USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 6 LYS NZ :NH3+ -135:sc= -0.0491 (180deg=-0.583) USER MOD Set 1.2: A 7 LYS NZ :NH3+ -163:sc= -0.0388 (180deg=-0.381) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.125 (180deg=-0.874) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 11 ASN : amide:sc= -1.77! C(o=-1.8!,f=-11!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -4:sc= 1.09 USER MOD Single : A 17 CYS SG : rot 100:sc= -8.42! USER MOD Single : A 22 GLN : amide:sc= -0.0285 X(o=-0.028,f=0) USER MOD Single : A 23 SER OG : rot 137:sc= 0.0485! USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 5:sc= 0.342 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.342 USER MOD Single : A 56 ASN : amide:sc= -2.47! C(o=-2.5!,f=-8.5!) USER MOD Single : A 57 ASN :FLIP amide:sc= -2.99! C(o=-3.9!,f=-3!) USER MOD Single : A 58 ASN : amide:sc= -5.54! C(o=-5.5!,f=-10!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -122:sc= -7.73! (180deg=-9.96!) USER MOD Single : A 67 ASN : amide:sc= -0.637 K(o=-0.64,f=-2.9!) USER MOD Single : A 69 THR OG1 : rot 177:sc= -0.442 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -170:sc= -0.484 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -101:sc= 0.788 USER MOD Single : A 78 ASN : amide:sc= -0.0604 X(o=-0.06,f=-0.13) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.403 -0.952 -0.180 1.00 0.00 N ATOM 2 CA MET A 1 14.521 -1.343 -1.613 1.00 0.00 C ATOM 3 C MET A 1 13.138 -1.301 -2.267 1.00 0.00 C ATOM 4 O MET A 1 12.147 -1.004 -1.630 1.00 0.00 O ATOM 5 CB MET A 1 15.087 -2.761 -1.709 1.00 0.00 C ATOM 6 CG MET A 1 14.298 -3.692 -0.787 1.00 0.00 C ATOM 7 SD MET A 1 14.908 -5.386 -0.974 1.00 0.00 S ATOM 8 CE MET A 1 13.810 -5.873 -2.327 1.00 0.00 C ATOM 0 H1 MET A 1 15.141 -1.433 0.373 1.00 0.00 H new ATOM 0 H2 MET A 1 14.519 0.078 -0.090 1.00 0.00 H new ATOM 0 H3 MET A 1 13.466 -1.227 0.179 1.00 0.00 H new ATOM 0 HA MET A 1 15.188 -0.650 -2.126 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.030 -3.117 -2.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.140 -2.763 -1.429 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.402 -3.369 0.249 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.236 -3.648 -1.030 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.016 -6.905 -2.610 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.773 -5.786 -2.003 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.978 -5.222 -3.185 1.00 0.00 H new ATOM 20 N GLU A 2 13.063 -1.596 -3.536 1.00 0.00 N ATOM 21 CA GLU A 2 11.746 -1.573 -4.230 1.00 0.00 C ATOM 22 C GLU A 2 10.877 -2.721 -3.715 1.00 0.00 C ATOM 23 O GLU A 2 11.308 -3.855 -3.644 1.00 0.00 O ATOM 24 CB GLU A 2 11.960 -1.732 -5.738 1.00 0.00 C ATOM 25 CG GLU A 2 12.800 -0.564 -6.260 1.00 0.00 C ATOM 26 CD GLU A 2 12.837 -0.605 -7.789 1.00 0.00 C ATOM 27 OE1 GLU A 2 11.779 -0.525 -8.390 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.924 -0.717 -8.332 1.00 0.00 O ATOM 0 H GLU A 2 13.858 -1.852 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 2 11.248 -0.624 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.462 -2.677 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.999 -1.761 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.377 0.382 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.812 -0.622 -5.859 1.00 0.00 H new ATOM 35 N TRP A 3 9.652 -2.437 -3.353 1.00 0.00 N ATOM 36 CA TRP A 3 8.746 -3.508 -2.840 1.00 0.00 C ATOM 37 C TRP A 3 7.852 -4.004 -3.977 1.00 0.00 C ATOM 38 O TRP A 3 7.907 -3.507 -5.085 1.00 0.00 O ATOM 39 CB TRP A 3 7.871 -2.937 -1.721 1.00 0.00 C ATOM 40 CG TRP A 3 8.740 -2.389 -0.635 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.559 -1.318 -0.760 1.00 0.00 C ATOM 42 CD2 TRP A 3 8.893 -2.861 0.735 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.204 -1.106 0.445 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.826 -2.031 1.398 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.317 -3.921 1.458 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.177 -2.243 2.732 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.667 -4.137 2.802 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.595 -3.300 3.437 1.00 0.00 C ATOM 0 H TRP A 3 9.239 -1.505 -3.391 1.00 0.00 H new ATOM 0 HA TRP A 3 9.341 -4.336 -2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.226 -2.152 -2.115 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.220 -3.715 -1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.688 -0.726 -1.654 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.877 -0.357 0.610 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.602 -4.573 0.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.893 -1.595 3.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.218 -4.953 3.349 1.00 0.00 H new ATOM 0 HH2 TRP A 3 9.860 -3.472 4.470 1.00 0.00 H new ATOM 59 N TRP A 4 7.022 -4.980 -3.712 1.00 0.00 N ATOM 60 CA TRP A 4 6.117 -5.512 -4.777 1.00 0.00 C ATOM 61 C TRP A 4 4.770 -5.881 -4.154 1.00 0.00 C ATOM 62 O TRP A 4 4.693 -6.708 -3.266 1.00 0.00 O ATOM 63 CB TRP A 4 6.746 -6.758 -5.405 1.00 0.00 C ATOM 64 CG TRP A 4 7.908 -6.354 -6.254 1.00 0.00 C ATOM 65 CD1 TRP A 4 7.815 -5.769 -7.471 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.332 -6.493 -5.976 1.00 0.00 C ATOM 67 NE1 TRP A 4 9.090 -5.540 -7.956 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.059 -5.970 -7.071 1.00 0.00 C ATOM 69 CE3 TRP A 4 10.055 -7.018 -4.889 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.454 -5.966 -7.087 1.00 0.00 C ATOM 71 CZ3 TRP A 4 11.460 -7.016 -4.903 1.00 0.00 C ATOM 72 CH2 TRP A 4 12.157 -6.491 -6.001 1.00 0.00 C ATOM 0 H TRP A 4 6.931 -5.433 -2.803 1.00 0.00 H new ATOM 0 HA TRP A 4 5.970 -4.753 -5.546 1.00 0.00 H new ATOM 0 HB2 TRP A 4 7.073 -7.446 -4.625 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.008 -7.287 -6.008 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.895 -5.521 -7.980 1.00 0.00 H new ATOM 0 HE1 TRP A 4 9.290 -5.106 -8.857 1.00 0.00 H new ATOM 0 HE3 TRP A 4 9.527 -7.425 -4.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 11.987 -5.559 -7.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 12.006 -7.421 -4.064 1.00 0.00 H new ATOM 0 HH2 TRP A 4 13.237 -6.493 -6.006 1.00 0.00 H new ATOM 83 N VAL A 5 3.707 -5.273 -4.604 1.00 0.00 N ATOM 84 CA VAL A 5 2.371 -5.591 -4.027 1.00 0.00 C ATOM 85 C VAL A 5 1.880 -6.936 -4.569 1.00 0.00 C ATOM 86 O VAL A 5 1.903 -7.185 -5.758 1.00 0.00 O ATOM 87 CB VAL A 5 1.377 -4.489 -4.405 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.955 -3.127 -4.020 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.118 -4.523 -5.915 1.00 0.00 C ATOM 0 H VAL A 5 3.706 -4.571 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 5 2.451 -5.651 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 5 0.440 -4.652 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.248 -2.342 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.136 -3.099 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.894 -2.967 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.410 -3.738 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.055 -4.363 -6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.704 -5.493 -6.191 1.00 0.00 H new ATOM 99 N LYS A 6 1.433 -7.807 -3.702 1.00 0.00 N ATOM 100 CA LYS A 6 0.932 -9.138 -4.158 1.00 0.00 C ATOM 101 C LYS A 6 -0.581 -9.061 -4.371 1.00 0.00 C ATOM 102 O LYS A 6 -1.110 -9.578 -5.334 1.00 0.00 O ATOM 103 CB LYS A 6 1.241 -10.190 -3.090 1.00 0.00 C ATOM 104 CG LYS A 6 0.904 -11.582 -3.629 1.00 0.00 C ATOM 105 CD LYS A 6 1.173 -12.629 -2.547 1.00 0.00 C ATOM 106 CE LYS A 6 0.724 -14.004 -3.044 1.00 0.00 C ATOM 107 NZ LYS A 6 -0.757 -14.010 -3.220 1.00 0.00 N ATOM 0 H LYS A 6 1.393 -7.653 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 6 1.421 -9.413 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.294 -10.142 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.663 -9.988 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.141 -11.621 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.504 -11.796 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.235 -12.648 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.639 -12.369 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.214 -14.239 -3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.019 -14.774 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.151 -14.883 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.168 -13.187 -2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.986 -13.964 -4.233 1.00 0.00 H new ATOM 121 N LYS A 7 -1.280 -8.410 -3.476 1.00 0.00 N ATOM 122 CA LYS A 7 -2.765 -8.283 -3.610 1.00 0.00 C ATOM 123 C LYS A 7 -3.182 -6.871 -3.192 1.00 0.00 C ATOM 124 O LYS A 7 -2.410 -6.132 -2.616 1.00 0.00 O ATOM 125 CB LYS A 7 -3.450 -9.309 -2.695 1.00 0.00 C ATOM 126 CG LYS A 7 -3.362 -10.719 -3.311 1.00 0.00 C ATOM 127 CD LYS A 7 -4.515 -10.944 -4.298 1.00 0.00 C ATOM 128 CE LYS A 7 -4.481 -12.389 -4.799 1.00 0.00 C ATOM 129 NZ LYS A 7 -3.210 -12.627 -5.538 1.00 0.00 N ATOM 0 H LYS A 7 -0.884 -7.958 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.060 -8.466 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.977 -9.304 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.494 -9.034 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.407 -10.840 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.398 -11.470 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.469 -10.738 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.429 -10.254 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.561 -13.079 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.334 -12.580 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.300 -13.487 -6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.010 -11.814 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.431 -12.746 -4.859 1.00 0.00 H new ATOM 143 N VAL A 8 -4.397 -6.489 -3.480 1.00 0.00 N ATOM 144 CA VAL A 8 -4.853 -5.122 -3.097 1.00 0.00 C ATOM 145 C VAL A 8 -6.381 -5.060 -3.136 1.00 0.00 C ATOM 146 O VAL A 8 -7.025 -5.791 -3.860 1.00 0.00 O ATOM 147 CB VAL A 8 -4.268 -4.096 -4.075 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.553 -4.540 -5.511 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.903 -2.720 -3.828 1.00 0.00 C ATOM 0 H VAL A 8 -5.091 -7.061 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.511 -4.895 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.191 -4.027 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.137 -3.811 -6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.095 -5.513 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.630 -4.613 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.484 -1.995 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.981 -2.785 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.696 -2.402 -2.806 1.00 0.00 H new ATOM 159 N GLN A 9 -6.961 -4.180 -2.357 1.00 0.00 N ATOM 160 CA GLN A 9 -8.452 -4.039 -2.328 1.00 0.00 C ATOM 161 C GLN A 9 -8.817 -2.559 -2.457 1.00 0.00 C ATOM 162 O GLN A 9 -8.377 -1.732 -1.684 1.00 0.00 O ATOM 163 CB GLN A 9 -8.986 -4.580 -0.999 1.00 0.00 C ATOM 164 CG GLN A 9 -8.341 -5.935 -0.703 1.00 0.00 C ATOM 165 CD GLN A 9 -8.994 -6.552 0.536 1.00 0.00 C ATOM 166 OE1 GLN A 9 -8.433 -6.518 1.612 1.00 0.00 O ATOM 167 NE2 GLN A 9 -10.164 -7.120 0.426 1.00 0.00 N ATOM 0 H GLN A 9 -6.461 -3.547 -1.733 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.892 -4.600 -3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.768 -3.878 -0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.070 -4.684 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.459 -6.600 -1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.270 -5.812 -0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.634 -7.148 -0.479 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.608 -7.536 1.245 1.00 0.00 H new ATOM 176 N ASP A 10 -9.616 -2.218 -3.431 1.00 0.00 N ATOM 177 CA ASP A 10 -10.004 -0.791 -3.614 1.00 0.00 C ATOM 178 C ASP A 10 -10.630 -0.257 -2.323 1.00 0.00 C ATOM 179 O ASP A 10 -10.870 -0.992 -1.386 1.00 0.00 O ATOM 180 CB ASP A 10 -11.015 -0.680 -4.758 1.00 0.00 C ATOM 181 CG ASP A 10 -12.074 -1.773 -4.613 1.00 0.00 C ATOM 182 OD1 ASP A 10 -13.025 -1.555 -3.880 1.00 0.00 O ATOM 183 OD2 ASP A 10 -11.916 -2.810 -5.236 1.00 0.00 O ATOM 0 H ASP A 10 -10.017 -2.867 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.118 -0.203 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.487 0.302 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.506 -0.777 -5.717 1.00 0.00 H new ATOM 188 N ASN A 11 -10.894 1.021 -2.269 1.00 0.00 N ATOM 189 CA ASN A 11 -11.502 1.609 -1.041 1.00 0.00 C ATOM 190 C ASN A 11 -12.953 1.144 -0.922 1.00 0.00 C ATOM 191 O ASN A 11 -13.875 1.935 -0.966 1.00 0.00 O ATOM 192 CB ASN A 11 -11.464 3.136 -1.133 1.00 0.00 C ATOM 193 CG ASN A 11 -11.985 3.579 -2.501 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.132 2.773 -3.399 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.275 4.837 -2.700 1.00 0.00 N ATOM 0 H ASN A 11 -10.715 1.684 -3.023 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.940 1.284 -0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.072 3.574 -0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.445 3.494 -0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.625 5.142 -3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.152 5.514 -1.947 1.00 0.00 H new ATOM 202 N ALA A 12 -13.163 -0.133 -0.772 1.00 0.00 N ATOM 203 CA ALA A 12 -14.554 -0.649 -0.650 1.00 0.00 C ATOM 204 C ALA A 12 -15.111 -0.298 0.731 1.00 0.00 C ATOM 205 O ALA A 12 -16.292 -0.423 0.984 1.00 0.00 O ATOM 206 CB ALA A 12 -14.546 -2.166 -0.831 1.00 0.00 C ATOM 0 H ALA A 12 -12.431 -0.842 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.182 -0.194 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.563 -2.548 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.150 -2.413 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.919 -2.621 -0.064 1.00 0.00 H new ATOM 212 N SER A 13 -14.269 0.142 1.628 1.00 0.00 N ATOM 213 CA SER A 13 -14.752 0.502 2.992 1.00 0.00 C ATOM 214 C SER A 13 -15.315 1.925 2.973 1.00 0.00 C ATOM 215 O SER A 13 -16.385 2.185 3.485 1.00 0.00 O ATOM 216 CB SER A 13 -13.585 0.430 3.979 1.00 0.00 C ATOM 217 OG SER A 13 -13.272 -0.932 4.239 1.00 0.00 O ATOM 0 H SER A 13 -13.268 0.267 1.475 1.00 0.00 H new ATOM 0 HA SER A 13 -15.533 -0.194 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.715 0.943 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.847 0.938 4.907 1.00 0.00 H new ATOM 0 HG SER A 13 -12.524 -0.981 4.870 1.00 0.00 H new ATOM 223 N ALA A 14 -14.599 2.844 2.383 1.00 0.00 N ATOM 224 CA ALA A 14 -15.081 4.255 2.321 1.00 0.00 C ATOM 225 C ALA A 14 -13.973 5.130 1.724 1.00 0.00 C ATOM 226 O ALA A 14 -14.187 5.866 0.780 1.00 0.00 O ATOM 227 CB ALA A 14 -15.425 4.746 3.737 1.00 0.00 C ATOM 0 H ALA A 14 -13.696 2.677 1.939 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.974 4.315 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.777 5.777 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.206 4.115 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.536 4.695 4.366 1.00 0.00 H new ATOM 233 N SER A 15 -12.791 5.050 2.269 1.00 0.00 N ATOM 234 CA SER A 15 -11.663 5.868 1.741 1.00 0.00 C ATOM 235 C SER A 15 -10.341 5.233 2.171 1.00 0.00 C ATOM 236 O SER A 15 -9.340 5.905 2.327 1.00 0.00 O ATOM 237 CB SER A 15 -11.755 7.288 2.302 1.00 0.00 C ATOM 238 OG SER A 15 -12.866 7.953 1.714 1.00 0.00 O ATOM 0 H SER A 15 -12.557 4.451 3.061 1.00 0.00 H new ATOM 0 HA SER A 15 -11.715 5.907 0.653 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.867 7.257 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.836 7.835 2.092 1.00 0.00 H new ATOM 0 HG SER A 15 -13.278 7.370 1.043 1.00 0.00 H new ATOM 244 N LEU A 16 -10.335 3.939 2.367 1.00 0.00 N ATOM 245 CA LEU A 16 -9.085 3.234 2.793 1.00 0.00 C ATOM 246 C LEU A 16 -8.927 1.952 1.975 1.00 0.00 C ATOM 247 O LEU A 16 -9.796 1.103 1.965 1.00 0.00 O ATOM 248 CB LEU A 16 -9.187 2.864 4.277 1.00 0.00 C ATOM 249 CG LEU A 16 -9.119 4.130 5.153 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.773 3.851 6.510 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.657 4.540 5.383 1.00 0.00 C ATOM 0 H LEU A 16 -11.148 3.335 2.250 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.228 3.888 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.122 2.335 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.378 2.185 4.545 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.645 4.936 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.724 4.747 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.815 3.570 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.245 3.037 7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.624 5.436 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.127 3.731 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.181 4.745 4.424 1.00 0.00 H new ATOM 263 N CYS A 17 -7.815 1.800 1.299 1.00 0.00 N ATOM 264 CA CYS A 17 -7.576 0.568 0.488 1.00 0.00 C ATOM 265 C CYS A 17 -6.506 -0.263 1.186 1.00 0.00 C ATOM 266 O CYS A 17 -5.611 0.274 1.799 1.00 0.00 O ATOM 267 CB CYS A 17 -7.082 0.965 -0.904 1.00 0.00 C ATOM 268 SG CYS A 17 -8.353 1.952 -1.732 1.00 0.00 S ATOM 0 H CYS A 17 -7.057 2.482 1.275 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.498 -0.006 0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.157 1.536 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.858 0.074 -1.491 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.051 3.213 -1.641 1.00 0.00 H new ATOM 274 N ARG A 18 -6.588 -1.564 1.110 1.00 0.00 N ATOM 275 CA ARG A 18 -5.562 -2.423 1.782 1.00 0.00 C ATOM 276 C ARG A 18 -4.583 -2.949 0.736 1.00 0.00 C ATOM 277 O ARG A 18 -4.951 -3.218 -0.390 1.00 0.00 O ATOM 278 CB ARG A 18 -6.256 -3.601 2.469 1.00 0.00 C ATOM 279 CG ARG A 18 -7.141 -3.080 3.603 1.00 0.00 C ATOM 280 CD ARG A 18 -7.611 -4.254 4.465 1.00 0.00 C ATOM 281 NE ARG A 18 -8.617 -3.773 5.453 1.00 0.00 N ATOM 282 CZ ARG A 18 -9.853 -3.577 5.082 1.00 0.00 C ATOM 283 NH1 ARG A 18 -10.207 -3.802 3.847 1.00 0.00 N ATOM 284 NH2 ARG A 18 -10.735 -3.157 5.947 1.00 0.00 N ATOM 0 H ARG A 18 -7.319 -2.072 0.613 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.022 -1.836 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.858 -4.153 1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.514 -4.295 2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.587 -2.367 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.000 -2.549 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.046 -5.030 3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.763 -4.702 4.982 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.340 -3.597 6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.518 -4.131 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.173 -3.649 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.459 -2.982 6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.701 -3.004 5.657 1.00 0.00 H new ATOM 298 N VAL A 19 -3.333 -3.091 1.097 1.00 0.00 N ATOM 299 CA VAL A 19 -2.317 -3.594 0.120 1.00 0.00 C ATOM 300 C VAL A 19 -1.365 -4.574 0.805 1.00 0.00 C ATOM 301 O VAL A 19 -0.871 -4.324 1.887 1.00 0.00 O ATOM 302 CB VAL A 19 -1.503 -2.415 -0.425 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.448 -1.330 -0.943 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.625 -1.834 0.689 1.00 0.00 C ATOM 0 H VAL A 19 -2.971 -2.880 2.027 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.836 -4.101 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.871 -2.765 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.865 -0.494 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.069 -1.739 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.085 -0.983 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.048 -0.996 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.257 -1.489 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.055 -2.603 1.055 1.00 0.00 H new ATOM 314 N VAL A 20 -1.081 -5.677 0.167 1.00 0.00 N ATOM 315 CA VAL A 20 -0.131 -6.665 0.755 1.00 0.00 C ATOM 316 C VAL A 20 1.246 -6.419 0.136 1.00 0.00 C ATOM 317 O VAL A 20 1.438 -6.598 -1.049 1.00 0.00 O ATOM 318 CB VAL A 20 -0.592 -8.088 0.428 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.260 -9.091 1.209 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.060 -8.251 0.825 1.00 0.00 C ATOM 0 H VAL A 20 -1.468 -5.938 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.091 -6.551 1.838 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.481 -8.270 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.067 -10.105 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.307 -8.975 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.148 -8.909 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.389 -9.264 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.170 -8.070 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.668 -7.536 0.271 1.00 0.00 H new ATOM 330 N LEU A 21 2.203 -5.991 0.918 1.00 0.00 N ATOM 331 CA LEU A 21 3.560 -5.712 0.356 1.00 0.00 C ATOM 332 C LEU A 21 4.468 -6.926 0.561 1.00 0.00 C ATOM 333 O LEU A 21 4.669 -7.386 1.668 1.00 0.00 O ATOM 334 CB LEU A 21 4.169 -4.504 1.074 1.00 0.00 C ATOM 335 CG LEU A 21 3.136 -3.377 1.161 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.756 -2.176 1.877 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.702 -2.964 -0.251 1.00 0.00 C ATOM 0 H LEU A 21 2.105 -5.823 1.919 1.00 0.00 H new ATOM 0 HA LEU A 21 3.469 -5.503 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.494 -4.790 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.053 -4.159 0.538 1.00 0.00 H new ATOM 0 HG LEU A 21 2.266 -3.725 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.023 -1.372 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.061 -2.469 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.627 -1.830 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.967 -2.162 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.570 -2.616 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.260 -3.820 -0.761 1.00 0.00 H new ATOM 349 N GLN A 22 5.016 -7.445 -0.509 1.00 0.00 N ATOM 350 CA GLN A 22 5.920 -8.633 -0.413 1.00 0.00 C ATOM 351 C GLN A 22 7.368 -8.183 -0.608 1.00 0.00 C ATOM 352 O GLN A 22 7.651 -7.284 -1.378 1.00 0.00 O ATOM 353 CB GLN A 22 5.547 -9.639 -1.505 1.00 0.00 C ATOM 354 CG GLN A 22 6.555 -10.790 -1.509 1.00 0.00 C ATOM 355 CD GLN A 22 6.014 -11.941 -2.358 1.00 0.00 C ATOM 356 OE1 GLN A 22 6.607 -12.307 -3.355 1.00 0.00 O ATOM 357 NE2 GLN A 22 4.905 -12.531 -2.005 1.00 0.00 N ATOM 0 H GLN A 22 4.874 -7.092 -1.456 1.00 0.00 H new ATOM 0 HA GLN A 22 5.813 -9.100 0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.542 -10.023 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.537 -9.148 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.511 -10.449 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.738 -11.131 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.408 -12.224 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.535 -13.299 -2.565 1.00 0.00 H new ATOM 366 N SER A 23 8.290 -8.800 0.086 1.00 0.00 N ATOM 367 CA SER A 23 9.727 -8.411 -0.053 1.00 0.00 C ATOM 368 C SER A 23 10.612 -9.657 0.033 1.00 0.00 C ATOM 369 O SER A 23 10.783 -10.237 1.087 1.00 0.00 O ATOM 370 CB SER A 23 10.102 -7.445 1.071 1.00 0.00 C ATOM 371 OG SER A 23 9.483 -6.187 0.834 1.00 0.00 O ATOM 0 H SER A 23 8.110 -9.558 0.744 1.00 0.00 H new ATOM 0 HA SER A 23 9.877 -7.928 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.782 -7.846 2.033 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.185 -7.327 1.119 1.00 0.00 H new ATOM 0 HG SER A 23 9.107 -5.844 1.672 1.00 0.00 H new ATOM 377 N GLY A 24 11.182 -10.067 -1.068 1.00 0.00 N ATOM 378 CA GLY A 24 12.064 -11.270 -1.052 1.00 0.00 C ATOM 379 C GLY A 24 11.214 -12.530 -0.886 1.00 0.00 C ATOM 380 O GLY A 24 11.296 -13.454 -1.671 1.00 0.00 O ATOM 0 H GLY A 24 11.075 -9.621 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.637 -11.325 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.783 -11.195 -0.236 1.00 0.00 H new ATOM 384 N ALA A 25 10.398 -12.575 0.130 1.00 0.00 N ATOM 385 CA ALA A 25 9.544 -13.776 0.348 1.00 0.00 C ATOM 386 C ALA A 25 8.547 -13.493 1.473 1.00 0.00 C ATOM 387 O ALA A 25 7.444 -14.003 1.481 1.00 0.00 O ATOM 388 CB ALA A 25 10.425 -14.965 0.735 1.00 0.00 C ATOM 0 H ALA A 25 10.285 -11.832 0.819 1.00 0.00 H new ATOM 0 HA ALA A 25 9.002 -14.009 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.800 -15.844 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.137 -15.166 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.966 -14.733 1.652 1.00 0.00 H new ATOM 394 N LEU A 26 8.924 -12.680 2.422 1.00 0.00 N ATOM 395 CA LEU A 26 7.996 -12.362 3.542 1.00 0.00 C ATOM 396 C LEU A 26 6.810 -11.561 3.002 1.00 0.00 C ATOM 397 O LEU A 26 6.800 -11.151 1.858 1.00 0.00 O ATOM 398 CB LEU A 26 8.733 -11.538 4.601 1.00 0.00 C ATOM 399 CG LEU A 26 10.118 -12.141 4.852 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.808 -11.377 5.984 1.00 0.00 C ATOM 401 CD2 LEU A 26 9.972 -13.616 5.245 1.00 0.00 C ATOM 0 H LEU A 26 9.835 -12.223 2.469 1.00 0.00 H new ATOM 0 HA LEU A 26 7.637 -13.287 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.830 -10.504 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.159 -11.522 5.528 1.00 0.00 H new ATOM 0 HG LEU A 26 10.717 -12.066 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.794 -11.805 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.913 -10.329 5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.209 -11.452 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.958 -14.044 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.373 -13.693 6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.480 -14.160 4.439 1.00 0.00 H new ATOM 413 N GLU A 27 5.811 -11.334 3.814 1.00 0.00 N ATOM 414 CA GLU A 27 4.619 -10.557 3.352 1.00 0.00 C ATOM 415 C GLU A 27 4.151 -9.630 4.474 1.00 0.00 C ATOM 416 O GLU A 27 4.409 -9.866 5.637 1.00 0.00 O ATOM 417 CB GLU A 27 3.490 -11.523 2.986 1.00 0.00 C ATOM 418 CG GLU A 27 4.041 -12.642 2.101 1.00 0.00 C ATOM 419 CD GLU A 27 2.881 -13.458 1.528 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.856 -12.866 1.233 1.00 0.00 O ATOM 421 OE2 GLU A 27 3.037 -14.661 1.396 1.00 0.00 O ATOM 0 H GLU A 27 5.768 -11.654 4.782 1.00 0.00 H new ATOM 0 HA GLU A 27 4.888 -9.965 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.050 -11.944 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.696 -10.990 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.637 -12.220 1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.702 -13.287 2.681 1.00 0.00 H new ATOM 428 N MET A 28 3.464 -8.572 4.132 1.00 0.00 N ATOM 429 CA MET A 28 2.978 -7.622 5.175 1.00 0.00 C ATOM 430 C MET A 28 1.680 -6.963 4.701 1.00 0.00 C ATOM 431 O MET A 28 1.523 -6.653 3.538 1.00 0.00 O ATOM 432 CB MET A 28 4.037 -6.541 5.410 1.00 0.00 C ATOM 433 CG MET A 28 5.325 -7.188 5.921 1.00 0.00 C ATOM 434 SD MET A 28 6.434 -5.905 6.555 1.00 0.00 S ATOM 435 CE MET A 28 7.884 -6.959 6.799 1.00 0.00 C ATOM 0 H MET A 28 3.218 -8.325 3.173 1.00 0.00 H new ATOM 0 HA MET A 28 2.794 -8.164 6.103 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.232 -6.001 4.483 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.673 -5.812 6.133 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.096 -7.907 6.707 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.812 -7.739 5.117 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.706 -6.361 7.193 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.642 -7.753 7.505 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.179 -7.398 5.846 1.00 0.00 H new ATOM 445 N ILE A 29 0.755 -6.736 5.601 1.00 0.00 N ATOM 446 CA ILE A 29 -0.540 -6.083 5.225 1.00 0.00 C ATOM 447 C ILE A 29 -0.535 -4.658 5.773 1.00 0.00 C ATOM 448 O ILE A 29 -0.046 -4.409 6.857 1.00 0.00 O ATOM 449 CB ILE A 29 -1.707 -6.865 5.843 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.833 -8.221 5.146 1.00 0.00 C ATOM 451 CG2 ILE A 29 -3.009 -6.079 5.661 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.806 -9.108 5.927 1.00 0.00 C ATOM 0 H ILE A 29 0.841 -6.977 6.588 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.655 -6.070 4.141 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.520 -7.013 6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.188 -8.085 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.857 -8.702 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.835 -6.637 6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.922 -5.111 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.198 -5.929 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.896 -10.074 5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.432 -9.254 6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.784 -8.628 5.967 1.00 0.00 H new ATOM 464 N ALA A 30 -1.059 -3.712 5.037 1.00 0.00 N ATOM 465 CA ALA A 30 -1.056 -2.306 5.538 1.00 0.00 C ATOM 466 C ALA A 30 -2.286 -1.551 5.040 1.00 0.00 C ATOM 467 O ALA A 30 -2.742 -1.740 3.930 1.00 0.00 O ATOM 468 CB ALA A 30 0.211 -1.607 5.042 1.00 0.00 C ATOM 0 H ALA A 30 -1.485 -3.850 4.120 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.079 -2.316 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.224 -0.578 5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.088 -2.134 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.225 -1.610 3.952 1.00 0.00 H new ATOM 474 N GLU A 31 -2.814 -0.677 5.858 1.00 0.00 N ATOM 475 CA GLU A 31 -4.005 0.119 5.440 1.00 0.00 C ATOM 476 C GLU A 31 -3.514 1.348 4.671 1.00 0.00 C ATOM 477 O GLU A 31 -2.696 2.108 5.154 1.00 0.00 O ATOM 478 CB GLU A 31 -4.791 0.556 6.684 1.00 0.00 C ATOM 479 CG GLU A 31 -5.704 -0.584 7.148 1.00 0.00 C ATOM 480 CD GLU A 31 -6.179 -0.311 8.578 1.00 0.00 C ATOM 481 OE1 GLU A 31 -5.425 -0.590 9.494 1.00 0.00 O ATOM 482 OE2 GLU A 31 -7.289 0.173 8.729 1.00 0.00 O ATOM 0 H GLU A 31 -2.471 -0.481 6.798 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.660 -0.479 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.102 0.831 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.385 1.441 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.561 -0.672 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.168 -1.532 7.107 1.00 0.00 H new ATOM 489 N ILE A 32 -3.992 1.529 3.468 1.00 0.00 N ATOM 490 CA ILE A 32 -3.551 2.683 2.621 1.00 0.00 C ATOM 491 C ILE A 32 -4.713 3.668 2.431 1.00 0.00 C ATOM 492 O ILE A 32 -5.866 3.290 2.376 1.00 0.00 O ATOM 493 CB ILE A 32 -3.083 2.124 1.258 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.597 1.735 1.331 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.268 3.156 0.140 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.331 0.861 2.561 1.00 0.00 C ATOM 0 H ILE A 32 -4.680 0.918 3.028 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.733 3.219 3.102 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.691 1.248 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.311 1.198 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.982 2.633 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.930 2.733 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.322 3.423 0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.684 4.048 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.275 0.595 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.597 1.412 3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.932 -0.046 2.499 1.00 0.00 H new ATOM 508 N GLU A 33 -4.393 4.934 2.318 1.00 0.00 N ATOM 509 CA GLU A 33 -5.436 5.986 2.116 1.00 0.00 C ATOM 510 C GLU A 33 -5.206 6.656 0.757 1.00 0.00 C ATOM 511 O GLU A 33 -4.285 7.432 0.590 1.00 0.00 O ATOM 512 CB GLU A 33 -5.304 7.035 3.224 1.00 0.00 C ATOM 513 CG GLU A 33 -6.568 7.897 3.269 1.00 0.00 C ATOM 514 CD GLU A 33 -6.447 8.921 4.399 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.490 9.677 4.387 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.314 8.932 5.257 1.00 0.00 O ATOM 0 H GLU A 33 -3.437 5.288 2.358 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.430 5.540 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.151 6.545 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.431 7.662 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.708 8.406 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.444 7.268 3.426 1.00 0.00 H new ATOM 523 N ALA A 34 -6.026 6.365 -0.219 1.00 0.00 N ATOM 524 CA ALA A 34 -5.834 6.992 -1.561 1.00 0.00 C ATOM 525 C ALA A 34 -7.169 7.045 -2.305 1.00 0.00 C ATOM 526 O ALA A 34 -8.204 6.689 -1.777 1.00 0.00 O ATOM 527 CB ALA A 34 -4.836 6.162 -2.374 1.00 0.00 C ATOM 0 H ALA A 34 -6.816 5.724 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.452 8.005 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.695 6.619 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.881 6.126 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.220 5.150 -2.498 1.00 0.00 H new ATOM 533 N CYS A 35 -7.148 7.486 -3.535 1.00 0.00 N ATOM 534 CA CYS A 35 -8.406 7.569 -4.336 1.00 0.00 C ATOM 535 C CYS A 35 -8.092 7.217 -5.790 1.00 0.00 C ATOM 536 O CYS A 35 -8.977 7.001 -6.594 1.00 0.00 O ATOM 537 CB CYS A 35 -8.966 8.991 -4.264 1.00 0.00 C ATOM 538 SG CYS A 35 -9.618 9.300 -2.604 1.00 0.00 S ATOM 0 H CYS A 35 -6.307 7.795 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.144 6.872 -3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.184 9.713 -4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.754 9.121 -5.006 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.368 8.277 -1.842 1.00 0.00 H new ATOM 544 N ARG A 36 -6.834 7.155 -6.133 1.00 0.00 N ATOM 545 CA ARG A 36 -6.458 6.813 -7.533 1.00 0.00 C ATOM 546 C ARG A 36 -6.744 5.332 -7.783 1.00 0.00 C ATOM 547 O ARG A 36 -7.172 4.944 -8.852 1.00 0.00 O ATOM 548 CB ARG A 36 -4.967 7.090 -7.744 1.00 0.00 C ATOM 549 CG ARG A 36 -4.657 8.538 -7.363 1.00 0.00 C ATOM 550 CD ARG A 36 -3.181 8.834 -7.637 1.00 0.00 C ATOM 551 NE ARG A 36 -2.877 10.242 -7.257 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.695 10.555 -6.004 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.779 9.635 -5.082 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.428 11.789 -5.671 1.00 0.00 N ATOM 0 H ARG A 36 -6.050 7.327 -5.503 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.039 7.420 -8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.370 6.408 -7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.697 6.911 -8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.287 9.219 -7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.883 8.704 -6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.551 8.149 -7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.957 8.674 -8.692 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.811 10.962 -7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.987 8.671 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.637 9.880 -4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.362 12.509 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.286 12.033 -4.691 1.00 0.00 H new ATOM 568 N LEU A 37 -6.515 4.500 -6.799 1.00 0.00 N ATOM 569 CA LEU A 37 -6.778 3.044 -6.970 1.00 0.00 C ATOM 570 C LEU A 37 -6.211 2.569 -8.310 1.00 0.00 C ATOM 571 O LEU A 37 -6.764 1.704 -8.959 1.00 0.00 O ATOM 572 CB LEU A 37 -8.287 2.806 -6.924 1.00 0.00 C ATOM 573 CG LEU A 37 -8.904 3.663 -5.815 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.386 3.314 -5.662 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.178 3.393 -4.493 1.00 0.00 C ATOM 0 H LEU A 37 -6.156 4.770 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.295 2.483 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.735 3.058 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.495 1.752 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.804 4.717 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.824 3.925 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.904 3.509 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.487 2.260 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.618 4.004 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.276 2.339 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.123 3.644 -4.600 1.00 0.00 H new ATOM 587 N ARG A 38 -5.110 3.135 -8.729 1.00 0.00 N ATOM 588 CA ARG A 38 -4.495 2.729 -10.030 1.00 0.00 C ATOM 589 C ARG A 38 -3.441 1.643 -9.779 1.00 0.00 C ATOM 590 O ARG A 38 -2.758 1.205 -10.683 1.00 0.00 O ATOM 591 CB ARG A 38 -3.836 3.957 -10.676 1.00 0.00 C ATOM 592 CG ARG A 38 -3.674 3.737 -12.183 1.00 0.00 C ATOM 593 CD ARG A 38 -2.733 4.798 -12.754 1.00 0.00 C ATOM 594 NE ARG A 38 -2.825 4.796 -14.242 1.00 0.00 N ATOM 595 CZ ARG A 38 -2.450 5.847 -14.920 1.00 0.00 C ATOM 596 NH1 ARG A 38 -1.996 6.898 -14.296 1.00 0.00 N ATOM 597 NH2 ARG A 38 -2.529 5.844 -16.222 1.00 0.00 N ATOM 0 H ARG A 38 -4.607 3.865 -8.224 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.261 2.334 -10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.444 4.843 -10.493 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.862 4.138 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.276 2.741 -12.375 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.645 3.793 -12.676 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.997 5.781 -12.364 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.708 4.596 -12.442 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.181 3.974 -14.730 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.934 6.899 -13.278 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.703 7.719 -14.826 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.883 5.021 -16.710 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.236 6.665 -16.753 1.00 0.00 H new ATOM 611 N LEU A 39 -3.302 1.209 -8.558 1.00 0.00 N ATOM 612 CA LEU A 39 -2.291 0.156 -8.252 1.00 0.00 C ATOM 613 C LEU A 39 -2.716 -1.161 -8.904 1.00 0.00 C ATOM 614 O LEU A 39 -3.839 -1.317 -9.339 1.00 0.00 O ATOM 615 CB LEU A 39 -2.190 -0.028 -6.734 1.00 0.00 C ATOM 616 CG LEU A 39 -1.359 1.105 -6.127 1.00 0.00 C ATOM 617 CD1 LEU A 39 -1.931 2.457 -6.565 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.403 1.003 -4.601 1.00 0.00 C ATOM 0 H LEU A 39 -3.844 1.537 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.319 0.456 -8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.187 -0.037 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.732 -0.990 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.328 1.022 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.337 3.261 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.901 2.530 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.963 2.543 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.812 1.809 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.435 1.085 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.993 0.043 -4.289 1.00 0.00 H new ATOM 630 N ARG A 40 -1.824 -2.111 -8.974 1.00 0.00 N ATOM 631 CA ARG A 40 -2.173 -3.420 -9.596 1.00 0.00 C ATOM 632 C ARG A 40 -1.210 -4.497 -9.090 1.00 0.00 C ATOM 633 O ARG A 40 -0.179 -4.203 -8.520 1.00 0.00 O ATOM 634 CB ARG A 40 -2.058 -3.305 -11.119 1.00 0.00 C ATOM 635 CG ARG A 40 -2.546 -4.601 -11.773 1.00 0.00 C ATOM 636 CD ARG A 40 -2.803 -4.359 -13.262 1.00 0.00 C ATOM 637 NE ARG A 40 -3.025 -5.664 -13.947 1.00 0.00 N ATOM 638 CZ ARG A 40 -3.224 -5.699 -15.236 1.00 0.00 C ATOM 639 NH1 ARG A 40 -3.227 -4.591 -15.927 1.00 0.00 N ATOM 640 NH2 ARG A 40 -3.418 -6.842 -15.836 1.00 0.00 N ATOM 0 H ARG A 40 -0.868 -2.037 -8.627 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.194 -3.692 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.649 -2.462 -11.475 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.023 -3.111 -11.402 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.802 -5.387 -11.645 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.459 -4.944 -11.287 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.673 -3.715 -13.392 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.954 -3.841 -13.709 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.021 -6.530 -13.408 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.074 -3.698 -15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.383 -4.619 -16.935 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.414 -7.708 -15.297 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.574 -6.869 -16.844 1.00 0.00 H new ATOM 654 N GLU A 41 -1.538 -5.742 -9.294 1.00 0.00 N ATOM 655 CA GLU A 41 -0.644 -6.837 -8.823 1.00 0.00 C ATOM 656 C GLU A 41 0.710 -6.735 -9.532 1.00 0.00 C ATOM 657 O GLU A 41 0.782 -6.646 -10.742 1.00 0.00 O ATOM 658 CB GLU A 41 -1.284 -8.189 -9.142 1.00 0.00 C ATOM 659 CG GLU A 41 -2.606 -8.320 -8.382 1.00 0.00 C ATOM 660 CD GLU A 41 -3.348 -9.569 -8.860 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.583 -9.676 -10.052 1.00 0.00 O ATOM 662 OE2 GLU A 41 -3.669 -10.399 -8.024 1.00 0.00 O ATOM 0 H GLU A 41 -2.388 -6.049 -9.767 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.497 -6.747 -7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.459 -8.277 -10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.609 -8.998 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.417 -8.384 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.220 -7.435 -8.545 1.00 0.00 H new ATOM 669 N GLY A 42 1.784 -6.753 -8.787 1.00 0.00 N ATOM 670 CA GLY A 42 3.139 -6.664 -9.413 1.00 0.00 C ATOM 671 C GLY A 42 3.585 -5.201 -9.486 1.00 0.00 C ATOM 672 O GLY A 42 4.529 -4.867 -10.173 1.00 0.00 O ATOM 0 H GLY A 42 1.782 -6.826 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.856 -7.243 -8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.116 -7.096 -10.413 1.00 0.00 H new ATOM 676 N ASP A 43 2.916 -4.326 -8.786 1.00 0.00 N ATOM 677 CA ASP A 43 3.312 -2.889 -8.821 1.00 0.00 C ATOM 678 C ASP A 43 4.639 -2.706 -8.082 1.00 0.00 C ATOM 679 O ASP A 43 4.832 -3.218 -6.995 1.00 0.00 O ATOM 680 CB ASP A 43 2.233 -2.040 -8.145 1.00 0.00 C ATOM 681 CG ASP A 43 2.460 -0.565 -8.480 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.448 -0.271 -9.133 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.642 0.246 -8.079 1.00 0.00 O ATOM 0 H ASP A 43 2.115 -4.543 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 43 3.425 -2.573 -9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.245 -2.353 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.263 -2.187 -7.065 1.00 0.00 H new ATOM 688 N LYS A 44 5.556 -1.977 -8.664 1.00 0.00 N ATOM 689 CA LYS A 44 6.878 -1.749 -8.005 1.00 0.00 C ATOM 690 C LYS A 44 6.842 -0.426 -7.238 1.00 0.00 C ATOM 691 O LYS A 44 6.803 0.641 -7.822 1.00 0.00 O ATOM 692 CB LYS A 44 7.973 -1.686 -9.073 1.00 0.00 C ATOM 693 CG LYS A 44 7.922 -2.950 -9.933 1.00 0.00 C ATOM 694 CD LYS A 44 9.021 -2.890 -10.996 1.00 0.00 C ATOM 695 CE LYS A 44 8.891 -4.092 -11.933 1.00 0.00 C ATOM 696 NZ LYS A 44 9.832 -3.933 -13.078 1.00 0.00 N ATOM 0 H LYS A 44 5.446 -1.527 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 44 7.087 -2.566 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.836 -0.803 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.951 -1.594 -8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.054 -3.833 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.946 -3.039 -10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.942 -1.963 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.002 -2.890 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.111 -5.013 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.867 -4.173 -12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.744 -4.750 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.602 -3.062 -13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.807 -3.876 -12.721 1.00 0.00 H new ATOM 710 N LEU A 45 6.852 -0.489 -5.929 1.00 0.00 N ATOM 711 CA LEU A 45 6.814 0.760 -5.105 1.00 0.00 C ATOM 712 C LEU A 45 8.225 1.086 -4.601 1.00 0.00 C ATOM 713 O LEU A 45 8.773 0.389 -3.772 1.00 0.00 O ATOM 714 CB LEU A 45 5.884 0.550 -3.903 1.00 0.00 C ATOM 715 CG LEU A 45 4.642 -0.231 -4.338 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.686 -0.369 -3.152 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.941 0.519 -5.471 1.00 0.00 C ATOM 0 H LEU A 45 6.885 -1.356 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 45 6.445 1.584 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.409 0.008 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.591 1.513 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 45 4.938 -1.221 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.801 -0.925 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.185 -0.902 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.390 0.621 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.056 -0.036 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.645 1.509 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.622 0.620 -6.316 1.00 0.00 H new ATOM 729 N THR A 46 8.813 2.145 -5.091 1.00 0.00 N ATOM 730 CA THR A 46 10.183 2.521 -4.636 1.00 0.00 C ATOM 731 C THR A 46 10.064 3.391 -3.375 1.00 0.00 C ATOM 732 O THR A 46 9.083 4.085 -3.198 1.00 0.00 O ATOM 733 CB THR A 46 10.879 3.321 -5.743 1.00 0.00 C ATOM 734 OG1 THR A 46 10.542 4.695 -5.614 1.00 0.00 O ATOM 735 CG2 THR A 46 10.425 2.810 -7.112 1.00 0.00 C ATOM 0 H THR A 46 8.403 2.767 -5.788 1.00 0.00 H new ATOM 0 HA THR A 46 10.763 1.625 -4.415 1.00 0.00 H new ATOM 0 HB THR A 46 11.958 3.199 -5.654 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.987 5.209 -6.320 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.922 3.381 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.684 1.756 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.345 2.929 -7.205 1.00 0.00 H new ATOM 743 N PRO A 47 11.044 3.361 -2.501 1.00 0.00 N ATOM 744 CA PRO A 47 11.014 4.173 -1.245 1.00 0.00 C ATOM 745 C PRO A 47 11.235 5.666 -1.521 1.00 0.00 C ATOM 746 O PRO A 47 12.149 6.048 -2.224 1.00 0.00 O ATOM 747 CB PRO A 47 12.166 3.589 -0.415 1.00 0.00 C ATOM 748 CG PRO A 47 13.131 3.061 -1.427 1.00 0.00 C ATOM 749 CD PRO A 47 12.281 2.563 -2.601 1.00 0.00 C ATOM 0 HA PRO A 47 10.050 4.120 -0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.628 4.351 0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.815 2.798 0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.823 3.839 -1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.731 2.253 -1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.784 2.722 -3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.076 1.495 -2.522 1.00 0.00 H new ATOM 757 N LEU A 48 10.406 6.512 -0.969 1.00 0.00 N ATOM 758 CA LEU A 48 10.572 7.975 -1.199 1.00 0.00 C ATOM 759 C LEU A 48 11.661 8.513 -0.267 1.00 0.00 C ATOM 760 O LEU A 48 12.750 8.841 -0.694 1.00 0.00 O ATOM 761 CB LEU A 48 9.242 8.688 -0.914 1.00 0.00 C ATOM 762 CG LEU A 48 9.438 10.211 -0.897 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.200 10.658 -2.149 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.067 10.893 -0.864 1.00 0.00 C ATOM 0 H LEU A 48 9.622 6.253 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 48 10.862 8.156 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.509 8.419 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.844 8.356 0.045 1.00 0.00 H new ATOM 0 HG LEU A 48 10.013 10.490 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.334 11.740 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.176 10.172 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.634 10.380 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.199 11.975 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.497 10.607 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.528 10.583 0.031 1.00 0.00 H new ATOM 776 N ALA A 49 11.374 8.605 1.003 1.00 0.00 N ATOM 777 CA ALA A 49 12.393 9.121 1.959 1.00 0.00 C ATOM 778 C ALA A 49 11.871 8.977 3.390 1.00 0.00 C ATOM 779 O ALA A 49 12.503 8.371 4.233 1.00 0.00 O ATOM 780 CB ALA A 49 12.669 10.597 1.664 1.00 0.00 C ATOM 0 H ALA A 49 10.479 8.346 1.419 1.00 0.00 H new ATOM 0 HA ALA A 49 13.315 8.549 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.415 10.975 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.042 10.701 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.747 11.168 1.773 1.00 0.00 H new ATOM 786 N ASP A 50 10.722 9.529 3.672 1.00 0.00 N ATOM 787 CA ASP A 50 10.162 9.423 5.051 1.00 0.00 C ATOM 788 C ASP A 50 9.453 8.077 5.216 1.00 0.00 C ATOM 789 O ASP A 50 9.640 7.384 6.197 1.00 0.00 O ATOM 790 CB ASP A 50 9.160 10.556 5.281 1.00 0.00 C ATOM 791 CG ASP A 50 9.826 11.898 4.971 1.00 0.00 C ATOM 792 OD1 ASP A 50 10.572 12.375 5.811 1.00 0.00 O ATOM 793 OD2 ASP A 50 9.580 12.426 3.900 1.00 0.00 O ATOM 0 H ASP A 50 10.147 10.048 3.008 1.00 0.00 H new ATOM 0 HA ASP A 50 10.972 9.497 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.285 10.417 4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.810 10.542 6.313 1.00 0.00 H new ATOM 798 N ALA A 51 8.643 7.700 4.264 1.00 0.00 N ATOM 799 CA ALA A 51 7.925 6.397 4.370 1.00 0.00 C ATOM 800 C ALA A 51 7.107 6.159 3.099 1.00 0.00 C ATOM 801 O ALA A 51 7.053 5.062 2.581 1.00 0.00 O ATOM 802 CB ALA A 51 6.988 6.425 5.580 1.00 0.00 C ATOM 0 H ALA A 51 8.447 8.237 3.419 1.00 0.00 H new ATOM 0 HA ALA A 51 8.651 5.593 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.464 5.472 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.569 6.593 6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.263 7.230 5.460 1.00 0.00 H new ATOM 808 N ARG A 52 6.466 7.178 2.594 1.00 0.00 N ATOM 809 CA ARG A 52 5.651 7.006 1.358 1.00 0.00 C ATOM 810 C ARG A 52 6.494 6.307 0.291 1.00 0.00 C ATOM 811 O ARG A 52 7.708 6.334 0.338 1.00 0.00 O ATOM 812 CB ARG A 52 5.210 8.377 0.842 1.00 0.00 C ATOM 813 CG ARG A 52 4.525 9.153 1.969 1.00 0.00 C ATOM 814 CD ARG A 52 4.097 10.529 1.456 1.00 0.00 C ATOM 815 NE ARG A 52 3.771 11.411 2.613 1.00 0.00 N ATOM 816 CZ ARG A 52 4.732 11.979 3.290 1.00 0.00 C ATOM 817 NH1 ARG A 52 5.977 11.774 2.956 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.448 12.751 4.303 1.00 0.00 N ATOM 0 H ARG A 52 6.471 8.121 2.983 1.00 0.00 H new ATOM 0 HA ARG A 52 4.771 6.403 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.073 8.934 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.527 8.258 0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.657 8.601 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.205 9.264 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.896 10.972 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.230 10.432 0.803 1.00 0.00 H new ATOM 0 HE ARG A 52 2.798 11.570 2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.200 11.169 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.727 12.218 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.475 12.911 4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.199 13.195 4.832 1.00 0.00 H new ATOM 832 N TYR A 53 5.859 5.679 -0.669 1.00 0.00 N ATOM 833 CA TYR A 53 6.614 4.969 -1.751 1.00 0.00 C ATOM 834 C TYR A 53 6.146 5.477 -3.116 1.00 0.00 C ATOM 835 O TYR A 53 4.984 5.771 -3.315 1.00 0.00 O ATOM 836 CB TYR A 53 6.351 3.466 -1.652 1.00 0.00 C ATOM 837 CG TYR A 53 6.628 2.996 -0.244 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.670 3.187 0.759 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.841 2.366 0.059 1.00 0.00 C ATOM 840 CE1 TYR A 53 5.926 2.751 2.064 1.00 0.00 C ATOM 841 CE2 TYR A 53 8.098 1.930 1.365 1.00 0.00 C ATOM 842 CZ TYR A 53 7.140 2.122 2.367 1.00 0.00 C ATOM 843 OH TYR A 53 7.391 1.691 3.654 1.00 0.00 O ATOM 0 H TYR A 53 4.844 5.627 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 53 7.681 5.161 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.318 3.249 -1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.985 2.928 -2.357 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.733 3.671 0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.579 2.216 -0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.187 2.900 2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.035 1.446 1.599 1.00 0.00 H new ATOM 0 HH TYR A 53 8.278 1.275 3.693 1.00 0.00 H new ATOM 853 N CYS A 54 7.047 5.580 -4.059 1.00 0.00 N ATOM 854 CA CYS A 54 6.671 6.067 -5.422 1.00 0.00 C ATOM 855 C CYS A 54 6.532 4.869 -6.362 1.00 0.00 C ATOM 856 O CYS A 54 7.419 4.046 -6.465 1.00 0.00 O ATOM 857 CB CYS A 54 7.766 6.997 -5.947 1.00 0.00 C ATOM 858 SG CYS A 54 8.184 8.216 -4.676 1.00 0.00 S ATOM 0 H CYS A 54 8.033 5.346 -3.943 1.00 0.00 H new ATOM 0 HA CYS A 54 5.726 6.607 -5.372 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.650 6.419 -6.217 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.427 7.501 -6.852 1.00 0.00 H new ATOM 0 HG CYS A 54 9.116 9.005 -5.121 1.00 0.00 H new ATOM 864 N LEU A 55 5.428 4.762 -7.051 1.00 0.00 N ATOM 865 CA LEU A 55 5.239 3.612 -7.986 1.00 0.00 C ATOM 866 C LEU A 55 5.749 3.996 -9.374 1.00 0.00 C ATOM 867 O LEU A 55 5.665 5.137 -9.781 1.00 0.00 O ATOM 868 CB LEU A 55 3.747 3.245 -8.060 1.00 0.00 C ATOM 869 CG LEU A 55 2.892 4.483 -8.448 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.583 4.477 -9.952 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.563 4.463 -7.676 1.00 0.00 C ATOM 0 H LEU A 55 4.649 5.419 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 55 5.800 2.751 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.599 2.451 -8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.416 2.856 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 55 3.460 5.379 -8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.983 5.352 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.516 4.502 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.030 3.573 -10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.968 5.334 -7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.013 3.555 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.764 4.486 -6.605 1.00 0.00 H new ATOM 883 N ASN A 56 6.287 3.053 -10.099 1.00 0.00 N ATOM 884 CA ASN A 56 6.807 3.363 -11.462 1.00 0.00 C ATOM 885 C ASN A 56 7.854 4.476 -11.369 1.00 0.00 C ATOM 886 O ASN A 56 8.226 5.073 -12.358 1.00 0.00 O ATOM 887 CB ASN A 56 5.656 3.814 -12.365 1.00 0.00 C ATOM 888 CG ASN A 56 4.480 2.846 -12.221 1.00 0.00 C ATOM 889 OD1 ASN A 56 4.450 2.039 -11.312 1.00 0.00 O ATOM 890 ND2 ASN A 56 3.503 2.892 -13.085 1.00 0.00 N ATOM 0 H ASN A 56 6.389 2.081 -9.807 1.00 0.00 H new ATOM 0 HA ASN A 56 7.265 2.469 -11.885 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.344 4.823 -12.097 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.987 3.848 -13.403 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.714 2.251 -12.998 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.528 3.569 -13.848 1.00 0.00 H new ATOM 897 N ASN A 57 8.333 4.750 -10.186 1.00 0.00 N ATOM 898 CA ASN A 57 9.364 5.815 -10.013 1.00 0.00 C ATOM 899 C ASN A 57 8.782 7.186 -10.382 1.00 0.00 C ATOM 900 O ASN A 57 9.432 7.990 -11.020 1.00 0.00 O ATOM 901 CB ASN A 57 10.577 5.512 -10.904 1.00 0.00 C ATOM 902 CG ASN A 57 10.838 4.005 -10.917 1.00 0.00 C ATOM 903 OD1 ASN A 57 10.197 3.251 -11.770 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 11.632 3.507 -10.146 1.00 0.00 N flip ATOM 0 H ASN A 57 8.053 4.279 -9.326 1.00 0.00 H new ATOM 0 HA ASN A 57 9.676 5.835 -8.969 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.395 5.869 -11.918 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.455 6.041 -10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.133 4.095 -9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.798 2.501 -10.164 1.00 0.00 H new ATOM 911 N ASN A 58 7.564 7.460 -9.976 1.00 0.00 N ATOM 912 CA ASN A 58 6.925 8.778 -10.286 1.00 0.00 C ATOM 913 C ASN A 58 6.487 9.438 -8.965 1.00 0.00 C ATOM 914 O ASN A 58 5.381 9.224 -8.507 1.00 0.00 O ATOM 915 CB ASN A 58 5.696 8.543 -11.170 1.00 0.00 C ATOM 916 CG ASN A 58 6.037 7.529 -12.263 1.00 0.00 C ATOM 917 OD1 ASN A 58 7.189 7.198 -12.462 1.00 0.00 O ATOM 918 ND2 ASN A 58 5.078 7.022 -12.988 1.00 0.00 N ATOM 0 H ASN A 58 6.980 6.820 -9.438 1.00 0.00 H new ATOM 0 HA ASN A 58 7.630 9.425 -10.807 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.866 8.177 -10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.373 9.482 -11.619 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.295 6.348 -13.722 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.111 7.300 -12.821 1.00 0.00 H new ATOM 925 N PRO A 59 7.346 10.222 -8.348 1.00 0.00 N ATOM 926 CA PRO A 59 7.031 10.906 -7.052 1.00 0.00 C ATOM 927 C PRO A 59 5.654 11.585 -7.051 1.00 0.00 C ATOM 928 O PRO A 59 5.215 12.115 -6.050 1.00 0.00 O ATOM 929 CB PRO A 59 8.153 11.941 -6.915 1.00 0.00 C ATOM 930 CG PRO A 59 9.311 11.335 -7.637 1.00 0.00 C ATOM 931 CD PRO A 59 8.711 10.547 -8.807 1.00 0.00 C ATOM 0 HA PRO A 59 6.983 10.199 -6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.867 12.897 -7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.393 12.130 -5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.995 12.105 -7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.883 10.681 -6.979 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.695 11.139 -9.722 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.287 9.646 -9.020 1.00 0.00 H new ATOM 939 N THR A 60 4.971 11.571 -8.162 1.00 0.00 N ATOM 940 CA THR A 60 3.623 12.209 -8.224 1.00 0.00 C ATOM 941 C THR A 60 2.574 11.215 -7.712 1.00 0.00 C ATOM 942 O THR A 60 1.699 11.557 -6.942 1.00 0.00 O ATOM 943 CB THR A 60 3.307 12.579 -9.680 1.00 0.00 C ATOM 944 OG1 THR A 60 1.903 12.520 -9.887 1.00 0.00 O ATOM 945 CG2 THR A 60 4.006 11.594 -10.627 1.00 0.00 C ATOM 0 H THR A 60 5.288 11.144 -9.033 1.00 0.00 H new ATOM 0 HA THR A 60 3.609 13.108 -7.607 1.00 0.00 H new ATOM 0 HB THR A 60 3.664 13.589 -9.883 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.699 12.757 -10.816 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.780 11.859 -11.660 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.083 11.639 -10.468 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.652 10.583 -10.426 1.00 0.00 H new ATOM 953 N GLN A 61 2.665 9.982 -8.137 1.00 0.00 N ATOM 954 CA GLN A 61 1.692 8.939 -7.691 1.00 0.00 C ATOM 955 C GLN A 61 2.280 8.179 -6.499 1.00 0.00 C ATOM 956 O GLN A 61 2.583 7.006 -6.592 1.00 0.00 O ATOM 957 CB GLN A 61 1.415 7.961 -8.841 1.00 0.00 C ATOM 958 CG GLN A 61 1.292 8.730 -10.159 1.00 0.00 C ATOM 959 CD GLN A 61 0.574 7.865 -11.199 1.00 0.00 C ATOM 960 OE1 GLN A 61 1.144 7.512 -12.212 1.00 0.00 O ATOM 961 NE2 GLN A 61 -0.663 7.505 -10.987 1.00 0.00 N ATOM 0 H GLN A 61 3.381 9.649 -8.782 1.00 0.00 H new ATOM 0 HA GLN A 61 0.757 9.416 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.220 7.230 -8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.497 7.407 -8.646 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.740 9.657 -10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.281 9.007 -10.523 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.142 7.801 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.151 6.927 -11.672 1.00 0.00 H new ATOM 970 N THR A 62 2.471 8.839 -5.385 1.00 0.00 N ATOM 971 CA THR A 62 3.071 8.149 -4.200 1.00 0.00 C ATOM 972 C THR A 62 1.956 7.636 -3.287 1.00 0.00 C ATOM 973 O THR A 62 0.852 8.143 -3.282 1.00 0.00 O ATOM 974 CB THR A 62 3.945 9.140 -3.417 1.00 0.00 C ATOM 975 OG1 THR A 62 3.149 9.809 -2.449 1.00 0.00 O ATOM 976 CG2 THR A 62 4.547 10.166 -4.378 1.00 0.00 C ATOM 0 H THR A 62 2.239 9.822 -5.244 1.00 0.00 H new ATOM 0 HA THR A 62 3.680 7.312 -4.542 1.00 0.00 H new ATOM 0 HB THR A 62 4.748 8.598 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.706 10.441 -1.947 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.167 10.868 -3.820 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.158 9.654 -5.121 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.746 10.709 -4.879 1.00 0.00 H new ATOM 984 N LEU A 63 2.244 6.603 -2.538 1.00 0.00 N ATOM 985 CA LEU A 63 1.221 5.994 -1.631 1.00 0.00 C ATOM 986 C LEU A 63 1.535 6.356 -0.171 1.00 0.00 C ATOM 987 O LEU A 63 2.670 6.608 0.182 1.00 0.00 O ATOM 988 CB LEU A 63 1.285 4.468 -1.827 1.00 0.00 C ATOM 989 CG LEU A 63 -0.078 3.812 -1.554 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.126 4.268 -2.597 1.00 0.00 C ATOM 991 CD2 LEU A 63 0.095 2.285 -1.619 1.00 0.00 C ATOM 0 H LEU A 63 3.157 6.148 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 63 0.224 6.368 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.602 4.243 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.035 4.045 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.433 4.111 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.083 3.791 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.241 5.351 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.793 3.984 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.863 1.802 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.453 2.001 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.818 1.968 -0.867 1.00 0.00 H new ATOM 1003 N LYS A 64 0.530 6.378 0.678 1.00 0.00 N ATOM 1004 CA LYS A 64 0.749 6.717 2.122 1.00 0.00 C ATOM 1005 C LYS A 64 0.356 5.521 2.990 1.00 0.00 C ATOM 1006 O LYS A 64 -0.676 4.910 2.791 1.00 0.00 O ATOM 1007 CB LYS A 64 -0.124 7.917 2.499 1.00 0.00 C ATOM 1008 CG LYS A 64 0.362 9.163 1.755 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.256 10.409 2.390 1.00 0.00 C ATOM 1010 CE LYS A 64 0.038 11.631 1.516 1.00 0.00 C ATOM 1011 NZ LYS A 64 1.493 11.945 1.575 1.00 0.00 N ATOM 0 H LYS A 64 -0.438 6.174 0.429 1.00 0.00 H new ATOM 0 HA LYS A 64 1.799 6.959 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.165 7.715 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.083 8.085 3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.450 9.223 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.085 9.103 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.333 10.278 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.150 10.559 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.261 11.435 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.544 12.486 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.625 12.918 1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.965 11.282 2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.906 11.855 0.625 1.00 0.00 H new ATOM 1025 N ILE A 65 1.169 5.179 3.957 1.00 0.00 N ATOM 1026 CA ILE A 65 0.841 4.020 4.844 1.00 0.00 C ATOM 1027 C ILE A 65 0.117 4.520 6.092 1.00 0.00 C ATOM 1028 O ILE A 65 0.427 5.567 6.625 1.00 0.00 O ATOM 1029 CB ILE A 65 2.129 3.310 5.271 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.145 4.346 5.760 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.711 2.542 4.085 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.372 3.632 6.339 1.00 0.00 C ATOM 0 H ILE A 65 2.047 5.652 4.171 1.00 0.00 H new ATOM 0 HA ILE A 65 0.204 3.325 4.297 1.00 0.00 H new ATOM 0 HB ILE A 65 1.906 2.611 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.444 4.994 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.692 4.984 6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.627 2.038 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.988 1.802 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.933 3.237 3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.093 4.372 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.066 3.003 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.830 3.013 5.568 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.839 3.765 6.571 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.592 4.167 7.800 1.00 0.00 C ATOM 1046 C ARG A 66 -1.195 3.229 8.942 1.00 0.00 C ATOM 1047 O ARG A 66 -1.158 3.617 10.093 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.095 4.045 7.538 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.871 4.558 8.752 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.373 4.416 8.495 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.129 5.184 9.524 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.390 4.926 9.735 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -7.989 3.993 9.045 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -8.052 5.599 10.635 1.00 0.00 N ATOM 0 H ARG A 66 -1.133 2.879 6.160 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.357 5.198 8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.367 4.617 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.357 3.006 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.589 3.995 9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.621 5.602 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.618 4.784 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.660 3.365 8.527 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.660 5.912 10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.471 3.467 8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.975 3.791 9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.584 6.327 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.038 5.397 10.800 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.892 1.997 8.625 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.490 1.024 9.683 1.00 0.00 C ATOM 1070 C ASN A 67 -0.075 -0.297 9.028 1.00 0.00 C ATOM 1071 O ASN A 67 -0.907 -1.074 8.599 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.672 0.772 10.625 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.311 -0.336 11.617 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.162 -0.709 11.736 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.252 -0.880 12.338 1.00 0.00 N ATOM 0 H ASN A 67 -0.906 1.622 7.676 1.00 0.00 H new ATOM 0 HA ASN A 67 0.347 1.432 10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.924 1.687 11.162 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.553 0.487 10.051 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.023 -1.619 13.002 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.217 -0.566 12.238 1.00 0.00 H new ATOM 1082 N ALA A 68 1.206 -0.560 8.947 1.00 0.00 N ATOM 1083 CA ALA A 68 1.670 -1.835 8.323 1.00 0.00 C ATOM 1084 C ALA A 68 1.605 -2.967 9.352 1.00 0.00 C ATOM 1085 O ALA A 68 1.661 -2.738 10.544 1.00 0.00 O ATOM 1086 CB ALA A 68 3.113 -1.678 7.841 1.00 0.00 C ATOM 0 H ALA A 68 1.948 0.052 9.286 1.00 0.00 H new ATOM 0 HA ALA A 68 1.025 -2.072 7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.448 -2.610 7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.165 -0.876 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.755 -1.436 8.688 1.00 0.00 H new ATOM 1092 N THR A 69 1.493 -4.189 8.895 1.00 0.00 N ATOM 1093 CA THR A 69 1.429 -5.351 9.837 1.00 0.00 C ATOM 1094 C THR A 69 2.260 -6.503 9.268 1.00 0.00 C ATOM 1095 O THR A 69 2.560 -6.543 8.092 1.00 0.00 O ATOM 1096 CB THR A 69 -0.025 -5.802 9.997 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.374 -6.657 8.918 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.944 -4.579 9.999 1.00 0.00 C ATOM 0 H THR A 69 1.443 -4.434 7.906 1.00 0.00 H new ATOM 0 HA THR A 69 1.824 -5.057 10.809 1.00 0.00 H new ATOM 0 HB THR A 69 -0.138 -6.339 10.939 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.288 -6.986 9.044 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.979 -4.902 10.113 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.675 -3.923 10.827 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.834 -4.039 9.058 1.00 0.00 H new ATOM 1106 N HIS A 70 2.643 -7.440 10.096 1.00 0.00 N ATOM 1107 CA HIS A 70 3.463 -8.586 9.605 1.00 0.00 C ATOM 1108 C HIS A 70 2.551 -9.689 9.062 1.00 0.00 C ATOM 1109 O HIS A 70 2.743 -10.856 9.341 1.00 0.00 O ATOM 1110 CB HIS A 70 4.296 -9.143 10.761 1.00 0.00 C ATOM 1111 CG HIS A 70 4.976 -8.011 11.480 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.957 -7.234 10.879 1.00 0.00 N ATOM 1113 CD2 HIS A 70 4.828 -7.510 12.751 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.358 -6.318 11.779 1.00 0.00 C ATOM 1115 NE2 HIS A 70 5.702 -6.444 12.934 1.00 0.00 N ATOM 0 H HIS A 70 2.423 -7.461 11.092 1.00 0.00 H new ATOM 0 HA HIS A 70 4.120 -8.240 8.807 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.657 -9.695 11.451 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.038 -9.846 10.383 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.139 -7.886 13.493 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.117 -5.573 11.590 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.817 -5.878 13.774 1.00 0.00 H new ATOM 1124 N TYR A 71 1.562 -9.337 8.285 1.00 0.00 N ATOM 1125 CA TYR A 71 0.650 -10.377 7.730 1.00 0.00 C ATOM 1126 C TYR A 71 0.166 -11.281 8.870 1.00 0.00 C ATOM 1127 O TYR A 71 0.023 -12.477 8.717 1.00 0.00 O ATOM 1128 CB TYR A 71 1.407 -11.205 6.683 1.00 0.00 C ATOM 1129 CG TYR A 71 0.533 -12.333 6.179 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.573 -12.053 5.367 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.828 -13.660 6.523 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.381 -13.096 4.900 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.019 -14.701 6.056 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.086 -14.420 5.244 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.883 -15.447 4.783 1.00 0.00 O ATOM 0 H TYR A 71 1.347 -8.378 8.012 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.212 -9.906 7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.706 -10.567 5.851 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.320 -11.610 7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.803 -11.032 5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.681 -13.878 7.149 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.233 -12.879 4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.247 -15.723 6.322 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.538 -16.303 5.113 1.00 0.00 H new ATOM 1145 N SER A 72 -0.088 -10.713 10.018 1.00 0.00 N ATOM 1146 CA SER A 72 -0.561 -11.536 11.166 1.00 0.00 C ATOM 1147 C SER A 72 -1.981 -12.032 10.883 1.00 0.00 C ATOM 1148 O SER A 72 -2.772 -11.355 10.258 1.00 0.00 O ATOM 1149 CB SER A 72 -0.560 -10.685 12.437 1.00 0.00 C ATOM 1150 OG SER A 72 -1.134 -9.416 12.153 1.00 0.00 O ATOM 0 H SER A 72 0.012 -9.716 10.210 1.00 0.00 H new ATOM 0 HA SER A 72 0.102 -12.390 11.302 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.125 -11.185 13.224 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.458 -10.562 12.805 1.00 0.00 H new ATOM 0 HG SER A 72 -0.993 -8.816 12.915 1.00 0.00 H new ATOM 1156 N SER A 73 -2.307 -13.211 11.334 1.00 0.00 N ATOM 1157 CA SER A 73 -3.674 -13.749 11.088 1.00 0.00 C ATOM 1158 C SER A 73 -4.710 -12.846 11.762 1.00 0.00 C ATOM 1159 O SER A 73 -5.823 -12.708 11.296 1.00 0.00 O ATOM 1160 CB SER A 73 -3.777 -15.162 11.667 1.00 0.00 C ATOM 1161 OG SER A 73 -2.824 -16.000 11.028 1.00 0.00 O ATOM 0 H SER A 73 -1.687 -13.825 11.862 1.00 0.00 H new ATOM 0 HA SER A 73 -3.863 -13.779 10.015 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.598 -15.141 12.742 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.782 -15.556 11.519 1.00 0.00 H new ATOM 0 HG SER A 73 -2.885 -16.906 11.397 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.355 -12.233 12.856 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.322 -11.341 13.558 1.00 0.00 C ATOM 1169 C GLU A 74 -5.751 -10.209 12.622 1.00 0.00 C ATOM 1170 O GLU A 74 -6.892 -9.791 12.623 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.658 -10.750 14.803 1.00 0.00 C ATOM 1172 CG GLU A 74 -4.447 -11.852 15.843 1.00 0.00 C ATOM 1173 CD GLU A 74 -3.392 -12.837 15.336 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.221 -12.602 15.587 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -3.772 -13.809 14.705 1.00 0.00 O ATOM 0 H GLU A 74 -3.438 -12.310 13.295 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.199 -11.918 13.852 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.702 -10.298 14.538 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.281 -9.958 15.219 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.128 -11.417 16.790 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.386 -12.373 16.032 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.847 -9.708 11.825 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.202 -8.599 10.892 1.00 0.00 C ATOM 1184 C ARG A 75 -5.823 -9.175 9.617 1.00 0.00 C ATOM 1185 O ARG A 75 -6.840 -8.708 9.146 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.938 -7.815 10.532 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.275 -7.286 11.812 1.00 0.00 C ATOM 1188 CD ARG A 75 -4.198 -6.279 12.516 1.00 0.00 C ATOM 1189 NE ARG A 75 -5.124 -7.005 13.430 1.00 0.00 N ATOM 1190 CZ ARG A 75 -5.972 -6.339 14.165 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.009 -5.036 14.099 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -6.782 -6.975 14.967 1.00 0.00 N ATOM 0 H ARG A 75 -3.877 -10.019 11.779 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.920 -7.936 11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.243 -8.456 9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.189 -6.985 9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.052 -8.115 12.483 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.326 -6.810 11.567 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.605 -5.559 13.080 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.768 -5.715 11.778 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.095 -8.023 13.481 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.375 -4.539 13.473 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.672 -4.515 14.673 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.752 -7.993 15.020 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.445 -6.454 15.541 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.218 -10.184 9.052 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.775 -10.785 7.806 1.00 0.00 C ATOM 1208 C TRP A 76 -7.183 -11.322 8.078 1.00 0.00 C ATOM 1209 O TRP A 76 -8.088 -11.142 7.287 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.863 -11.926 7.345 1.00 0.00 C ATOM 1211 CG TRP A 76 -5.492 -12.646 6.192 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.896 -13.937 6.213 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.795 -12.142 4.859 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -6.427 -14.258 4.976 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -6.387 -13.185 4.108 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.616 -10.895 4.234 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.787 -12.998 2.784 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -6.017 -10.702 2.902 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.602 -11.753 2.179 1.00 0.00 C ATOM 0 H TRP A 76 -4.363 -10.618 9.399 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.829 -10.026 7.026 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.891 -11.530 7.051 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.690 -12.620 8.168 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.817 -14.607 7.056 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.802 -15.175 4.735 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.167 -10.080 4.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -7.236 -13.810 2.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.875 -9.740 2.432 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.909 -11.599 1.155 1.00 0.00 H new ATOM 1230 N THR A 77 -7.377 -11.983 9.185 1.00 0.00 N ATOM 1231 CA THR A 77 -8.727 -12.531 9.498 1.00 0.00 C ATOM 1232 C THR A 77 -9.658 -11.392 9.921 1.00 0.00 C ATOM 1233 O THR A 77 -10.846 -11.423 9.664 1.00 0.00 O ATOM 1234 CB THR A 77 -8.612 -13.548 10.636 1.00 0.00 C ATOM 1235 OG1 THR A 77 -8.125 -12.899 11.802 1.00 0.00 O ATOM 1236 CG2 THR A 77 -7.649 -14.666 10.230 1.00 0.00 C ATOM 0 H THR A 77 -6.660 -12.168 9.886 1.00 0.00 H new ATOM 0 HA THR A 77 -9.134 -13.020 8.613 1.00 0.00 H new ATOM 0 HB THR A 77 -9.593 -13.976 10.842 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.170 -13.092 11.909 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.568 -15.389 11.041 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.025 -15.164 9.336 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.666 -14.242 10.023 1.00 0.00 H new ATOM 1244 N ASN A 78 -9.130 -10.388 10.566 1.00 0.00 N ATOM 1245 CA ASN A 78 -9.986 -9.248 11.004 1.00 0.00 C ATOM 1246 C ASN A 78 -10.149 -8.266 9.843 1.00 0.00 C ATOM 1247 O ASN A 78 -11.037 -7.436 9.838 1.00 0.00 O ATOM 1248 CB ASN A 78 -9.322 -8.535 12.184 1.00 0.00 C ATOM 1249 CG ASN A 78 -10.230 -7.407 12.676 1.00 0.00 C ATOM 1250 OD1 ASN A 78 -11.385 -7.629 12.980 1.00 0.00 O ATOM 1251 ND2 ASN A 78 -9.752 -6.196 12.769 1.00 0.00 N ATOM 0 H ASN A 78 -8.143 -10.307 10.809 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.964 -9.621 11.310 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.134 -9.243 12.991 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.355 -8.132 11.882 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.348 -5.436 13.097 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.782 -6.010 12.514 1.00 0.00 H new ATOM 1258 N ALA A 79 -9.296 -8.353 8.858 1.00 0.00 N ATOM 1259 CA ALA A 79 -9.398 -7.426 7.697 1.00 0.00 C ATOM 1260 C ALA A 79 -10.442 -7.956 6.712 1.00 0.00 C ATOM 1261 O ALA A 79 -11.503 -7.387 6.552 1.00 0.00 O ATOM 1262 CB ALA A 79 -8.040 -7.335 6.998 1.00 0.00 C ATOM 0 H ALA A 79 -8.532 -9.027 8.808 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.696 -6.437 8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.113 -6.657 6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.294 -6.959 7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.744 -8.324 6.649 1.00 0.00 H new ATOM 1268 N ASP A 80 -10.151 -9.043 6.052 1.00 0.00 N ATOM 1269 CA ASP A 80 -11.128 -9.609 5.079 1.00 0.00 C ATOM 1270 C ASP A 80 -12.419 -9.982 5.811 1.00 0.00 C ATOM 1271 O ASP A 80 -13.433 -10.251 5.201 1.00 0.00 O ATOM 1272 CB ASP A 80 -10.532 -10.857 4.426 1.00 0.00 C ATOM 1273 CG ASP A 80 -10.150 -11.868 5.510 1.00 0.00 C ATOM 1274 OD1 ASP A 80 -10.967 -12.109 6.382 1.00 0.00 O ATOM 1275 OD2 ASP A 80 -9.046 -12.382 5.448 1.00 0.00 O ATOM 0 H ASP A 80 -9.279 -9.564 6.144 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.348 -8.867 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.253 -11.300 3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.654 -10.589 3.838 1.00 0.00 H new ATOM 1280 N LYS A 81 -12.388 -10.000 7.116 1.00 0.00 N ATOM 1281 CA LYS A 81 -13.613 -10.356 7.885 1.00 0.00 C ATOM 1282 C LYS A 81 -13.472 -9.854 9.324 1.00 0.00 C ATOM 1283 O LYS A 81 -13.256 -10.676 10.199 1.00 0.00 O ATOM 1284 CB LYS A 81 -13.788 -11.880 7.890 1.00 0.00 C ATOM 1285 CG LYS A 81 -15.166 -12.259 8.464 1.00 0.00 C ATOM 1286 CD LYS A 81 -16.237 -12.202 7.365 1.00 0.00 C ATOM 1287 CE LYS A 81 -17.563 -12.726 7.920 1.00 0.00 C ATOM 1288 NZ LYS A 81 -18.581 -12.749 6.832 1.00 0.00 N ATOM 0 H LYS A 81 -11.567 -9.784 7.682 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.483 -9.892 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.690 -12.267 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.000 -12.341 8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.126 -13.261 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.430 -11.578 9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.357 -11.178 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.927 -12.800 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.428 -13.728 8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.904 -12.091 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -19.483 -13.105 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.716 -11.786 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.256 -13.372 6.065 1.00 0.00 H new TER 1302 LYS A 81