATOM 67 N ASN A 25 6.063 10.211 0.991 1.00 0.00 N ATOM 68 CA ASN A 25 5.452 11.432 1.490 1.00 0.00 C ATOM 69 C ASN A 25 4.380 11.901 0.504 1.00 0.00 C ATOM 70 O ASN A 25 4.472 11.630 -0.692 1.00 0.00 O ATOM 71 CB ASN A 25 6.487 12.549 1.631 1.00 0.00 C ATOM 72 CG ASN A 25 6.942 13.051 0.258 1.00 0.00 C ATOM 73 OD1 ASN A 25 7.249 12.285 -0.641 1.00 0.00 O ATOM 74 ND2 ASN A 25 6.967 14.376 0.148 1.00 0.00 N ATOM 0 H ASN A 25 6.724 10.347 0.227 1.00 0.00 H new ATOM 0 HA ASN A 25 5.019 11.217 2.467 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.061 13.375 2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.347 12.184 2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.256 14.810 -0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.697 14.959 0.940 1.00 0.00 H new ATOM 81 N LEU A 26 3.390 12.596 1.042 1.00 0.00 N ATOM 82 CA LEU A 26 2.302 13.106 0.225 1.00 0.00 C ATOM 83 C LEU A 26 2.278 14.633 0.310 1.00 0.00 C ATOM 84 O LEU A 26 2.623 15.207 1.342 1.00 0.00 O ATOM 85 CB LEU A 26 0.979 12.447 0.621 1.00 0.00 C ATOM 86 CG LEU A 26 -0.280 13.289 0.407 1.00 0.00 C ATOM 87 CD1 LEU A 26 -1.408 12.446 -0.191 1.00 0.00 C ATOM 88 CD2 LEU A 26 -0.706 13.979 1.704 1.00 0.00 C ATOM 0 H LEU A 26 3.318 12.818 2.035 1.00 0.00 H new ATOM 0 HA LEU A 26 2.459 12.847 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.873 11.521 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.034 12.172 1.674 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.048 14.074 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.291 13.069 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.090 12.042 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.647 11.626 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.603 14.571 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.914 13.227 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.096 14.632 2.049 1.00 0.00 H new ATOM 100 N LYS A 27 1.867 15.249 -0.789 1.00 0.00 N ATOM 101 CA LYS A 27 1.793 16.699 -0.851 1.00 0.00 C ATOM 102 C LYS A 27 0.608 17.108 -1.729 1.00 0.00 C ATOM 103 O LYS A 27 0.628 16.900 -2.941 1.00 0.00 O ATOM 104 CB LYS A 27 3.130 17.284 -1.311 1.00 0.00 C ATOM 105 CG LYS A 27 3.272 18.742 -0.868 1.00 0.00 C ATOM 106 CD LYS A 27 2.493 19.676 -1.796 1.00 0.00 C ATOM 107 CE LYS A 27 3.443 20.546 -2.621 1.00 0.00 C ATOM 108 NZ LYS A 27 3.454 21.934 -2.107 1.00 0.00 N ATOM 0 H LYS A 27 1.582 14.770 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 27 1.614 17.114 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.950 16.694 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.204 17.221 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.908 18.852 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.325 19.023 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.861 19.089 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.831 20.311 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.450 20.131 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.134 20.542 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.104 22.511 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.495 22.333 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.770 21.935 -1.116 1.00 0.00 H new ATOM 121 N VAL A 28 -0.395 17.683 -1.083 1.00 0.00 N ATOM 122 CA VAL A 28 -1.586 18.122 -1.789 1.00 0.00 C ATOM 123 C VAL A 28 -1.538 19.642 -1.964 1.00 0.00 C ATOM 124 O VAL A 28 -1.400 20.378 -0.989 1.00 0.00 O ATOM 125 CB VAL A 28 -2.839 17.645 -1.051 1.00 0.00 C ATOM 126 CG1 VAL A 28 -2.552 16.374 -0.250 1.00 0.00 C ATOM 127 CG2 VAL A 28 -3.398 18.748 -0.150 1.00 0.00 C ATOM 0 H VAL A 28 -0.407 17.855 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.624 17.680 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.597 17.406 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.459 16.056 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.223 15.585 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.770 16.574 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.288 18.383 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.646 19.032 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.659 19.616 -0.756 1.00 0.00 H new ATOM 137 N SER A 29 -1.655 20.065 -3.214 1.00 0.00 N ATOM 138 CA SER A 29 -1.626 21.483 -3.530 1.00 0.00 C ATOM 139 C SER A 29 -2.970 21.915 -4.119 1.00 0.00 C ATOM 140 O SER A 29 -3.598 21.161 -4.861 1.00 0.00 O ATOM 141 CB SER A 29 -0.491 21.808 -4.503 1.00 0.00 C ATOM 142 OG SER A 29 0.786 21.485 -3.960 1.00 0.00 O ATOM 0 H SER A 29 -1.770 19.451 -4.020 1.00 0.00 H new ATOM 0 HA SER A 29 -1.446 22.035 -2.608 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.640 21.257 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.521 22.868 -4.754 1.00 0.00 H new ATOM 0 HG SER A 29 1.484 21.705 -4.612 1.00 0.00 H new ATOM 148 N ASP A 30 -3.372 23.128 -3.767 1.00 0.00 N ATOM 149 CA ASP A 30 -4.631 23.669 -4.252 1.00 0.00 C ATOM 150 C ASP A 30 -4.624 25.190 -4.085 1.00 0.00 C ATOM 151 O ASP A 30 -3.798 25.735 -3.355 1.00 0.00 O ATOM 152 CB ASP A 30 -5.813 23.111 -3.458 1.00 0.00 C ATOM 153 CG ASP A 30 -7.015 24.051 -3.341 1.00 0.00 C ATOM 154 OD1 ASP A 30 -8.084 23.796 -3.915 1.00 0.00 O ATOM 155 OD2 ASP A 30 -6.819 25.098 -2.614 1.00 0.00 O ATOM 0 H ASP A 30 -2.848 23.751 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.738 23.389 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.141 22.183 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.470 22.857 -2.455 1.00 0.00 H new ATOM 161 N GLY A 31 -5.556 25.833 -4.774 1.00 0.00 N ATOM 162 CA GLY A 31 -5.668 27.280 -4.712 1.00 0.00 C ATOM 163 C GLY A 31 -4.981 27.830 -3.460 1.00 0.00 C ATOM 164 O GLY A 31 -3.905 28.420 -3.547 1.00 0.00 O ATOM 0 H GLY A 31 -6.240 25.378 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.219 27.722 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.719 27.567 -4.710 1.00 0.00 H new ATOM 168 N SER A 32 -5.629 27.616 -2.325 1.00 0.00 N ATOM 169 CA SER A 32 -5.094 28.082 -1.058 1.00 0.00 C ATOM 170 C SER A 32 -4.911 26.902 -0.101 1.00 0.00 C ATOM 171 O SER A 32 -4.410 27.071 1.010 1.00 0.00 O ATOM 172 CB SER A 32 -6.006 29.138 -0.429 1.00 0.00 C ATOM 173 OG SER A 32 -5.264 30.209 0.147 1.00 0.00 O ATOM 0 H SER A 32 -6.521 27.125 -2.257 1.00 0.00 H new ATOM 0 HA SER A 32 -4.125 28.543 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.682 29.532 -1.188 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.625 28.672 0.338 1.00 0.00 H new ATOM 0 HG SER A 32 -5.882 30.863 0.536 1.00 0.00 H new ATOM 179 N SER A 33 -5.326 25.734 -0.567 1.00 0.00 N ATOM 180 CA SER A 33 -5.214 24.526 0.233 1.00 0.00 C ATOM 181 C SER A 33 -3.913 23.794 -0.103 1.00 0.00 C ATOM 182 O SER A 33 -3.813 23.147 -1.144 1.00 0.00 O ATOM 183 CB SER A 33 -6.415 23.604 0.011 1.00 0.00 C ATOM 184 OG SER A 33 -6.166 22.281 0.478 1.00 0.00 O ATOM 0 H SER A 33 -5.741 25.598 -1.489 1.00 0.00 H new ATOM 0 HA SER A 33 -5.201 24.813 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.285 24.012 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.657 23.574 -1.051 1.00 0.00 H new ATOM 0 HG SER A 33 -6.089 21.673 -0.287 1.00 0.00 H new ATOM 190 N GLU A 34 -2.950 23.921 0.797 1.00 0.00 N ATOM 191 CA GLU A 34 -1.660 23.280 0.609 1.00 0.00 C ATOM 192 C GLU A 34 -1.215 22.592 1.902 1.00 0.00 C ATOM 193 O GLU A 34 -0.911 23.258 2.890 1.00 0.00 O ATOM 194 CB GLU A 34 -0.611 24.288 0.135 1.00 0.00 C ATOM 195 CG GLU A 34 -0.400 25.390 1.175 1.00 0.00 C ATOM 196 CD GLU A 34 0.359 26.574 0.573 1.00 0.00 C ATOM 197 OE1 GLU A 34 1.599 26.578 0.567 1.00 0.00 O ATOM 198 OE2 GLU A 34 -0.386 27.514 0.097 1.00 0.00 O ATOM 0 H GLU A 34 -3.037 24.459 1.659 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.763 22.521 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.332 23.775 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.927 24.730 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.365 25.727 1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.155 24.992 2.025 1.00 0.00 H new ATOM 206 N ILE A 35 -1.192 21.269 1.852 1.00 0.00 N ATOM 207 CA ILE A 35 -0.789 20.484 3.007 1.00 0.00 C ATOM 208 C ILE A 35 0.303 19.496 2.591 1.00 0.00 C ATOM 209 O ILE A 35 0.285 18.979 1.476 1.00 0.00 O ATOM 210 CB ILE A 35 -2.006 19.818 3.653 1.00 0.00 C ATOM 211 CG1 ILE A 35 -2.065 20.119 5.151 1.00 0.00 C ATOM 212 CG2 ILE A 35 -2.024 18.315 3.369 1.00 0.00 C ATOM 213 CD1 ILE A 35 -0.736 19.782 5.831 1.00 0.00 C ATOM 0 H ILE A 35 -1.446 20.720 1.030 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.361 21.128 3.775 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.905 20.241 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.300 21.172 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.869 19.543 5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.899 17.866 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.065 18.149 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.121 17.858 3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.805 20.005 6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.516 18.723 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.061 20.377 5.386 1.00 0.00 H new ATOM 225 N PHE A 36 1.228 19.265 3.511 1.00 0.00 N ATOM 226 CA PHE A 36 2.327 18.349 3.254 1.00 0.00 C ATOM 227 C PHE A 36 2.592 17.458 4.469 1.00 0.00 C ATOM 228 O PHE A 36 2.854 17.955 5.563 1.00 0.00 O ATOM 229 CB PHE A 36 3.567 19.203 2.982 1.00 0.00 C ATOM 230 CG PHE A 36 3.485 20.619 3.556 1.00 0.00 C ATOM 231 CD1 PHE A 36 2.726 21.561 2.936 1.00 0.00 C ATOM 232 CD2 PHE A 36 4.173 20.935 4.686 1.00 0.00 C ATOM 233 CE1 PHE A 36 2.650 22.876 3.468 1.00 0.00 C ATOM 234 CE2 PHE A 36 4.097 22.250 5.218 1.00 0.00 C ATOM 235 CZ PHE A 36 3.338 23.192 4.598 1.00 0.00 C ATOM 0 H PHE A 36 1.239 19.696 4.435 1.00 0.00 H new ATOM 0 HA PHE A 36 2.085 17.704 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.440 18.702 3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.723 19.267 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.180 21.310 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.777 20.187 5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.046 23.624 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.643 22.501 6.116 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.281 24.192 5.003 1.00 0.00 H new ATOM 245 N PHE A 37 2.516 16.156 4.235 1.00 0.00 N ATOM 246 CA PHE A 37 2.746 15.190 5.296 1.00 0.00 C ATOM 247 C PHE A 37 3.208 13.848 4.726 1.00 0.00 C ATOM 248 O PHE A 37 3.016 13.573 3.542 1.00 0.00 O ATOM 249 CB PHE A 37 1.410 14.991 6.016 1.00 0.00 C ATOM 250 CG PHE A 37 1.158 15.992 7.146 1.00 0.00 C ATOM 251 CD1 PHE A 37 2.083 16.154 8.130 1.00 0.00 C ATOM 252 CD2 PHE A 37 0.009 16.718 7.167 1.00 0.00 C ATOM 253 CE1 PHE A 37 1.849 17.082 9.179 1.00 0.00 C ATOM 254 CE2 PHE A 37 -0.226 17.646 8.216 1.00 0.00 C ATOM 255 CZ PHE A 37 0.700 17.808 9.200 1.00 0.00 C ATOM 0 H PHE A 37 2.298 15.747 3.326 1.00 0.00 H new ATOM 0 HA PHE A 37 3.522 15.555 5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.602 15.068 5.289 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.376 13.981 6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.996 15.577 8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.725 16.589 6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.584 17.211 9.960 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.139 18.223 8.233 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.522 18.514 9.998 1.00 0.00 H new ATOM 265 N LYS A 38 3.809 13.048 5.594 1.00 0.00 N ATOM 266 CA LYS A 38 4.301 11.741 5.191 1.00 0.00 C ATOM 267 C LYS A 38 3.213 10.693 5.438 1.00 0.00 C ATOM 268 O LYS A 38 2.443 10.805 6.391 1.00 0.00 O ATOM 269 CB LYS A 38 5.625 11.428 5.890 1.00 0.00 C ATOM 270 CG LYS A 38 6.802 12.054 5.139 1.00 0.00 C ATOM 271 CD LYS A 38 7.950 11.053 4.988 1.00 0.00 C ATOM 272 CE LYS A 38 9.267 11.771 4.688 1.00 0.00 C ATOM 273 NZ LYS A 38 10.398 11.071 5.338 1.00 0.00 N ATOM 0 H LYS A 38 3.967 13.279 6.575 1.00 0.00 H new ATOM 0 HA LYS A 38 4.520 11.729 4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.599 11.805 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.761 10.348 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.474 12.388 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.152 12.936 5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.050 10.469 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.723 10.352 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.428 11.813 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.216 12.800 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.285 11.571 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.250 11.053 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.455 10.096 4.979 1.00 0.00 H new ATOM 286 N ILE A 39 3.184 9.699 4.563 1.00 0.00 N ATOM 287 CA ILE A 39 2.204 8.633 4.673 1.00 0.00 C ATOM 288 C ILE A 39 2.857 7.303 4.289 1.00 0.00 C ATOM 289 O ILE A 39 3.789 7.275 3.487 1.00 0.00 O ATOM 290 CB ILE A 39 0.956 8.965 3.853 1.00 0.00 C ATOM 291 CG1 ILE A 39 0.110 10.032 4.550 1.00 0.00 C ATOM 292 CG2 ILE A 39 0.148 7.702 3.548 1.00 0.00 C ATOM 293 CD1 ILE A 39 0.119 11.342 3.759 1.00 0.00 C ATOM 0 H ILE A 39 3.824 9.610 3.774 1.00 0.00 H new ATOM 0 HA ILE A 39 1.863 8.535 5.704 1.00 0.00 H new ATOM 0 HB ILE A 39 1.276 9.381 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.914 9.675 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.495 10.207 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.734 7.966 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.764 7.005 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.162 7.234 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.490 12.084 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.142 11.708 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.289 11.169 2.763 1.00 0.00 H new ATOM 305 N LYS A 40 2.341 6.235 4.879 1.00 0.00 N ATOM 306 CA LYS A 40 2.862 4.906 4.608 1.00 0.00 C ATOM 307 C LYS A 40 2.094 4.290 3.437 1.00 0.00 C ATOM 308 O LYS A 40 1.495 3.225 3.574 1.00 0.00 O ATOM 309 CB LYS A 40 2.837 4.052 5.877 1.00 0.00 C ATOM 310 CG LYS A 40 3.920 2.971 5.833 1.00 0.00 C ATOM 311 CD LYS A 40 5.157 3.402 6.623 1.00 0.00 C ATOM 312 CE LYS A 40 5.112 2.858 8.052 1.00 0.00 C ATOM 313 NZ LYS A 40 5.799 3.782 8.981 1.00 0.00 N ATOM 0 H LYS A 40 1.568 6.263 5.544 1.00 0.00 H new ATOM 0 HA LYS A 40 3.909 4.961 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.988 4.687 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.858 3.586 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.527 2.041 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.197 2.770 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.056 3.043 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.217 4.490 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.076 2.724 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.586 1.877 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.759 3.397 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.792 3.890 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.329 4.710 8.958 1.00 0.00 H new ATOM 326 N LYS A 41 2.136 4.988 2.311 1.00 0.00 N ATOM 327 CA LYS A 41 1.452 4.523 1.117 1.00 0.00 C ATOM 328 C LYS A 41 1.626 5.554 0.000 1.00 0.00 C ATOM 329 O LYS A 41 1.348 6.737 0.193 1.00 0.00 O ATOM 330 CB LYS A 41 -0.010 4.197 1.430 1.00 0.00 C ATOM 331 CG LYS A 41 -0.234 2.685 1.491 1.00 0.00 C ATOM 332 CD LYS A 41 -1.171 2.315 2.642 1.00 0.00 C ATOM 333 CE LYS A 41 -2.617 2.201 2.158 1.00 0.00 C ATOM 334 NZ LYS A 41 -3.484 1.669 3.233 1.00 0.00 N ATOM 0 H LYS A 41 2.633 5.872 2.201 1.00 0.00 H new ATOM 0 HA LYS A 41 1.894 3.592 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.291 4.648 2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.655 4.633 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.656 2.338 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.722 2.177 1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.856 1.369 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.105 3.069 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.979 3.179 1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.665 1.547 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.462 1.598 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.148 0.726 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.452 2.308 4.053 1.00 0.00 H new ATOM 347 N THR A 42 2.086 5.069 -1.144 1.00 0.00 N ATOM 348 CA THR A 42 2.301 5.934 -2.291 1.00 0.00 C ATOM 349 C THR A 42 0.966 6.289 -2.949 1.00 0.00 C ATOM 350 O THR A 42 0.748 7.434 -3.340 1.00 0.00 O ATOM 351 CB THR A 42 3.277 5.230 -3.237 1.00 0.00 C ATOM 352 OG1 THR A 42 3.022 5.828 -4.506 1.00 0.00 O ATOM 353 CG2 THR A 42 2.930 3.754 -3.444 1.00 0.00 C ATOM 0 H THR A 42 2.316 4.088 -1.301 1.00 0.00 H new ATOM 0 HA THR A 42 2.743 6.885 -1.993 1.00 0.00 H new ATOM 0 HB THR A 42 4.289 5.313 -2.842 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.791 5.685 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.653 3.302 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.959 3.236 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.931 3.672 -3.871 1.00 0.00 H new ATOM 361 N THR A 43 0.108 5.285 -3.051 1.00 0.00 N ATOM 362 CA THR A 43 -1.200 5.477 -3.654 1.00 0.00 C ATOM 363 C THR A 43 -1.724 6.883 -3.356 1.00 0.00 C ATOM 364 O THR A 43 -2.324 7.116 -2.308 1.00 0.00 O ATOM 365 CB THR A 43 -2.122 4.365 -3.149 1.00 0.00 C ATOM 366 OG1 THR A 43 -3.433 4.851 -3.420 1.00 0.00 O ATOM 367 CG2 THR A 43 -2.085 4.220 -1.627 1.00 0.00 C ATOM 0 H THR A 43 0.293 4.336 -2.726 1.00 0.00 H new ATOM 0 HA THR A 43 -1.148 5.407 -4.741 1.00 0.00 H new ATOM 0 HB THR A 43 -1.837 3.420 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.075 4.114 -3.353 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.757 3.418 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.070 3.984 -1.309 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.402 5.155 -1.165 1.00 0.00 H new ATOM 375 N PRO A 44 -1.471 7.807 -4.321 1.00 0.00 N ATOM 376 CA PRO A 44 -1.911 9.184 -4.172 1.00 0.00 C ATOM 377 C PRO A 44 -3.418 9.306 -4.402 1.00 0.00 C ATOM 378 O PRO A 44 -4.138 9.833 -3.555 1.00 0.00 O ATOM 379 CB PRO A 44 -1.090 9.970 -5.182 1.00 0.00 C ATOM 380 CG PRO A 44 -0.562 8.948 -6.176 1.00 0.00 C ATOM 381 CD PRO A 44 -0.763 7.567 -5.575 1.00 0.00 C ATOM 0 HA PRO A 44 -1.754 9.569 -3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.701 10.721 -5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.271 10.499 -4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.090 9.031 -7.126 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.494 9.125 -6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.342 6.926 -6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.190 7.068 -5.402 1.00 0.00 H new ATOM 389 N LEU A 45 -3.852 8.810 -5.551 1.00 0.00 N ATOM 390 CA LEU A 45 -5.261 8.857 -5.903 1.00 0.00 C ATOM 391 C LEU A 45 -6.103 8.626 -4.647 1.00 0.00 C ATOM 392 O LEU A 45 -6.977 9.430 -4.325 1.00 0.00 O ATOM 393 CB LEU A 45 -5.563 7.875 -7.036 1.00 0.00 C ATOM 394 CG LEU A 45 -5.314 6.397 -6.727 1.00 0.00 C ATOM 395 CD1 LEU A 45 -5.817 5.507 -7.865 1.00 0.00 C ATOM 396 CD2 LEU A 45 -3.838 6.145 -6.411 1.00 0.00 C ATOM 0 H LEU A 45 -3.252 8.373 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.526 9.842 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.607 7.994 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.959 8.152 -7.900 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.884 6.133 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.628 4.462 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.888 5.660 -8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.294 5.764 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.688 5.087 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.228 6.430 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.545 6.738 -5.544 1.00 0.00 H new ATOM 408 N ARG A 46 -5.811 7.524 -3.972 1.00 0.00 N ATOM 409 CA ARG A 46 -6.531 7.177 -2.758 1.00 0.00 C ATOM 410 C ARG A 46 -6.123 8.108 -1.614 1.00 0.00 C ATOM 411 O ARG A 46 -6.948 8.466 -0.776 1.00 0.00 O ATOM 412 CB ARG A 46 -6.257 5.728 -2.350 1.00 0.00 C ATOM 413 CG ARG A 46 -6.891 4.750 -3.342 1.00 0.00 C ATOM 414 CD ARG A 46 -8.397 4.626 -3.102 1.00 0.00 C ATOM 415 NE ARG A 46 -9.127 4.774 -4.381 1.00 0.00 N ATOM 416 CZ ARG A 46 -10.372 4.302 -4.601 1.00 0.00 C ATOM 417 NH1 ARG A 46 -11.038 3.646 -3.626 1.00 0.00 N ATOM 418 NH2 ARG A 46 -10.929 4.491 -5.782 1.00 0.00 N ATOM 0 H ARG A 46 -5.086 6.860 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.596 7.290 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.182 5.557 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.653 5.546 -1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.708 5.090 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.422 3.771 -3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.624 3.658 -2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.725 5.389 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.660 5.264 -5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.600 3.504 -2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.979 3.292 -3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.419 4.988 -6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.869 4.140 -5.964 1.00 0.00 H new ATOM 431 N ARG A 47 -4.849 8.473 -1.617 1.00 0.00 N ATOM 432 CA ARG A 47 -4.321 9.355 -0.590 1.00 0.00 C ATOM 433 C ARG A 47 -5.017 10.717 -0.651 1.00 0.00 C ATOM 434 O ARG A 47 -5.898 11.004 0.157 1.00 0.00 O ATOM 435 CB ARG A 47 -2.813 9.552 -0.755 1.00 0.00 C ATOM 436 CG ARG A 47 -2.069 9.191 0.532 1.00 0.00 C ATOM 437 CD ARG A 47 -2.465 7.797 1.023 1.00 0.00 C ATOM 438 NE ARG A 47 -3.125 7.894 2.344 1.00 0.00 N ATOM 439 CZ ARG A 47 -3.960 6.958 2.843 1.00 0.00 C ATOM 440 NH1 ARG A 47 -4.244 5.845 2.134 1.00 0.00 N ATOM 441 NH2 ARG A 47 -4.494 7.147 4.036 1.00 0.00 N ATOM 0 H ARG A 47 -4.167 8.174 -2.314 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.511 8.889 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.449 8.933 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.605 10.588 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.994 9.227 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.291 9.929 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.137 7.327 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.581 7.163 1.095 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.937 8.720 2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.827 5.706 1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.876 5.143 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.273 7.990 4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.127 6.450 4.428 1.00 0.00 H new ATOM 454 N LEU A 48 -4.593 11.519 -1.617 1.00 0.00 N ATOM 455 CA LEU A 48 -5.164 12.843 -1.794 1.00 0.00 C ATOM 456 C LEU A 48 -6.680 12.770 -1.603 1.00 0.00 C ATOM 457 O LEU A 48 -7.278 13.665 -1.007 1.00 0.00 O ATOM 458 CB LEU A 48 -4.742 13.432 -3.142 1.00 0.00 C ATOM 459 CG LEU A 48 -4.198 14.862 -3.108 1.00 0.00 C ATOM 460 CD1 LEU A 48 -2.752 14.911 -3.604 1.00 0.00 C ATOM 461 CD2 LEU A 48 -5.105 15.812 -3.892 1.00 0.00 C ATOM 0 H LEU A 48 -3.861 11.277 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.780 13.528 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.980 12.785 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.601 13.407 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.194 15.201 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.390 15.939 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.127 14.285 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.707 14.545 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.696 16.821 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.164 15.485 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.103 15.807 -3.453 1.00 0.00 H new ATOM 473 N MET A 49 -7.259 11.695 -2.118 1.00 0.00 N ATOM 474 CA MET A 49 -8.694 11.494 -2.012 1.00 0.00 C ATOM 475 C MET A 49 -9.211 11.952 -0.647 1.00 0.00 C ATOM 476 O MET A 49 -10.247 12.609 -0.560 1.00 0.00 O ATOM 477 CB MET A 49 -9.017 10.012 -2.210 1.00 0.00 C ATOM 478 CG MET A 49 -10.068 9.822 -3.306 1.00 0.00 C ATOM 479 SD MET A 49 -11.452 8.891 -2.671 1.00 0.00 S ATOM 480 CE MET A 49 -12.148 10.094 -1.551 1.00 0.00 C ATOM 0 H MET A 49 -6.760 10.954 -2.610 1.00 0.00 H new ATOM 0 HA MET A 49 -9.184 12.088 -2.783 1.00 0.00 H new ATOM 0 HB2 MET A 49 -8.109 9.470 -2.474 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.381 9.587 -1.274 1.00 0.00 H new ATOM 0 HG2 MET A 49 -10.407 10.793 -3.668 1.00 0.00 H new ATOM 0 HG3 MET A 49 -9.628 9.301 -4.156 1.00 0.00 H new ATOM 0 HE1 MET A 49 -13.181 9.827 -1.326 1.00 0.00 H new ATOM 0 HE2 MET A 49 -11.568 10.110 -0.628 1.00 0.00 H new ATOM 0 HE3 MET A 49 -12.121 11.080 -2.014 1.00 0.00 H new ATOM 490 N GLU A 50 -8.466 11.586 0.386 1.00 0.00 N ATOM 491 CA GLU A 50 -8.837 11.951 1.743 1.00 0.00 C ATOM 492 C GLU A 50 -7.998 13.138 2.222 1.00 0.00 C ATOM 493 O GLU A 50 -8.541 14.137 2.690 1.00 0.00 O ATOM 494 CB GLU A 50 -8.691 10.759 2.691 1.00 0.00 C ATOM 495 CG GLU A 50 -9.854 10.703 3.684 1.00 0.00 C ATOM 496 CD GLU A 50 -9.700 9.519 4.641 1.00 0.00 C ATOM 497 OE1 GLU A 50 -9.281 9.703 5.793 1.00 0.00 O ATOM 498 OE2 GLU A 50 -10.037 8.374 4.150 1.00 0.00 O ATOM 0 H GLU A 50 -7.607 11.041 0.311 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.886 12.248 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.655 9.834 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.748 10.834 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.897 11.632 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.796 10.617 3.142 1.00 0.00 H new ATOM 506 N ALA A 51 -6.688 12.988 2.087 1.00 0.00 N ATOM 507 CA ALA A 51 -5.769 14.035 2.500 1.00 0.00 C ATOM 508 C ALA A 51 -6.328 15.395 2.076 1.00 0.00 C ATOM 509 O ALA A 51 -6.757 16.183 2.917 1.00 0.00 O ATOM 510 CB ALA A 51 -4.386 13.763 1.906 1.00 0.00 C ATOM 0 H ALA A 51 -6.242 12.158 1.698 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.662 14.046 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.696 14.548 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.021 12.799 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.454 13.748 0.818 1.00 0.00 H new ATOM 516 N PHE A 52 -6.306 15.628 0.772 1.00 0.00 N ATOM 517 CA PHE A 52 -6.805 16.879 0.226 1.00 0.00 C ATOM 518 C PHE A 52 -8.198 17.198 0.773 1.00 0.00 C ATOM 519 O PHE A 52 -8.474 18.334 1.154 1.00 0.00 O ATOM 520 CB PHE A 52 -6.893 16.702 -1.291 1.00 0.00 C ATOM 521 CG PHE A 52 -8.068 17.440 -1.936 1.00 0.00 C ATOM 522 CD1 PHE A 52 -8.075 18.799 -1.981 1.00 0.00 C ATOM 523 CD2 PHE A 52 -9.105 16.736 -2.465 1.00 0.00 C ATOM 524 CE1 PHE A 52 -9.165 19.484 -2.580 1.00 0.00 C ATOM 525 CE2 PHE A 52 -10.195 17.421 -3.064 1.00 0.00 C ATOM 526 CZ PHE A 52 -10.202 18.781 -3.109 1.00 0.00 C ATOM 0 H PHE A 52 -5.950 14.971 0.077 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.140 17.697 0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.965 17.053 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.976 15.639 -1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.251 19.357 -1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.099 15.657 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.171 20.563 -2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.019 16.863 -3.484 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.031 19.302 -3.565 1.00 0.00 H new ATOM 536 N ALA A 53 -9.040 16.174 0.793 1.00 0.00 N ATOM 537 CA ALA A 53 -10.397 16.331 1.286 1.00 0.00 C ATOM 538 C ALA A 53 -10.364 16.542 2.801 1.00 0.00 C ATOM 539 O ALA A 53 -11.395 16.806 3.418 1.00 0.00 O ATOM 540 CB ALA A 53 -11.230 15.112 0.885 1.00 0.00 C ATOM 0 H ALA A 53 -8.808 15.233 0.476 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.868 17.208 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.249 15.230 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.246 15.024 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.789 14.213 1.315 1.00 0.00 H new ATOM 546 N LYS A 54 -9.168 16.418 3.357 1.00 0.00 N ATOM 547 CA LYS A 54 -8.987 16.591 4.789 1.00 0.00 C ATOM 548 C LYS A 54 -8.612 18.046 5.078 1.00 0.00 C ATOM 549 O LYS A 54 -8.855 18.547 6.175 1.00 0.00 O ATOM 550 CB LYS A 54 -7.976 15.577 5.328 1.00 0.00 C ATOM 551 CG LYS A 54 -8.226 15.287 6.809 1.00 0.00 C ATOM 552 CD LYS A 54 -9.548 14.543 7.006 1.00 0.00 C ATOM 553 CE LYS A 54 -9.580 13.831 8.360 1.00 0.00 C ATOM 554 NZ LYS A 54 -9.738 12.371 8.174 1.00 0.00 N ATOM 0 H LYS A 54 -8.315 16.200 2.842 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.918 16.389 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.044 14.652 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.965 15.961 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.406 14.691 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.244 16.222 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.378 15.246 6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.683 13.816 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.660 14.036 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.402 14.218 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.758 11.903 9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.628 12.179 7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.940 12.003 7.618 1.00 0.00 H new ATOM 567 N ARG A 55 -8.026 18.684 4.075 1.00 0.00 N ATOM 568 CA ARG A 55 -7.616 20.071 4.208 1.00 0.00 C ATOM 569 C ARG A 55 -8.631 20.993 3.528 1.00 0.00 C ATOM 570 O ARG A 55 -9.186 21.887 4.164 1.00 0.00 O ATOM 571 CB ARG A 55 -6.235 20.299 3.589 1.00 0.00 C ATOM 572 CG ARG A 55 -5.312 21.034 4.563 1.00 0.00 C ATOM 573 CD ARG A 55 -5.034 22.460 4.085 1.00 0.00 C ATOM 574 NE ARG A 55 -6.002 23.397 4.699 1.00 0.00 N ATOM 575 CZ ARG A 55 -5.835 23.972 5.909 1.00 0.00 C ATOM 576 NH1 ARG A 55 -4.734 23.711 6.646 1.00 0.00 N ATOM 577 NH2 ARG A 55 -6.763 24.794 6.361 1.00 0.00 N ATOM 0 H ARG A 55 -7.826 18.265 3.167 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.567 20.301 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.792 19.341 3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.335 20.877 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.769 21.061 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.373 20.490 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.017 22.749 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.107 22.509 2.999 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.848 23.622 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.021 23.075 6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.616 24.150 7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.592 24.987 5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.652 25.237 7.273 1.00 0.00 H new ATOM 590 N GLN A 56 -8.842 20.743 2.244 1.00 0.00 N ATOM 591 CA GLN A 56 -9.780 21.538 1.471 1.00 0.00 C ATOM 592 C GLN A 56 -11.191 20.958 1.588 1.00 0.00 C ATOM 593 O GLN A 56 -12.159 21.699 1.746 1.00 0.00 O ATOM 594 CB GLN A 56 -9.344 21.631 0.007 1.00 0.00 C ATOM 595 CG GLN A 56 -10.128 22.718 -0.730 1.00 0.00 C ATOM 596 CD GLN A 56 -9.654 24.112 -0.317 1.00 0.00 C ATOM 597 OE1 GLN A 56 -9.438 24.403 0.848 1.00 0.00 O ATOM 598 NE2 GLN A 56 -9.504 24.956 -1.334 1.00 0.00 N ATOM 0 H GLN A 56 -8.379 20.001 1.720 1.00 0.00 H new ATOM 0 HA GLN A 56 -9.790 22.549 1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -8.277 21.848 -0.045 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.498 20.670 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.006 22.593 -1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.191 22.613 -0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.702 24.648 -2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.191 25.911 -1.162 1.00 0.00 H new ATOM 607 N GLY A 57 -11.262 19.638 1.506 1.00 0.00 N ATOM 608 CA GLY A 57 -12.538 18.949 1.600 1.00 0.00 C ATOM 609 C GLY A 57 -13.424 19.582 2.675 1.00 0.00 C ATOM 610 O GLY A 57 -14.649 19.508 2.598 1.00 0.00 O ATOM 0 H GLY A 57 -10.456 19.027 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.047 18.985 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.371 17.897 1.834 1.00 0.00 H new ATOM 614 N LYS A 58 -12.769 20.191 3.653 1.00 0.00 N ATOM 615 CA LYS A 58 -13.482 20.836 4.743 1.00 0.00 C ATOM 616 C LYS A 58 -14.495 21.827 4.167 1.00 0.00 C ATOM 617 O LYS A 58 -15.614 21.938 4.666 1.00 0.00 O ATOM 618 CB LYS A 58 -12.497 21.467 5.728 1.00 0.00 C ATOM 619 CG LYS A 58 -13.176 21.766 7.066 1.00 0.00 C ATOM 620 CD LYS A 58 -12.171 22.318 8.080 1.00 0.00 C ATOM 621 CE LYS A 58 -12.656 22.090 9.513 1.00 0.00 C ATOM 622 NZ LYS A 58 -12.739 23.375 10.243 1.00 0.00 N ATOM 0 H LYS A 58 -11.753 20.251 3.713 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.045 20.101 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.654 20.794 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.095 22.388 5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.980 22.486 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.631 20.857 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.204 21.835 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.023 23.384 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.634 21.609 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.975 21.414 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.070 23.202 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.799 23.819 10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.407 24.008 9.757 1.00 0.00 H new ATOM 635 N GLU A 59 -14.067 22.523 3.123 1.00 0.00 N ATOM 636 CA GLU A 59 -14.923 23.501 2.474 1.00 0.00 C ATOM 637 C GLU A 59 -15.744 22.837 1.367 1.00 0.00 C ATOM 638 O GLU A 59 -16.713 23.414 0.877 1.00 0.00 O ATOM 639 CB GLU A 59 -14.102 24.668 1.922 1.00 0.00 C ATOM 640 CG GLU A 59 -14.898 25.974 1.978 1.00 0.00 C ATOM 641 CD GLU A 59 -13.996 27.178 1.699 1.00 0.00 C ATOM 642 OE1 GLU A 59 -13.557 27.855 2.641 1.00 0.00 O ATOM 643 OE2 GLU A 59 -13.753 27.401 0.452 1.00 0.00 O ATOM 0 H GLU A 59 -13.139 22.429 2.711 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.611 23.903 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.182 24.774 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.812 24.458 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.706 25.943 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.360 26.081 2.959 1.00 0.00 H new ATOM 651 N MET A 60 -15.327 21.632 1.007 1.00 0.00 N ATOM 652 CA MET A 60 -16.011 20.883 -0.033 1.00 0.00 C ATOM 653 C MET A 60 -16.477 21.808 -1.159 1.00 0.00 C ATOM 654 O MET A 60 -17.481 21.536 -1.816 1.00 0.00 O ATOM 655 CB MET A 60 -17.219 20.162 0.568 1.00 0.00 C ATOM 656 CG MET A 60 -17.656 18.993 -0.316 1.00 0.00 C ATOM 657 SD MET A 60 -16.613 17.576 -0.015 1.00 0.00 S ATOM 658 CE MET A 60 -15.619 17.603 -1.498 1.00 0.00 C ATOM 0 H MET A 60 -14.524 21.156 1.417 1.00 0.00 H new ATOM 0 HA MET A 60 -15.313 20.157 -0.450 1.00 0.00 H new ATOM 0 HB2 MET A 60 -16.970 19.796 1.564 1.00 0.00 H new ATOM 0 HB3 MET A 60 -18.045 20.864 0.684 1.00 0.00 H new ATOM 0 HG2 MET A 60 -18.696 18.740 -0.110 1.00 0.00 H new ATOM 0 HG3 MET A 60 -17.600 19.280 -1.366 1.00 0.00 H new ATOM 0 HE1 MET A 60 -15.886 16.757 -2.131 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.799 18.532 -2.040 1.00 0.00 H new ATOM 0 HE3 MET A 60 -14.564 17.537 -1.230 1.00 0.00 H new ATOM 668 N ASP A 61 -15.725 22.882 -1.349 1.00 0.00 N ATOM 669 CA ASP A 61 -16.048 23.849 -2.384 1.00 0.00 C ATOM 670 C ASP A 61 -15.195 23.567 -3.623 1.00 0.00 C ATOM 671 O ASP A 61 -15.440 24.127 -4.690 1.00 0.00 O ATOM 672 CB ASP A 61 -15.748 25.275 -1.919 1.00 0.00 C ATOM 673 CG ASP A 61 -16.914 25.990 -1.233 1.00 0.00 C ATOM 674 OD1 ASP A 61 -17.489 25.483 -0.258 1.00 0.00 O ATOM 675 OD2 ASP A 61 -17.233 27.130 -1.746 1.00 0.00 O ATOM 0 H ASP A 61 -14.892 23.104 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 61 -17.111 23.759 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.903 25.247 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.437 25.864 -2.781 1.00 0.00 H new ATOM 681 N SER A 62 -14.210 22.700 -3.439 1.00 0.00 N ATOM 682 CA SER A 62 -13.320 22.337 -4.528 1.00 0.00 C ATOM 683 C SER A 62 -13.453 20.845 -4.839 1.00 0.00 C ATOM 684 O SER A 62 -13.254 20.005 -3.962 1.00 0.00 O ATOM 685 CB SER A 62 -11.867 22.681 -4.191 1.00 0.00 C ATOM 686 OG SER A 62 -11.263 21.691 -3.364 1.00 0.00 O ATOM 0 H SER A 62 -14.009 22.239 -2.552 1.00 0.00 H new ATOM 0 HA SER A 62 -13.607 22.912 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.295 22.781 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.831 23.647 -3.686 1.00 0.00 H new ATOM 0 HG SER A 62 -11.928 21.011 -3.128 1.00 0.00 H new ATOM 692 N LEU A 63 -13.789 20.561 -6.088 1.00 0.00 N ATOM 693 CA LEU A 63 -13.952 19.184 -6.525 1.00 0.00 C ATOM 694 C LEU A 63 -13.232 18.989 -7.861 1.00 0.00 C ATOM 695 O LEU A 63 -13.670 18.200 -8.697 1.00 0.00 O ATOM 696 CB LEU A 63 -15.434 18.806 -6.564 1.00 0.00 C ATOM 697 CG LEU A 63 -16.425 19.964 -6.435 1.00 0.00 C ATOM 698 CD1 LEU A 63 -17.763 19.617 -7.092 1.00 0.00 C ATOM 699 CD2 LEU A 63 -16.596 20.380 -4.972 1.00 0.00 C ATOM 0 H LEU A 63 -13.953 21.260 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.491 18.501 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.632 18.288 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.629 18.096 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 63 -16.017 20.823 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -18.449 20.457 -6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -17.605 19.408 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -18.189 18.738 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -17.306 21.205 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -16.970 19.535 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.634 20.697 -4.569 1.00 0.00 H new ATOM 711 N ARG A 64 -12.140 19.722 -8.020 1.00 0.00 N ATOM 712 CA ARG A 64 -11.355 19.639 -9.240 1.00 0.00 C ATOM 713 C ARG A 64 -10.056 18.871 -8.986 1.00 0.00 C ATOM 714 O ARG A 64 -9.113 19.413 -8.411 1.00 0.00 O ATOM 715 CB ARG A 64 -11.019 21.033 -9.774 1.00 0.00 C ATOM 716 CG ARG A 64 -11.494 21.196 -11.220 1.00 0.00 C ATOM 717 CD ARG A 64 -10.461 20.641 -12.202 1.00 0.00 C ATOM 718 NE ARG A 64 -11.081 19.605 -13.058 1.00 0.00 N ATOM 719 CZ ARG A 64 -10.617 19.251 -14.275 1.00 0.00 C ATOM 720 NH1 ARG A 64 -9.522 19.848 -14.791 1.00 0.00 N ATOM 721 NH2 ARG A 64 -11.250 18.312 -14.953 1.00 0.00 N ATOM 0 H ARG A 64 -11.780 20.376 -7.325 1.00 0.00 H new ATOM 0 HA ARG A 64 -11.953 19.111 -9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.489 21.790 -9.146 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.943 21.197 -9.720 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.444 20.679 -11.355 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.672 22.250 -11.431 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.066 21.447 -12.821 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.619 20.216 -11.655 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.911 19.128 -12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.038 20.573 -14.260 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.178 19.574 -15.711 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.077 17.866 -14.556 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.912 18.033 -15.874 1.00 0.00 H new ATOM 734 N PHE A 65 -10.050 17.621 -9.425 1.00 0.00 N ATOM 735 CA PHE A 65 -8.882 16.773 -9.252 1.00 0.00 C ATOM 736 C PHE A 65 -8.043 16.727 -10.530 1.00 0.00 C ATOM 737 O PHE A 65 -8.434 16.096 -11.511 1.00 0.00 O ATOM 738 CB PHE A 65 -9.394 15.366 -8.940 1.00 0.00 C ATOM 739 CG PHE A 65 -10.226 15.275 -7.659 1.00 0.00 C ATOM 740 CD1 PHE A 65 -11.534 15.647 -7.670 1.00 0.00 C ATOM 741 CD2 PHE A 65 -9.657 14.822 -6.510 1.00 0.00 C ATOM 742 CE1 PHE A 65 -12.305 15.563 -6.481 1.00 0.00 C ATOM 743 CE2 PHE A 65 -10.428 14.738 -5.321 1.00 0.00 C ATOM 744 CZ PHE A 65 -11.736 15.110 -5.331 1.00 0.00 C ATOM 0 H PHE A 65 -10.835 17.175 -9.900 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.253 17.164 -8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.997 15.016 -9.778 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.542 14.691 -8.856 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -11.986 16.006 -8.583 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.618 14.526 -6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -13.344 15.859 -6.489 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.976 14.379 -4.408 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.323 15.046 -4.427 1.00 0.00 H new ATOM 754 N LEU A 66 -6.906 17.404 -10.478 1.00 0.00 N ATOM 755 CA LEU A 66 -6.008 17.448 -11.620 1.00 0.00 C ATOM 756 C LEU A 66 -4.577 17.679 -11.130 1.00 0.00 C ATOM 757 O LEU A 66 -4.353 17.900 -9.941 1.00 0.00 O ATOM 758 CB LEU A 66 -6.485 18.487 -12.637 1.00 0.00 C ATOM 759 CG LEU A 66 -6.083 19.936 -12.354 1.00 0.00 C ATOM 760 CD1 LEU A 66 -4.605 20.167 -12.674 1.00 0.00 C ATOM 761 CD2 LEU A 66 -6.991 20.913 -13.103 1.00 0.00 C ATOM 0 H LEU A 66 -6.585 17.927 -9.663 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.015 16.494 -12.147 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.100 18.209 -13.618 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.572 18.437 -12.695 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.215 20.126 -11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.345 21.205 -12.464 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.992 19.508 -12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.423 19.953 -13.727 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.684 21.936 -12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.914 20.732 -14.175 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.023 20.768 -12.784 1.00 0.00 H new ATOM 773 N TYR A 67 -3.647 17.621 -12.072 1.00 0.00 N ATOM 774 CA TYR A 67 -2.244 17.821 -11.750 1.00 0.00 C ATOM 775 C TYR A 67 -1.733 19.143 -12.327 1.00 0.00 C ATOM 776 O TYR A 67 -1.097 19.926 -11.624 1.00 0.00 O ATOM 777 CB TYR A 67 -1.491 16.665 -12.411 1.00 0.00 C ATOM 778 CG TYR A 67 0.029 16.741 -12.255 1.00 0.00 C ATOM 779 CD1 TYR A 67 0.579 17.201 -11.075 1.00 0.00 C ATOM 780 CD2 TYR A 67 0.850 16.351 -13.293 1.00 0.00 C ATOM 781 CE1 TYR A 67 2.009 17.274 -10.928 1.00 0.00 C ATOM 782 CE2 TYR A 67 2.281 16.423 -13.145 1.00 0.00 C ATOM 783 CZ TYR A 67 2.790 16.881 -11.970 1.00 0.00 C ATOM 784 OH TYR A 67 4.141 16.949 -11.831 1.00 0.00 O ATOM 0 H TYR A 67 -3.837 17.439 -13.057 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.098 17.852 -10.670 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.843 15.725 -11.985 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.736 16.645 -13.473 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.064 17.506 -10.262 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.420 15.992 -14.216 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.452 17.633 -10.011 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.935 16.120 -13.949 1.00 0.00 H new ATOM 0 HH TYR A 67 4.571 16.635 -12.654 1.00 0.00 H new ATOM 794 N ASP A 68 -2.030 19.350 -13.602 1.00 0.00 N ATOM 795 CA ASP A 68 -1.608 20.563 -14.281 1.00 0.00 C ATOM 796 C ASP A 68 -2.843 21.352 -14.721 1.00 0.00 C ATOM 797 O ASP A 68 -3.120 22.425 -14.188 1.00 0.00 O ATOM 798 CB ASP A 68 -0.785 20.238 -15.529 1.00 0.00 C ATOM 799 CG ASP A 68 0.724 20.434 -15.378 1.00 0.00 C ATOM 800 OD1 ASP A 68 1.397 19.682 -14.656 1.00 0.00 O ATOM 801 OD2 ASP A 68 1.216 21.420 -16.049 1.00 0.00 O ATOM 0 H ASP A 68 -2.558 18.698 -14.182 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.998 21.143 -13.588 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.975 19.203 -15.812 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.137 20.862 -16.350 1.00 0.00 H new ATOM 807 N GLY A 69 -3.552 20.788 -15.688 1.00 0.00 N ATOM 808 CA GLY A 69 -4.751 21.426 -16.205 1.00 0.00 C ATOM 809 C GLY A 69 -5.462 20.520 -17.212 1.00 0.00 C ATOM 810 O GLY A 69 -5.926 20.985 -18.252 1.00 0.00 O ATOM 0 H GLY A 69 -3.319 19.897 -16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.426 21.661 -15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.488 22.370 -16.682 1.00 0.00 H new ATOM 814 N ILE A 70 -5.527 19.242 -16.868 1.00 0.00 N ATOM 815 CA ILE A 70 -6.174 18.266 -17.729 1.00 0.00 C ATOM 816 C ILE A 70 -6.617 17.066 -16.889 1.00 0.00 C ATOM 817 O ILE A 70 -6.458 15.920 -17.306 1.00 0.00 O ATOM 818 CB ILE A 70 -5.261 17.895 -18.899 1.00 0.00 C ATOM 819 CG1 ILE A 70 -3.789 18.089 -18.529 1.00 0.00 C ATOM 820 CG2 ILE A 70 -5.642 18.672 -20.160 1.00 0.00 C ATOM 821 CD1 ILE A 70 -2.967 16.847 -18.879 1.00 0.00 C ATOM 0 H ILE A 70 -5.142 18.860 -16.004 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.072 18.690 -18.178 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.401 16.837 -19.119 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.389 18.955 -19.057 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.703 18.298 -17.463 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.977 18.389 -20.976 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.671 18.440 -20.433 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.549 19.741 -19.970 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.925 17.012 -18.606 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.354 15.988 -18.331 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.035 16.655 -19.950 1.00 0.00 H new ATOM 833 N ARG A 71 -7.164 17.371 -15.722 1.00 0.00 N ATOM 834 CA ARG A 71 -7.632 16.332 -14.820 1.00 0.00 C ATOM 835 C ARG A 71 -6.626 15.179 -14.772 1.00 0.00 C ATOM 836 O ARG A 71 -7.001 14.017 -14.921 1.00 0.00 O ATOM 837 CB ARG A 71 -8.994 15.793 -15.260 1.00 0.00 C ATOM 838 CG ARG A 71 -8.937 15.264 -16.695 1.00 0.00 C ATOM 839 CD ARG A 71 -10.248 14.573 -17.077 1.00 0.00 C ATOM 840 NE ARG A 71 -10.010 13.605 -18.171 1.00 0.00 N ATOM 841 CZ ARG A 71 -10.992 12.971 -18.847 1.00 0.00 C ATOM 842 NH1 ARG A 71 -12.288 13.198 -18.546 1.00 0.00 N ATOM 843 NH2 ARG A 71 -10.664 12.125 -19.806 1.00 0.00 N ATOM 0 H ARG A 71 -7.294 18.323 -15.380 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.732 16.774 -13.829 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.308 14.995 -14.587 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.742 16.583 -15.189 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.742 16.087 -17.382 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.109 14.562 -16.795 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.664 14.060 -16.210 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.982 15.315 -17.390 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.044 13.404 -18.430 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.532 13.853 -17.803 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.024 12.715 -19.062 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.682 11.959 -20.026 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.393 11.637 -20.327 1.00 0.00 H new ATOM 856 N ILE A 72 -5.369 15.542 -14.564 1.00 0.00 N ATOM 857 CA ILE A 72 -4.307 14.553 -14.495 1.00 0.00 C ATOM 858 C ILE A 72 -3.824 14.429 -13.048 1.00 0.00 C ATOM 859 O ILE A 72 -4.240 15.200 -12.183 1.00 0.00 O ATOM 860 CB ILE A 72 -3.193 14.891 -15.488 1.00 0.00 C ATOM 861 CG1 ILE A 72 -3.109 16.401 -15.722 1.00 0.00 C ATOM 862 CG2 ILE A 72 -3.370 14.117 -16.795 1.00 0.00 C ATOM 863 CD1 ILE A 72 -1.777 16.781 -16.373 1.00 0.00 C ATOM 0 H ILE A 72 -5.062 16.507 -14.441 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.680 13.573 -14.792 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.242 14.578 -15.056 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.934 16.720 -16.359 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.217 16.926 -14.773 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.565 14.376 -17.483 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.343 13.047 -16.591 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.329 14.376 -17.244 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.743 17.859 -16.529 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.955 16.482 -15.722 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.683 16.273 -17.333 1.00 0.00 H new ATOM 875 N GLN A 73 -2.954 13.455 -12.829 1.00 0.00 N ATOM 876 CA GLN A 73 -2.410 13.221 -11.502 1.00 0.00 C ATOM 877 C GLN A 73 -0.925 12.864 -11.592 1.00 0.00 C ATOM 878 O GLN A 73 -0.360 12.814 -12.683 1.00 0.00 O ATOM 879 CB GLN A 73 -3.194 12.128 -10.773 1.00 0.00 C ATOM 880 CG GLN A 73 -4.669 12.510 -10.635 1.00 0.00 C ATOM 881 CD GLN A 73 -5.263 11.946 -9.343 1.00 0.00 C ATOM 882 OE1 GLN A 73 -4.563 11.494 -8.453 1.00 0.00 O ATOM 883 NE2 GLN A 73 -6.591 11.996 -9.291 1.00 0.00 N ATOM 0 H GLN A 73 -2.612 12.818 -13.548 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.508 14.140 -10.923 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.108 11.188 -11.319 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.763 11.964 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.769 13.595 -10.642 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.228 12.133 -11.491 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.118 12.388 -10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.083 11.643 -8.470 1.00 0.00 H new ATOM 892 N ALA A 74 -0.336 12.623 -10.430 1.00 0.00 N ATOM 893 CA ALA A 74 1.072 12.272 -10.364 1.00 0.00 C ATOM 894 C ALA A 74 1.223 10.756 -10.508 1.00 0.00 C ATOM 895 O ALA A 74 1.741 10.273 -11.513 1.00 0.00 O ATOM 896 CB ALA A 74 1.668 12.795 -9.055 1.00 0.00 C ATOM 0 H ALA A 74 -0.808 12.664 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 74 1.622 12.737 -11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.725 12.532 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.562 13.879 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.143 12.347 -8.211 1.00 0.00 H new ATOM 902 N ASP A 75 0.760 10.048 -9.488 1.00 0.00 N ATOM 903 CA ASP A 75 0.836 8.597 -9.489 1.00 0.00 C ATOM 904 C ASP A 75 -0.554 8.017 -9.220 1.00 0.00 C ATOM 905 O ASP A 75 -0.703 7.100 -8.414 1.00 0.00 O ATOM 906 CB ASP A 75 1.778 8.094 -8.393 1.00 0.00 C ATOM 907 CG ASP A 75 2.746 9.143 -7.841 1.00 0.00 C ATOM 908 OD1 ASP A 75 2.354 10.031 -7.069 1.00 0.00 O ATOM 909 OD2 ASP A 75 3.966 9.022 -8.241 1.00 0.00 O ATOM 0 H ASP A 75 0.331 10.452 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 75 1.212 8.280 -10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.179 7.706 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.357 7.259 -8.787 1.00 0.00 H new ATOM 915 N GLN A 76 -1.537 8.577 -9.910 1.00 0.00 N ATOM 916 CA GLN A 76 -2.910 8.127 -9.756 1.00 0.00 C ATOM 917 C GLN A 76 -3.055 6.686 -10.251 1.00 0.00 C ATOM 918 O GLN A 76 -4.101 6.065 -10.066 1.00 0.00 O ATOM 919 CB GLN A 76 -3.878 9.058 -10.489 1.00 0.00 C ATOM 920 CG GLN A 76 -5.267 8.426 -10.603 1.00 0.00 C ATOM 921 CD GLN A 76 -5.410 7.651 -11.915 1.00 0.00 C ATOM 922 OE1 GLN A 76 -4.475 7.048 -12.415 1.00 0.00 O ATOM 923 NE2 GLN A 76 -6.630 7.702 -12.442 1.00 0.00 N ATOM 0 H GLN A 76 -1.410 9.338 -10.577 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.164 8.154 -8.696 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.949 10.007 -9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.492 9.279 -11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.436 7.756 -9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.030 9.203 -10.550 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.368 8.226 -11.971 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.828 7.217 -13.317 1.00 0.00 H new ATOM 932 N THR A 77 -1.991 6.196 -10.869 1.00 0.00 N ATOM 933 CA THR A 77 -1.987 4.841 -11.392 1.00 0.00 C ATOM 934 C THR A 77 -1.427 3.869 -10.350 1.00 0.00 C ATOM 935 O THR A 77 -0.420 4.158 -9.705 1.00 0.00 O ATOM 936 CB THR A 77 -1.202 4.842 -12.705 1.00 0.00 C ATOM 937 OG1 THR A 77 -1.670 6.002 -13.388 1.00 0.00 O ATOM 938 CG2 THR A 77 -1.595 3.684 -13.624 1.00 0.00 C ATOM 0 H THR A 77 -1.125 6.714 -11.019 1.00 0.00 H new ATOM 0 HA THR A 77 -2.999 4.496 -11.603 1.00 0.00 H new ATOM 0 HB THR A 77 -0.135 4.787 -12.490 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.600 6.178 -13.134 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.008 3.732 -14.541 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.402 2.737 -13.119 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.655 3.756 -13.867 1.00 0.00 H new ATOM 946 N PRO A 78 -2.121 2.708 -10.216 1.00 0.00 N ATOM 947 CA PRO A 78 -1.704 1.693 -9.264 1.00 0.00 C ATOM 948 C PRO A 78 -0.474 0.938 -9.771 1.00 0.00 C ATOM 949 O PRO A 78 0.099 0.122 -9.050 1.00 0.00 O ATOM 950 CB PRO A 78 -2.919 0.797 -9.086 1.00 0.00 C ATOM 951 CG PRO A 78 -3.813 1.064 -10.286 1.00 0.00 C ATOM 952 CD PRO A 78 -3.318 2.332 -10.963 1.00 0.00 C ATOM 0 HA PRO A 78 -1.394 2.115 -8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.627 -0.252 -9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.438 1.023 -8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.782 0.224 -10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.850 1.179 -9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.090 2.156 -12.014 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.071 3.120 -10.927 1.00 0.00 H new ATOM 960 N GLU A 79 -0.104 1.237 -11.008 1.00 0.00 N ATOM 961 CA GLU A 79 1.048 0.597 -11.620 1.00 0.00 C ATOM 962 C GLU A 79 2.266 1.521 -11.553 1.00 0.00 C ATOM 963 O GLU A 79 3.388 1.095 -11.821 1.00 0.00 O ATOM 964 CB GLU A 79 0.747 0.191 -13.064 1.00 0.00 C ATOM 965 CG GLU A 79 1.193 -1.248 -13.333 1.00 0.00 C ATOM 966 CD GLU A 79 0.685 -1.734 -14.692 1.00 0.00 C ATOM 967 OE1 GLU A 79 -0.494 -1.538 -15.019 1.00 0.00 O ATOM 968 OE2 GLU A 79 1.565 -2.335 -15.419 1.00 0.00 O ATOM 0 H GLU A 79 -0.582 1.914 -11.603 1.00 0.00 H new ATOM 0 HA GLU A 79 1.274 -0.311 -11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.321 0.287 -13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.257 0.868 -13.750 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.281 -1.307 -13.305 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.818 -1.902 -12.546 1.00 0.00 H new ATOM 976 N ASP A 80 2.003 2.769 -11.195 1.00 0.00 N ATOM 977 CA ASP A 80 3.064 3.757 -11.089 1.00 0.00 C ATOM 978 C ASP A 80 3.533 3.843 -9.635 1.00 0.00 C ATOM 979 O ASP A 80 4.732 3.879 -9.367 1.00 0.00 O ATOM 980 CB ASP A 80 2.570 5.143 -11.510 1.00 0.00 C ATOM 981 CG ASP A 80 3.672 6.133 -11.893 1.00 0.00 C ATOM 982 OD1 ASP A 80 4.863 5.789 -11.907 1.00 0.00 O ATOM 983 OD2 ASP A 80 3.259 7.319 -12.189 1.00 0.00 O ATOM 0 H ASP A 80 1.071 3.119 -10.975 1.00 0.00 H new ATOM 0 HA ASP A 80 3.878 3.449 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.894 5.029 -12.357 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.988 5.569 -10.693 1.00 0.00 H new ATOM 989 N LEU A 81 2.561 3.873 -8.735 1.00 0.00 N ATOM 990 CA LEU A 81 2.859 3.954 -7.315 1.00 0.00 C ATOM 991 C LEU A 81 3.774 2.791 -6.923 1.00 0.00 C ATOM 992 O LEU A 81 4.708 2.968 -6.143 1.00 0.00 O ATOM 993 CB LEU A 81 1.567 4.021 -6.499 1.00 0.00 C ATOM 994 CG LEU A 81 0.738 2.736 -6.447 1.00 0.00 C ATOM 995 CD1 LEU A 81 1.221 1.818 -5.322 1.00 0.00 C ATOM 996 CD2 LEU A 81 -0.755 3.050 -6.331 1.00 0.00 C ATOM 0 H LEU A 81 1.567 3.843 -8.961 1.00 0.00 H new ATOM 0 HA LEU A 81 3.398 4.874 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.820 4.308 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.943 4.816 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 81 0.881 2.199 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.615 0.912 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.265 1.554 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.127 2.333 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.321 2.119 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.937 3.620 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.072 3.635 -7.194 1.00 0.00 H new ATOM 1008 N ASP A 82 3.472 1.628 -7.483 1.00 0.00 N ATOM 1009 CA ASP A 82 4.256 0.437 -7.201 1.00 0.00 C ATOM 1010 C ASP A 82 5.717 0.693 -7.576 1.00 0.00 C ATOM 1011 O ASP A 82 6.623 0.094 -6.999 1.00 0.00 O ATOM 1012 CB ASP A 82 3.759 -0.755 -8.022 1.00 0.00 C ATOM 1013 CG ASP A 82 3.340 -1.976 -7.200 1.00 0.00 C ATOM 1014 OD1 ASP A 82 2.505 -1.876 -6.289 1.00 0.00 O ATOM 1015 OD2 ASP A 82 3.917 -3.080 -7.533 1.00 0.00 O ATOM 0 H ASP A 82 2.696 1.485 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 82 4.157 0.211 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.910 -0.433 -8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.546 -1.054 -8.714 1.00 0.00 H new ATOM 1021 N MET A 83 5.901 1.584 -8.539 1.00 0.00 N ATOM 1022 CA MET A 83 7.236 1.926 -8.997 1.00 0.00 C ATOM 1023 C MET A 83 7.704 3.247 -8.384 1.00 0.00 C ATOM 1024 O MET A 83 8.545 3.256 -7.486 1.00 0.00 O ATOM 1025 CB MET A 83 7.239 2.042 -10.523 1.00 0.00 C ATOM 1026 CG MET A 83 7.960 0.852 -11.161 1.00 0.00 C ATOM 1027 SD MET A 83 7.866 0.965 -12.940 1.00 0.00 S ATOM 1028 CE MET A 83 6.102 0.810 -13.168 1.00 0.00 C ATOM 0 H MET A 83 5.147 2.080 -9.015 1.00 0.00 H new ATOM 0 HA MET A 83 7.920 1.138 -8.682 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.214 2.090 -10.890 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.728 2.970 -10.820 1.00 0.00 H new ATOM 0 HG2 MET A 83 9.003 0.835 -10.844 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.509 -0.081 -10.823 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.899 0.372 -14.145 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.689 0.168 -12.389 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.640 1.795 -13.109 1.00 0.00 H new ATOM 1038 N GLU A 84 7.139 4.332 -8.893 1.00 0.00 N ATOM 1039 CA GLU A 84 7.488 5.656 -8.407 1.00 0.00 C ATOM 1040 C GLU A 84 7.162 5.777 -6.917 1.00 0.00 C ATOM 1041 O GLU A 84 6.458 4.935 -6.361 1.00 0.00 O ATOM 1042 CB GLU A 84 6.775 6.742 -9.214 1.00 0.00 C ATOM 1043 CG GLU A 84 7.700 7.934 -9.467 1.00 0.00 C ATOM 1044 CD GLU A 84 8.850 7.547 -10.400 1.00 0.00 C ATOM 1045 OE1 GLU A 84 9.021 6.360 -10.714 1.00 0.00 O ATOM 1046 OE2 GLU A 84 9.580 8.532 -10.803 1.00 0.00 O ATOM 0 H GLU A 84 6.442 4.321 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 84 8.561 5.798 -8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.438 6.331 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.886 7.074 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.131 8.754 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.101 8.295 -8.520 1.00 0.00 H new ATOM 1054 N ASP A 85 7.689 6.832 -6.312 1.00 0.00 N ATOM 1055 CA ASP A 85 7.462 7.074 -4.897 1.00 0.00 C ATOM 1056 C ASP A 85 7.424 8.582 -4.642 1.00 0.00 C ATOM 1057 O ASP A 85 8.435 9.180 -4.278 1.00 0.00 O ATOM 1058 CB ASP A 85 8.589 6.480 -4.050 1.00 0.00 C ATOM 1059 CG ASP A 85 9.771 5.921 -4.845 1.00 0.00 C ATOM 1060 OD1 ASP A 85 9.753 4.763 -5.286 1.00 0.00 O ATOM 1061 OD2 ASP A 85 10.754 6.740 -5.007 1.00 0.00 O ATOM 0 H ASP A 85 8.272 7.529 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 85 6.517 6.605 -4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.958 7.250 -3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.177 5.682 -3.432 1.00 0.00 H new ATOM 1067 N ASN A 86 6.246 9.154 -4.845 1.00 0.00 N ATOM 1068 CA ASN A 86 6.062 10.581 -4.641 1.00 0.00 C ATOM 1069 C ASN A 86 4.587 10.935 -4.842 1.00 0.00 C ATOM 1070 O ASN A 86 4.148 11.167 -5.967 1.00 0.00 O ATOM 1071 CB ASN A 86 6.883 11.391 -5.646 1.00 0.00 C ATOM 1072 CG ASN A 86 7.479 12.638 -4.990 1.00 0.00 C ATOM 1073 OD1 ASN A 86 6.960 13.169 -4.022 1.00 0.00 O ATOM 1074 ND2 ASN A 86 8.594 13.074 -5.569 1.00 0.00 N ATOM 0 H ASN A 86 5.410 8.655 -5.149 1.00 0.00 H new ATOM 0 HA ASN A 86 6.389 10.822 -3.630 1.00 0.00 H new ATOM 0 HB2 ASN A 86 7.683 10.771 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.251 11.684 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.068 13.901 -5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 86 8.975 12.582 -6.377 1.00 0.00 H new ATOM 1081 N ASP A 87 3.863 10.965 -3.733 1.00 0.00 N ATOM 1082 CA ASP A 87 2.446 11.286 -3.772 1.00 0.00 C ATOM 1083 C ASP A 87 2.272 12.806 -3.763 1.00 0.00 C ATOM 1084 O ASP A 87 2.586 13.464 -2.773 1.00 0.00 O ATOM 1085 CB ASP A 87 1.718 10.719 -2.552 1.00 0.00 C ATOM 1086 CG ASP A 87 0.242 11.104 -2.444 1.00 0.00 C ATOM 1087 OD1 ASP A 87 -0.525 10.488 -1.687 1.00 0.00 O ATOM 1088 OD2 ASP A 87 -0.120 12.093 -3.188 1.00 0.00 O ATOM 0 H ASP A 87 4.231 10.772 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 87 2.026 10.848 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.794 9.632 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.233 11.055 -1.652 1.00 0.00 H new ATOM 1094 N ILE A 88 1.772 13.319 -4.878 1.00 0.00 N ATOM 1095 CA ILE A 88 1.553 14.749 -5.011 1.00 0.00 C ATOM 1096 C ILE A 88 0.572 15.006 -6.156 1.00 0.00 C ATOM 1097 O ILE A 88 0.756 14.498 -7.262 1.00 0.00 O ATOM 1098 CB ILE A 88 2.886 15.484 -5.166 1.00 0.00 C ATOM 1099 CG1 ILE A 88 2.855 16.428 -6.370 1.00 0.00 C ATOM 1100 CG2 ILE A 88 4.051 14.495 -5.243 1.00 0.00 C ATOM 1101 CD1 ILE A 88 3.029 15.654 -7.678 1.00 0.00 C ATOM 0 H ILE A 88 1.512 12.770 -5.697 1.00 0.00 H new ATOM 0 HA ILE A 88 1.098 15.150 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 88 3.043 16.098 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.910 16.970 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.647 17.171 -6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.987 15.043 -5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.084 13.900 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.913 13.837 -6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.003 16.348 -8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.986 15.132 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.222 14.929 -7.782 1.00 0.00 H new ATOM 1113 N ILE A 89 -0.449 15.794 -5.853 1.00 0.00 N ATOM 1114 CA ILE A 89 -1.460 16.124 -6.844 1.00 0.00 C ATOM 1115 C ILE A 89 -2.051 17.498 -6.524 1.00 0.00 C ATOM 1116 O ILE A 89 -1.772 18.068 -5.471 1.00 0.00 O ATOM 1117 CB ILE A 89 -2.505 15.010 -6.935 1.00 0.00 C ATOM 1118 CG1 ILE A 89 -1.875 13.643 -6.662 1.00 0.00 C ATOM 1119 CG2 ILE A 89 -3.230 15.048 -8.282 1.00 0.00 C ATOM 1120 CD1 ILE A 89 -2.942 12.549 -6.606 1.00 0.00 C ATOM 0 H ILE A 89 -0.598 16.214 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.014 16.192 -7.836 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.253 15.180 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.151 13.410 -7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.329 13.672 -5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.967 14.246 -8.321 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.732 16.009 -8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.508 14.916 -9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.467 11.587 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.651 12.772 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.470 12.506 -7.559 1.00 0.00 H new ATOM 1132 N GLU A 90 -2.858 17.990 -7.453 1.00 0.00 N ATOM 1133 CA GLU A 90 -3.491 19.287 -7.283 1.00 0.00 C ATOM 1134 C GLU A 90 -5.012 19.131 -7.229 1.00 0.00 C ATOM 1135 O GLU A 90 -5.587 18.346 -7.982 1.00 0.00 O ATOM 1136 CB GLU A 90 -3.078 20.249 -8.398 1.00 0.00 C ATOM 1137 CG GLU A 90 -3.749 21.613 -8.222 1.00 0.00 C ATOM 1138 CD GLU A 90 -3.831 22.360 -9.555 1.00 0.00 C ATOM 1139 OE1 GLU A 90 -4.925 22.495 -10.123 1.00 0.00 O ATOM 1140 OE2 GLU A 90 -2.707 22.809 -9.999 1.00 0.00 O ATOM 0 H GLU A 90 -3.088 17.514 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.155 19.713 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.995 20.370 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.350 19.828 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.751 21.479 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.188 22.208 -7.502 1.00 0.00 H new ATOM 1148 N ALA A 91 -5.621 19.892 -6.331 1.00 0.00 N ATOM 1149 CA ALA A 91 -7.065 19.849 -6.169 1.00 0.00 C ATOM 1150 C ALA A 91 -7.641 21.248 -6.396 1.00 0.00 C ATOM 1151 O ALA A 91 -7.692 22.059 -5.473 1.00 0.00 O ATOM 1152 CB ALA A 91 -7.407 19.295 -4.785 1.00 0.00 C ATOM 0 H ALA A 91 -5.141 20.542 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.514 19.184 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.490 19.263 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.000 18.289 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.975 19.938 -4.019 1.00 0.00 H new ATOM 1158 N HIS A 92 -8.062 21.486 -7.629 1.00 0.00 N ATOM 1159 CA HIS A 92 -8.634 22.773 -7.989 1.00 0.00 C ATOM 1160 C HIS A 92 -10.090 22.835 -7.526 1.00 0.00 C ATOM 1161 O HIS A 92 -10.599 21.884 -6.936 1.00 0.00 O ATOM 1162 CB HIS A 92 -8.476 23.038 -9.488 1.00 0.00 C ATOM 1163 CG HIS A 92 -7.669 24.273 -9.812 1.00 0.00 C ATOM 1164 ND1 HIS A 92 -8.094 25.229 -10.718 1.00 0.00 N ATOM 1165 CD2 HIS A 92 -6.462 24.698 -9.341 1.00 0.00 C ATOM 1166 CE1 HIS A 92 -7.175 26.181 -10.782 1.00 0.00 C ATOM 1167 NE2 HIS A 92 -6.164 25.850 -9.928 1.00 0.00 N ATOM 0 H HIS A 92 -8.019 20.810 -8.392 1.00 0.00 H new ATOM 0 HA HIS A 92 -8.093 23.571 -7.480 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.000 22.174 -9.951 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.465 23.135 -9.936 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.852 24.184 -8.613 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -7.219 27.064 -11.402 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -5.319 26.398 -9.767 1.00 0.00 H new ATOM 1175 N ARG A 93 -10.721 23.965 -7.812 1.00 0.00 N ATOM 1176 CA ARG A 93 -12.109 24.164 -7.433 1.00 0.00 C ATOM 1177 C ARG A 93 -13.022 23.988 -8.648 1.00 0.00 C ATOM 1178 O ARG A 93 -12.661 24.369 -9.760 1.00 0.00 O ATOM 1179 CB ARG A 93 -12.324 25.558 -6.840 1.00 0.00 C ATOM 1180 CG ARG A 93 -10.993 26.290 -6.665 1.00 0.00 C ATOM 1181 CD ARG A 93 -10.040 25.491 -5.774 1.00 0.00 C ATOM 1182 NE ARG A 93 -9.663 26.293 -4.588 1.00 0.00 N ATOM 1183 CZ ARG A 93 -9.098 27.518 -4.652 1.00 0.00 C ATOM 1184 NH1 ARG A 93 -8.839 28.092 -5.846 1.00 0.00 N ATOM 1185 NH2 ARG A 93 -8.802 28.145 -3.529 1.00 0.00 N ATOM 0 H ARG A 93 -10.296 24.752 -8.302 1.00 0.00 H new ATOM 0 HA ARG A 93 -12.356 23.418 -6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.979 26.137 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -12.826 25.474 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.533 26.454 -7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.169 27.272 -6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.516 24.563 -5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.147 25.217 -6.336 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.841 25.896 -3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.070 27.600 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.412 29.018 -5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.000 27.704 -2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.375 29.071 -3.559 1.00 0.00 H new ATOM 1198 N GLU A 94 -14.187 23.410 -8.394 1.00 0.00 N ATOM 1199 CA GLU A 94 -15.155 23.179 -9.454 1.00 0.00 C ATOM 1200 C GLU A 94 -16.546 22.947 -8.861 1.00 0.00 C ATOM 1201 O GLU A 94 -16.992 21.806 -8.744 1.00 0.00 O ATOM 1202 CB GLU A 94 -14.731 22.003 -10.336 1.00 0.00 C ATOM 1203 CG GLU A 94 -14.516 22.452 -11.782 1.00 0.00 C ATOM 1204 CD GLU A 94 -15.590 21.868 -12.703 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -16.391 22.621 -13.276 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -15.574 20.583 -12.813 1.00 0.00 O ATOM 0 H GLU A 94 -14.483 23.095 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 94 -15.194 24.067 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.812 21.565 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.494 21.225 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.538 23.540 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.530 22.136 -12.122 1.00 0.00 H new ATOM 1214 N GLN A 95 -17.193 24.046 -8.503 1.00 0.00 N ATOM 1215 CA GLN A 95 -18.524 23.977 -7.925 1.00 0.00 C ATOM 1216 C GLN A 95 -19.284 25.279 -8.184 1.00 0.00 C ATOM 1217 O GLN A 95 -19.130 26.250 -7.444 1.00 0.00 O ATOM 1218 CB GLN A 95 -18.456 23.670 -6.427 1.00 0.00 C ATOM 1219 CG GLN A 95 -19.849 23.714 -5.795 1.00 0.00 C ATOM 1220 CD GLN A 95 -20.294 22.320 -5.349 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -20.521 21.427 -6.149 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -20.404 22.184 -4.031 1.00 0.00 N ATOM 0 H GLN A 95 -16.820 24.990 -8.602 1.00 0.00 H new ATOM 0 HA GLN A 95 -19.065 23.162 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -18.014 22.686 -6.273 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -17.806 24.392 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -19.842 24.389 -4.939 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -20.565 24.116 -6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -20.199 22.973 -3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -20.694 21.291 -3.633 1.00 0.00 H new ATOM 1231 N ILE A 96 -20.088 25.259 -9.237 1.00 0.00 N ATOM 1232 CA ILE A 96 -20.872 26.426 -9.603 1.00 0.00 C ATOM 1233 C ILE A 96 -22.249 26.337 -8.942 1.00 0.00 C ATOM 1234 O ILE A 96 -22.562 25.347 -8.283 1.00 0.00 O ATOM 1235 CB ILE A 96 -20.928 26.578 -11.124 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -21.744 25.451 -11.758 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -19.521 26.671 -11.718 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -23.241 25.653 -11.514 1.00 0.00 C ATOM 0 H ILE A 96 -20.213 24.452 -9.849 1.00 0.00 H new ATOM 0 HA ILE A 96 -20.398 27.335 -9.233 1.00 0.00 H new ATOM 0 HB ILE A 96 -21.438 27.513 -11.355 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -21.548 25.414 -12.830 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -21.430 24.493 -11.344 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.589 26.778 -12.801 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -19.006 27.535 -11.299 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -18.964 25.765 -11.478 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -23.798 24.838 -11.975 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -23.437 25.665 -10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -23.556 26.601 -11.951 1.00 0.00 H new TER 1250 ILE A 96