USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1037 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 129 LYS NZ :NH3+ -158:sc= -4.01! (180deg=-2.5!) USER MOD Set 1.2: A 130 LYS NZ :NH3+ 146:sc= -7.5! (180deg=-1.61!) USER MOD Set 2.1: A 115 GLN : amide:sc= -0.842 K(o=-1.3,f=-2.4) USER MOD Set 2.2: A 117 TYR OH : rot -130:sc= -0.431 USER MOD Set 3.1: A 24 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.12) USER MOD Set 3.2: A 27 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.12) USER MOD Single : A 4 SER OG : rot -91:sc= -0.717! USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -1.73! (180deg=-2.36!) USER MOD Single : A 11 SER OG : rot 74:sc= 0.351 USER MOD Single : A 13 ASN : amide:sc= 0.0212 K(o=0.021,f=-1.2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -0.041 (180deg=-0.421) USER MOD Single : A 18 MET CE :methyl 180:sc= -5.16! (180deg=-5.16!) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0.965 (180deg=0.946) USER MOD Single : A 21 MET CE :methyl 165:sc= -1.74 (180deg=-2.39) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.041) USER MOD Single : A 35 ASN : amide:sc= -4.6! C(o=-4.6!,f=-11!) USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= 0.688 (180deg=0.398) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -4.72! C(o=-4.7!,f=-4.6!) USER MOD Single : A 45 ASN : amide:sc= -0.353! C(o=-0.35!,f=-6.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= -0.328 (180deg=-1.06) USER MOD Single : A 52 SER OG : rot -33:sc= -0.261! USER MOD Single : A 53 SER OG : rot 180:sc= 0.384 USER MOD Single : A 57 ASN : amide:sc= -4.39! K(o=-4.4!,f=-0.069) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 69 ASN : amide:sc= -3.56! C(o=-3.6!,f=-8.8!) USER MOD Single : A 71 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.52) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.788 USER MOD Single : A 81 THR OG1 : rot -82:sc= -2.33! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.6!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -120:sc= -1.17 USER MOD Single : A 98 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.058) USER MOD Single : A 100 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.5!) USER MOD Single : A 103 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.85) USER MOD Single : A 104 THR OG1 : rot 58:sc= -0.396! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 165:sc= -3.19 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ASP A 3 114.683 7.275 -9.918 1.00 0.00 N ATOM 34 CA ASP A 3 113.914 8.471 -10.365 1.00 0.00 C ATOM 35 C ASP A 3 113.203 8.156 -11.681 1.00 0.00 C ATOM 36 O ASP A 3 113.758 8.311 -12.750 1.00 0.00 O ATOM 37 CB ASP A 3 114.874 9.646 -10.572 1.00 0.00 C ATOM 38 CG ASP A 3 116.005 9.568 -9.545 1.00 0.00 C ATOM 39 OD1 ASP A 3 117.152 9.514 -9.959 1.00 0.00 O ATOM 40 OD2 ASP A 3 115.706 9.563 -8.362 1.00 0.00 O ATOM 0 HA ASP A 3 113.176 8.734 -9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.283 9.621 -11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 3 114.338 10.590 -10.468 1.00 0.00 H new ATOM 45 N SER A 4 111.976 7.712 -11.614 1.00 0.00 N ATOM 46 CA SER A 4 111.234 7.386 -12.865 1.00 0.00 C ATOM 47 C SER A 4 110.011 6.527 -12.526 1.00 0.00 C ATOM 48 O SER A 4 109.620 6.409 -11.379 1.00 0.00 O ATOM 49 CB SER A 4 112.156 6.621 -13.818 1.00 0.00 C ATOM 50 OG SER A 4 111.391 5.700 -14.582 1.00 0.00 O ATOM 0 H SER A 4 111.457 7.561 -10.749 1.00 0.00 H new ATOM 0 HA SER A 4 110.903 8.307 -13.344 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.672 7.318 -14.479 1.00 0.00 H new ATOM 0 HB3 SER A 4 112.923 6.092 -13.252 1.00 0.00 H new ATOM 0 HG SER A 4 111.362 4.836 -14.120 1.00 0.00 H new ATOM 56 N THR A 5 109.401 5.929 -13.514 1.00 0.00 N ATOM 57 CA THR A 5 108.205 5.083 -13.250 1.00 0.00 C ATOM 58 C THR A 5 108.639 3.634 -13.025 1.00 0.00 C ATOM 59 O THR A 5 109.584 3.157 -13.623 1.00 0.00 O ATOM 60 CB THR A 5 107.255 5.151 -14.450 1.00 0.00 C ATOM 61 OG1 THR A 5 106.838 6.495 -14.646 1.00 0.00 O ATOM 62 CG2 THR A 5 106.035 4.267 -14.189 1.00 0.00 C ATOM 0 H THR A 5 109.681 5.991 -14.493 1.00 0.00 H new ATOM 0 HA THR A 5 107.694 5.449 -12.360 1.00 0.00 H new ATOM 0 HB THR A 5 107.771 4.797 -15.343 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.232 6.541 -15.414 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.360 4.317 -15.044 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.357 3.236 -14.041 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.516 4.617 -13.296 1.00 0.00 H new ATOM 70 N TRP A 6 107.959 2.933 -12.161 1.00 0.00 N ATOM 71 CA TRP A 6 108.330 1.517 -11.885 1.00 0.00 C ATOM 72 C TRP A 6 107.083 0.741 -11.461 1.00 0.00 C ATOM 73 O TRP A 6 106.051 1.317 -11.181 1.00 0.00 O ATOM 74 CB TRP A 6 109.354 1.473 -10.756 1.00 0.00 C ATOM 75 CG TRP A 6 110.389 2.531 -10.965 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.207 3.854 -10.749 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.763 2.379 -11.420 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.385 4.520 -11.035 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.374 3.653 -11.455 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.531 1.265 -11.801 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.703 3.815 -11.852 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.865 1.423 -12.199 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.452 2.695 -12.224 1.00 0.00 C ATOM 0 H TRP A 6 107.159 3.281 -11.632 1.00 0.00 H new ATOM 0 HA TRP A 6 108.755 1.070 -12.784 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.857 1.622 -9.797 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.827 0.492 -10.721 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.291 4.315 -10.409 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.508 5.529 -10.946 1.00 0.00 H new ATOM 0 HE3 TRP A 6 112.089 0.280 -11.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.149 4.798 -11.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.445 0.559 -12.488 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.481 2.810 -12.530 1.00 0.00 H new ATOM 94 N LYS A 7 107.163 -0.562 -11.404 1.00 0.00 N ATOM 95 CA LYS A 7 105.976 -1.357 -10.990 1.00 0.00 C ATOM 96 C LYS A 7 106.430 -2.676 -10.367 1.00 0.00 C ATOM 97 O LYS A 7 107.282 -3.361 -10.897 1.00 0.00 O ATOM 98 CB LYS A 7 105.093 -1.639 -12.210 1.00 0.00 C ATOM 99 CG LYS A 7 105.617 -2.868 -12.957 1.00 0.00 C ATOM 100 CD LYS A 7 104.922 -2.977 -14.314 1.00 0.00 C ATOM 101 CE LYS A 7 103.417 -3.162 -14.111 1.00 0.00 C ATOM 102 NZ LYS A 7 103.173 -3.970 -12.881 1.00 0.00 N ATOM 0 H LYS A 7 107.997 -1.106 -11.626 1.00 0.00 H new ATOM 0 HA LYS A 7 105.404 -0.791 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.063 -1.806 -11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 7 105.087 -0.774 -12.873 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.695 -2.790 -13.094 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.435 -3.768 -12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.111 -2.080 -14.903 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.329 -3.818 -14.875 1.00 0.00 H new ATOM 0 HE2 LYS A 7 102.930 -2.191 -14.023 1.00 0.00 H new ATOM 0 HE3 LYS A 7 102.982 -3.660 -14.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 102.185 -4.295 -12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 103.809 -4.793 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 103.355 -3.386 -12.040 1.00 0.00 H new ATOM 116 N VAL A 8 105.865 -3.038 -9.251 1.00 0.00 N ATOM 117 CA VAL A 8 106.260 -4.313 -8.600 1.00 0.00 C ATOM 118 C VAL A 8 106.456 -5.389 -9.664 1.00 0.00 C ATOM 119 O VAL A 8 105.513 -5.904 -10.231 1.00 0.00 O ATOM 120 CB VAL A 8 105.171 -4.740 -7.611 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.805 -4.287 -8.127 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.180 -6.265 -7.456 1.00 0.00 C ATOM 0 H VAL A 8 105.146 -2.505 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 8 107.196 -4.175 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 8 105.365 -4.279 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 8 103.031 -4.591 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.796 -3.202 -8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.613 -4.744 -9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.404 -6.564 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.991 -6.730 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.152 -6.587 -7.083 1.00 0.00 H new ATOM 132 N ASP A 9 107.683 -5.739 -9.925 1.00 0.00 N ATOM 133 CA ASP A 9 107.959 -6.791 -10.934 1.00 0.00 C ATOM 134 C ASP A 9 108.208 -8.099 -10.192 1.00 0.00 C ATOM 135 O ASP A 9 107.922 -9.173 -10.683 1.00 0.00 O ATOM 136 CB ASP A 9 109.200 -6.415 -11.746 1.00 0.00 C ATOM 137 CG ASP A 9 109.210 -7.200 -13.058 1.00 0.00 C ATOM 138 OD1 ASP A 9 110.075 -8.046 -13.214 1.00 0.00 O ATOM 139 OD2 ASP A 9 108.351 -6.943 -13.886 1.00 0.00 O ATOM 0 H ASP A 9 108.509 -5.339 -9.480 1.00 0.00 H new ATOM 0 HA ASP A 9 107.115 -6.895 -11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.203 -5.344 -11.951 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.102 -6.632 -11.173 1.00 0.00 H new ATOM 144 N ARG A 10 108.733 -8.011 -8.999 1.00 0.00 N ATOM 145 CA ARG A 10 108.995 -9.248 -8.211 1.00 0.00 C ATOM 146 C ARG A 10 108.655 -9.009 -6.736 1.00 0.00 C ATOM 147 O ARG A 10 108.410 -7.896 -6.317 1.00 0.00 O ATOM 148 CB ARG A 10 110.468 -9.638 -8.344 1.00 0.00 C ATOM 149 CG ARG A 10 110.662 -10.460 -9.616 1.00 0.00 C ATOM 150 CD ARG A 10 110.420 -11.941 -9.315 1.00 0.00 C ATOM 151 NE ARG A 10 109.941 -12.626 -10.550 1.00 0.00 N ATOM 152 CZ ARG A 10 109.853 -13.927 -10.582 1.00 0.00 C ATOM 153 NH1 ARG A 10 109.433 -14.526 -11.662 1.00 0.00 N ATOM 154 NH2 ARG A 10 110.185 -14.630 -9.533 1.00 0.00 N ATOM 0 H ARG A 10 108.991 -7.138 -8.538 1.00 0.00 H new ATOM 0 HA ARG A 10 108.371 -10.055 -8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 10 111.091 -8.744 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.783 -10.214 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.974 -10.119 -10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.671 -10.318 -10.002 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.340 -12.407 -8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 10 109.683 -12.046 -8.519 1.00 0.00 H new ATOM 0 HE ARG A 10 109.682 -12.077 -11.370 1.00 0.00 H new ATOM 0 HH11 ARG A 10 109.173 -13.977 -12.482 1.00 0.00 H new ATOM 0 HH12 ARG A 10 109.364 -15.543 -11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 10 110.513 -14.162 -8.688 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.116 -15.647 -9.558 1.00 0.00 H new ATOM 168 N SER A 11 108.635 -10.052 -5.948 1.00 0.00 N ATOM 169 CA SER A 11 108.307 -9.896 -4.501 1.00 0.00 C ATOM 170 C SER A 11 108.471 -11.246 -3.797 1.00 0.00 C ATOM 171 O SER A 11 108.786 -12.242 -4.418 1.00 0.00 O ATOM 172 CB SER A 11 106.864 -9.417 -4.354 1.00 0.00 C ATOM 173 OG SER A 11 106.464 -9.538 -2.995 1.00 0.00 O ATOM 0 H SER A 11 108.832 -11.007 -6.246 1.00 0.00 H new ATOM 0 HA SER A 11 108.979 -9.165 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.778 -8.380 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.206 -10.007 -4.992 1.00 0.00 H new ATOM 0 HG SER A 11 106.890 -8.832 -2.465 1.00 0.00 H new ATOM 179 N GLU A 12 108.261 -11.294 -2.508 1.00 0.00 N ATOM 180 CA GLU A 12 108.407 -12.586 -1.782 1.00 0.00 C ATOM 181 C GLU A 12 107.580 -12.557 -0.493 1.00 0.00 C ATOM 182 O GLU A 12 107.313 -11.509 0.065 1.00 0.00 O ATOM 183 CB GLU A 12 109.888 -12.822 -1.449 1.00 0.00 C ATOM 184 CG GLU A 12 110.179 -12.395 -0.006 1.00 0.00 C ATOM 185 CD GLU A 12 111.692 -12.342 0.214 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.116 -11.627 1.108 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.401 -13.019 -0.513 1.00 0.00 O ATOM 0 H GLU A 12 107.996 -10.497 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 12 108.046 -13.397 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.135 -13.875 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.518 -12.258 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.737 -11.418 0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.724 -13.098 0.692 1.00 0.00 H new ATOM 194 N ASN A 13 107.178 -13.707 -0.017 1.00 0.00 N ATOM 195 CA ASN A 13 106.371 -13.766 1.236 1.00 0.00 C ATOM 196 C ASN A 13 105.109 -12.915 1.080 1.00 0.00 C ATOM 197 O ASN A 13 104.203 -13.259 0.347 1.00 0.00 O ATOM 198 CB ASN A 13 107.204 -13.238 2.407 1.00 0.00 C ATOM 199 CG ASN A 13 108.086 -14.363 2.954 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.465 -15.260 2.228 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.430 -14.352 4.212 1.00 0.00 N ATOM 0 H ASN A 13 107.376 -14.611 -0.445 1.00 0.00 H new ATOM 0 HA ASN A 13 106.085 -14.800 1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.823 -12.403 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.549 -12.861 3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.018 -15.097 4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.111 -13.598 4.821 1.00 0.00 H new ATOM 208 N TYR A 14 105.042 -11.807 1.764 1.00 0.00 N ATOM 209 CA TYR A 14 103.843 -10.934 1.657 1.00 0.00 C ATOM 210 C TYR A 14 102.687 -11.546 2.444 1.00 0.00 C ATOM 211 O TYR A 14 102.105 -10.909 3.299 1.00 0.00 O ATOM 212 CB TYR A 14 103.451 -10.783 0.182 1.00 0.00 C ATOM 213 CG TYR A 14 103.003 -9.365 -0.091 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.722 -8.285 0.440 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.871 -9.131 -0.880 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.306 -6.974 0.181 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.455 -7.820 -1.138 1.00 0.00 C ATOM 218 CZ TYR A 14 102.172 -6.741 -0.608 1.00 0.00 C ATOM 219 OH TYR A 14 101.763 -5.448 -0.862 1.00 0.00 O ATOM 0 H TYR A 14 105.769 -11.469 2.394 1.00 0.00 H new ATOM 0 HA TYR A 14 104.071 -9.952 2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.298 -11.035 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.650 -11.480 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.596 -8.464 1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.318 -9.963 -1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.860 -6.141 0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.581 -7.641 -1.746 1.00 0.00 H new ATOM 0 HH TYR A 14 100.961 -5.463 -1.426 1.00 0.00 H new ATOM 229 N ASP A 15 102.350 -12.772 2.173 1.00 0.00 N ATOM 230 CA ASP A 15 101.232 -13.401 2.925 1.00 0.00 C ATOM 231 C ASP A 15 101.626 -13.498 4.394 1.00 0.00 C ATOM 232 O ASP A 15 100.845 -13.210 5.278 1.00 0.00 O ATOM 233 CB ASP A 15 100.950 -14.799 2.369 1.00 0.00 C ATOM 234 CG ASP A 15 100.674 -14.704 0.868 1.00 0.00 C ATOM 235 OD1 ASP A 15 100.825 -13.623 0.324 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.315 -15.715 0.286 1.00 0.00 O ATOM 0 H ASP A 15 102.795 -13.362 1.470 1.00 0.00 H new ATOM 0 HA ASP A 15 100.331 -12.797 2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 15 101.802 -15.454 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.094 -15.239 2.880 1.00 0.00 H new ATOM 241 N LYS A 16 102.841 -13.881 4.661 1.00 0.00 N ATOM 242 CA LYS A 16 103.289 -13.970 6.073 1.00 0.00 C ATOM 243 C LYS A 16 103.320 -12.559 6.654 1.00 0.00 C ATOM 244 O LYS A 16 103.069 -12.350 7.824 1.00 0.00 O ATOM 245 CB LYS A 16 104.688 -14.586 6.135 1.00 0.00 C ATOM 246 CG LYS A 16 104.748 -15.813 5.222 1.00 0.00 C ATOM 247 CD LYS A 16 103.554 -16.725 5.514 1.00 0.00 C ATOM 248 CE LYS A 16 103.794 -18.098 4.885 1.00 0.00 C ATOM 249 NZ LYS A 16 104.849 -18.818 5.653 1.00 0.00 N ATOM 0 H LYS A 16 103.541 -14.135 3.964 1.00 0.00 H new ATOM 0 HA LYS A 16 102.606 -14.598 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.433 -13.853 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 16 104.926 -14.870 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.736 -15.503 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.680 -16.354 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 16 103.415 -16.826 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 16 102.640 -16.285 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 16 102.870 -18.677 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 16 104.099 -17.985 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 104.740 -19.843 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 105.787 -18.521 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 104.757 -18.593 6.664 1.00 0.00 H new ATOM 263 N PHE A 17 103.612 -11.586 5.835 1.00 0.00 N ATOM 264 CA PHE A 17 103.644 -10.187 6.327 1.00 0.00 C ATOM 265 C PHE A 17 102.216 -9.723 6.583 1.00 0.00 C ATOM 266 O PHE A 17 101.845 -9.380 7.689 1.00 0.00 O ATOM 267 CB PHE A 17 104.289 -9.314 5.258 1.00 0.00 C ATOM 268 CG PHE A 17 104.042 -7.859 5.560 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.983 -7.147 6.299 1.00 0.00 C ATOM 270 CD2 PHE A 17 102.886 -7.223 5.094 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.778 -5.792 6.580 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.675 -5.867 5.375 1.00 0.00 C ATOM 273 CZ PHE A 17 103.622 -5.151 6.118 1.00 0.00 C ATOM 0 H PHE A 17 103.830 -11.703 4.845 1.00 0.00 H new ATOM 0 HA PHE A 17 104.217 -10.117 7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.361 -9.508 5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.882 -9.564 4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.874 -7.642 6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.158 -7.776 4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.510 -5.241 7.152 1.00 0.00 H new ATOM 0 HE2 PHE A 17 101.783 -5.374 5.019 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.461 -4.105 6.334 1.00 0.00 H new ATOM 283 N MET A 18 101.412 -9.724 5.564 1.00 0.00 N ATOM 284 CA MET A 18 99.996 -9.295 5.734 1.00 0.00 C ATOM 285 C MET A 18 99.340 -10.153 6.817 1.00 0.00 C ATOM 286 O MET A 18 98.391 -9.745 7.456 1.00 0.00 O ATOM 287 CB MET A 18 99.245 -9.470 4.408 1.00 0.00 C ATOM 288 CG MET A 18 99.060 -8.106 3.739 1.00 0.00 C ATOM 289 SD MET A 18 98.475 -8.341 2.042 1.00 0.00 S ATOM 290 CE MET A 18 99.695 -7.278 1.231 1.00 0.00 C ATOM 0 H MET A 18 101.671 -10.003 4.618 1.00 0.00 H new ATOM 0 HA MET A 18 99.961 -8.246 6.029 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.801 -10.137 3.749 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.275 -9.933 4.586 1.00 0.00 H new ATOM 0 HG2 MET A 18 98.344 -7.507 4.302 1.00 0.00 H new ATOM 0 HG3 MET A 18 100.003 -7.559 3.738 1.00 0.00 H new ATOM 0 HE1 MET A 18 99.518 -7.275 0.156 1.00 0.00 H new ATOM 0 HE2 MET A 18 99.606 -6.262 1.616 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.698 -7.655 1.432 1.00 0.00 H new ATOM 300 N GLU A 19 99.841 -11.340 7.034 1.00 0.00 N ATOM 301 CA GLU A 19 99.244 -12.215 8.080 1.00 0.00 C ATOM 302 C GLU A 19 99.737 -11.765 9.455 1.00 0.00 C ATOM 303 O GLU A 19 99.050 -11.905 10.448 1.00 0.00 O ATOM 304 CB GLU A 19 99.664 -13.666 7.835 1.00 0.00 C ATOM 305 CG GLU A 19 99.262 -14.523 9.038 1.00 0.00 C ATOM 306 CD GLU A 19 99.216 -15.995 8.624 1.00 0.00 C ATOM 307 OE1 GLU A 19 99.672 -16.821 9.397 1.00 0.00 O ATOM 308 OE2 GLU A 19 98.724 -16.270 7.543 1.00 0.00 O ATOM 0 H GLU A 19 100.635 -11.739 6.533 1.00 0.00 H new ATOM 0 HA GLU A 19 98.157 -12.143 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.190 -14.045 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.741 -13.723 7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.975 -14.385 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.288 -14.209 9.412 1.00 0.00 H new ATOM 315 N LYS A 20 100.921 -11.222 9.521 1.00 0.00 N ATOM 316 CA LYS A 20 101.452 -10.761 10.833 1.00 0.00 C ATOM 317 C LYS A 20 100.666 -9.536 11.296 1.00 0.00 C ATOM 318 O LYS A 20 100.319 -9.410 12.454 1.00 0.00 O ATOM 319 CB LYS A 20 102.933 -10.399 10.689 1.00 0.00 C ATOM 320 CG LYS A 20 103.637 -10.577 12.037 1.00 0.00 C ATOM 321 CD LYS A 20 104.061 -12.037 12.206 1.00 0.00 C ATOM 322 CE LYS A 20 104.932 -12.175 13.457 1.00 0.00 C ATOM 323 NZ LYS A 20 106.353 -11.894 13.108 1.00 0.00 N ATOM 0 H LYS A 20 101.542 -11.078 8.725 1.00 0.00 H new ATOM 0 HA LYS A 20 101.347 -11.558 11.569 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.401 -11.033 9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 20 103.035 -9.369 10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.509 -9.926 12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.970 -10.285 12.848 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.181 -12.675 12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 20 104.613 -12.370 11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.592 -11.483 14.228 1.00 0.00 H new ATOM 0 HE3 LYS A 20 104.840 -13.180 13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 106.951 -12.037 13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 106.658 -12.538 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 106.443 -10.910 12.783 1.00 0.00 H new ATOM 337 N MET A 21 100.375 -8.634 10.401 1.00 0.00 N ATOM 338 CA MET A 21 99.600 -7.424 10.798 1.00 0.00 C ATOM 339 C MET A 21 98.175 -7.845 11.165 1.00 0.00 C ATOM 340 O MET A 21 97.383 -7.052 11.631 1.00 0.00 O ATOM 341 CB MET A 21 99.554 -6.408 9.643 1.00 0.00 C ATOM 342 CG MET A 21 100.446 -6.870 8.489 1.00 0.00 C ATOM 343 SD MET A 21 100.192 -5.784 7.063 1.00 0.00 S ATOM 344 CE MET A 21 100.912 -4.294 7.791 1.00 0.00 C ATOM 0 H MET A 21 100.638 -8.681 9.417 1.00 0.00 H new ATOM 0 HA MET A 21 100.086 -6.954 11.653 1.00 0.00 H new ATOM 0 HB2 MET A 21 98.528 -6.291 9.294 1.00 0.00 H new ATOM 0 HB3 MET A 21 99.883 -5.431 9.997 1.00 0.00 H new ATOM 0 HG2 MET A 21 101.493 -6.851 8.793 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.210 -7.900 8.222 1.00 0.00 H new ATOM 0 HE1 MET A 21 101.107 -3.563 7.006 1.00 0.00 H new ATOM 0 HE2 MET A 21 100.217 -3.871 8.516 1.00 0.00 H new ATOM 0 HE3 MET A 21 101.847 -4.548 8.290 1.00 0.00 H new ATOM 354 N GLY A 22 97.845 -9.092 10.956 1.00 0.00 N ATOM 355 CA GLY A 22 96.471 -9.565 11.293 1.00 0.00 C ATOM 356 C GLY A 22 95.493 -9.116 10.205 1.00 0.00 C ATOM 357 O GLY A 22 94.326 -8.895 10.461 1.00 0.00 O ATOM 0 H GLY A 22 98.466 -9.802 10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.460 -10.651 11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 22 96.164 -9.165 12.259 1.00 0.00 H new ATOM 361 N VAL A 23 95.958 -8.981 8.994 1.00 0.00 N ATOM 362 CA VAL A 23 95.053 -8.547 7.893 1.00 0.00 C ATOM 363 C VAL A 23 94.171 -9.721 7.463 1.00 0.00 C ATOM 364 O VAL A 23 94.636 -10.833 7.305 1.00 0.00 O ATOM 365 CB VAL A 23 95.890 -8.077 6.701 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.973 -7.450 5.648 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.910 -7.038 7.171 1.00 0.00 C ATOM 0 H VAL A 23 96.925 -9.152 8.719 1.00 0.00 H new ATOM 0 HA VAL A 23 94.424 -7.729 8.242 1.00 0.00 H new ATOM 0 HB VAL A 23 96.413 -8.929 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.569 -7.115 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.246 -8.189 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.450 -6.598 6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.506 -6.703 6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.387 -6.186 7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.564 -7.483 7.920 1.00 0.00 H new ATOM 377 N ASN A 24 92.902 -9.484 7.274 1.00 0.00 N ATOM 378 CA ASN A 24 91.993 -10.588 6.854 1.00 0.00 C ATOM 379 C ASN A 24 92.615 -11.336 5.674 1.00 0.00 C ATOM 380 O ASN A 24 93.464 -10.818 4.977 1.00 0.00 O ATOM 381 CB ASN A 24 90.642 -10.006 6.434 1.00 0.00 C ATOM 382 CG ASN A 24 90.112 -9.095 7.543 1.00 0.00 C ATOM 383 OD1 ASN A 24 89.849 -7.930 7.314 1.00 0.00 O ATOM 384 ND2 ASN A 24 89.943 -9.578 8.743 1.00 0.00 N ATOM 0 H ASN A 24 92.455 -8.575 7.392 1.00 0.00 H new ATOM 0 HA ASN A 24 91.848 -11.276 7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.749 -9.443 5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.932 -10.810 6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 24 89.590 -8.979 9.489 1.00 0.00 H new ATOM 0 HD22 ASN A 24 90.164 -10.555 8.935 1.00 0.00 H new ATOM 391 N ILE A 25 92.201 -12.553 5.443 1.00 0.00 N ATOM 392 CA ILE A 25 92.774 -13.328 4.307 1.00 0.00 C ATOM 393 C ILE A 25 92.053 -12.943 3.023 1.00 0.00 C ATOM 394 O ILE A 25 92.359 -13.411 1.945 1.00 0.00 O ATOM 395 CB ILE A 25 92.607 -14.825 4.582 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.799 -15.330 5.403 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.526 -15.595 3.260 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.992 -15.604 4.481 1.00 0.00 C ATOM 0 H ILE A 25 91.493 -13.042 5.991 1.00 0.00 H new ATOM 0 HA ILE A 25 93.835 -13.104 4.199 1.00 0.00 H new ATOM 0 HB ILE A 25 91.686 -14.986 5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 25 94.073 -14.590 6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 25 93.524 -16.240 5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 25 92.407 -16.659 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.672 -15.239 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.441 -15.435 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.834 -15.962 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.717 -16.360 3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 25 95.274 -14.685 3.968 1.00 0.00 H new ATOM 410 N VAL A 26 91.106 -12.082 3.146 1.00 0.00 N ATOM 411 CA VAL A 26 90.338 -11.626 1.954 1.00 0.00 C ATOM 412 C VAL A 26 91.149 -10.568 1.211 1.00 0.00 C ATOM 413 O VAL A 26 91.505 -10.735 0.059 1.00 0.00 O ATOM 414 CB VAL A 26 89.004 -11.028 2.402 1.00 0.00 C ATOM 415 CG1 VAL A 26 88.271 -10.448 1.191 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.144 -12.122 3.040 1.00 0.00 C ATOM 0 H VAL A 26 90.818 -11.662 4.030 1.00 0.00 H new ATOM 0 HA VAL A 26 90.148 -12.473 1.294 1.00 0.00 H new ATOM 0 HB VAL A 26 89.187 -10.237 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 26 87.320 -10.022 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 26 88.882 -9.670 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.088 -11.239 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.193 -11.697 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.962 -12.912 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.664 -12.537 3.903 1.00 0.00 H new ATOM 426 N LYS A 27 91.455 -9.486 1.865 1.00 0.00 N ATOM 427 CA LYS A 27 92.256 -8.423 1.202 1.00 0.00 C ATOM 428 C LYS A 27 93.572 -9.030 0.726 1.00 0.00 C ATOM 429 O LYS A 27 94.031 -8.773 -0.369 1.00 0.00 O ATOM 430 CB LYS A 27 92.540 -7.296 2.197 1.00 0.00 C ATOM 431 CG LYS A 27 91.219 -6.719 2.706 1.00 0.00 C ATOM 432 CD LYS A 27 91.465 -5.335 3.312 1.00 0.00 C ATOM 433 CE LYS A 27 90.134 -4.730 3.762 1.00 0.00 C ATOM 434 NZ LYS A 27 89.649 -5.444 4.977 1.00 0.00 N ATOM 0 H LYS A 27 91.186 -9.291 2.829 1.00 0.00 H new ATOM 0 HA LYS A 27 91.705 -8.016 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 27 93.130 -7.674 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.130 -6.514 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 27 90.502 -6.647 1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.784 -7.383 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 27 92.146 -5.413 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 27 91.942 -4.685 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 27 90.259 -3.669 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.398 -4.809 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.862 -4.913 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.323 -6.396 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 90.424 -5.522 5.666 1.00 0.00 H new ATOM 448 N ARG A 28 94.176 -9.848 1.542 1.00 0.00 N ATOM 449 CA ARG A 28 95.459 -10.490 1.145 1.00 0.00 C ATOM 450 C ARG A 28 95.239 -11.309 -0.126 1.00 0.00 C ATOM 451 O ARG A 28 96.006 -11.235 -1.065 1.00 0.00 O ATOM 452 CB ARG A 28 95.936 -11.412 2.271 1.00 0.00 C ATOM 453 CG ARG A 28 97.313 -11.990 1.921 1.00 0.00 C ATOM 454 CD ARG A 28 97.386 -13.451 2.371 1.00 0.00 C ATOM 455 NE ARG A 28 96.480 -14.278 1.525 1.00 0.00 N ATOM 456 CZ ARG A 28 96.912 -14.775 0.398 1.00 0.00 C ATOM 457 NH1 ARG A 28 96.118 -15.502 -0.340 1.00 0.00 N ATOM 458 NH2 ARG A 28 98.137 -14.549 0.010 1.00 0.00 N ATOM 0 H ARG A 28 93.835 -10.100 2.470 1.00 0.00 H new ATOM 0 HA ARG A 28 96.212 -9.724 0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.991 -10.858 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.220 -12.220 2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 28 97.485 -11.921 0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 28 98.097 -11.409 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 28 98.410 -13.816 2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 28 97.099 -13.534 3.419 1.00 0.00 H new ATOM 0 HE ARG A 28 95.522 -14.456 1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 28 95.161 -15.681 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 28 96.454 -15.891 -1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.759 -13.983 0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 28 98.473 -14.938 -0.871 1.00 0.00 H new ATOM 472 N LYS A 29 94.194 -12.091 -0.164 1.00 0.00 N ATOM 473 CA LYS A 29 93.927 -12.914 -1.376 1.00 0.00 C ATOM 474 C LYS A 29 93.907 -12.010 -2.609 1.00 0.00 C ATOM 475 O LYS A 29 94.394 -12.368 -3.663 1.00 0.00 O ATOM 476 CB LYS A 29 92.572 -13.611 -1.233 1.00 0.00 C ATOM 477 CG LYS A 29 92.442 -14.701 -2.299 1.00 0.00 C ATOM 478 CD LYS A 29 91.009 -15.236 -2.310 1.00 0.00 C ATOM 479 CE LYS A 29 90.999 -16.661 -2.866 1.00 0.00 C ATOM 480 NZ LYS A 29 91.300 -17.625 -1.770 1.00 0.00 N ATOM 0 H LYS A 29 93.516 -12.195 0.591 1.00 0.00 H new ATOM 0 HA LYS A 29 94.710 -13.664 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 29 92.479 -14.048 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 29 91.765 -12.886 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 29 92.699 -14.299 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.142 -15.511 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 90.598 -15.226 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 29 90.374 -14.592 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 29 90.026 -16.885 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 29 91.737 -16.757 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.293 -18.594 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.237 -17.416 -1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 90.580 -17.539 -1.025 1.00 0.00 H new ATOM 494 N LEU A 30 93.344 -10.840 -2.486 1.00 0.00 N ATOM 495 CA LEU A 30 93.290 -9.916 -3.653 1.00 0.00 C ATOM 496 C LEU A 30 94.567 -9.093 -3.718 1.00 0.00 C ATOM 497 O LEU A 30 94.870 -8.453 -4.705 1.00 0.00 O ATOM 498 CB LEU A 30 92.079 -8.989 -3.530 1.00 0.00 C ATOM 499 CG LEU A 30 90.801 -9.826 -3.455 1.00 0.00 C ATOM 500 CD1 LEU A 30 89.604 -8.909 -3.191 1.00 0.00 C ATOM 501 CD2 LEU A 30 90.595 -10.562 -4.780 1.00 0.00 C ATOM 0 H LEU A 30 92.920 -10.484 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 30 93.196 -10.502 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.172 -8.368 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.035 -8.315 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 30 90.889 -10.551 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 30 88.693 -9.506 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 30 89.749 -8.384 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 30 89.516 -8.184 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 30 89.684 -11.159 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 30 90.507 -9.837 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 30 91.446 -11.216 -4.969 1.00 0.00 H new ATOM 513 N ALA A 31 95.310 -9.118 -2.669 1.00 0.00 N ATOM 514 CA ALA A 31 96.586 -8.348 -2.625 1.00 0.00 C ATOM 515 C ALA A 31 97.716 -9.190 -3.219 1.00 0.00 C ATOM 516 O ALA A 31 98.568 -8.690 -3.928 1.00 0.00 O ATOM 517 CB ALA A 31 96.926 -7.994 -1.177 1.00 0.00 C ATOM 0 H ALA A 31 95.095 -9.643 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 31 96.470 -7.432 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 31 97.859 -7.431 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.125 -7.389 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.037 -8.909 -0.595 1.00 0.00 H new ATOM 523 N ALA A 32 97.734 -10.464 -2.931 1.00 0.00 N ATOM 524 CA ALA A 32 98.812 -11.339 -3.473 1.00 0.00 C ATOM 525 C ALA A 32 99.136 -10.927 -4.911 1.00 0.00 C ATOM 526 O ALA A 32 100.240 -11.106 -5.384 1.00 0.00 O ATOM 527 CB ALA A 32 98.344 -12.796 -3.455 1.00 0.00 C ATOM 0 H ALA A 32 97.047 -10.936 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 32 99.705 -11.234 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 32 99.132 -13.436 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 32 98.116 -13.092 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 32 97.450 -12.899 -4.070 1.00 0.00 H new ATOM 533 N HIS A 33 98.183 -10.372 -5.608 1.00 0.00 N ATOM 534 CA HIS A 33 98.441 -9.946 -7.012 1.00 0.00 C ATOM 535 C HIS A 33 99.382 -8.739 -7.007 1.00 0.00 C ATOM 536 O HIS A 33 99.228 -7.815 -7.779 1.00 0.00 O ATOM 537 CB HIS A 33 97.121 -9.561 -7.681 1.00 0.00 C ATOM 538 CG HIS A 33 96.171 -10.725 -7.622 1.00 0.00 C ATOM 539 ND1 HIS A 33 94.818 -10.592 -7.906 1.00 0.00 N ATOM 540 CD2 HIS A 33 96.360 -12.049 -7.313 1.00 0.00 C ATOM 541 CE1 HIS A 33 94.253 -11.804 -7.764 1.00 0.00 C ATOM 542 NE2 HIS A 33 95.149 -12.725 -7.405 1.00 0.00 N ATOM 0 H HIS A 33 97.238 -10.195 -5.267 1.00 0.00 H new ATOM 0 HA HIS A 33 98.899 -10.766 -7.565 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.685 -8.697 -7.180 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.297 -9.273 -8.718 1.00 0.00 H new ATOM 0 HD2 HIS A 33 97.304 -12.497 -7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.204 -12.007 -7.921 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.981 -13.716 -7.234 1.00 0.00 H new ATOM 550 N ASP A 34 100.356 -8.742 -6.137 1.00 0.00 N ATOM 551 CA ASP A 34 101.307 -7.595 -6.076 1.00 0.00 C ATOM 552 C ASP A 34 101.707 -7.184 -7.495 1.00 0.00 C ATOM 553 O ASP A 34 102.668 -7.678 -8.048 1.00 0.00 O ATOM 554 CB ASP A 34 102.554 -8.009 -5.289 1.00 0.00 C ATOM 555 CG ASP A 34 103.122 -6.795 -4.553 1.00 0.00 C ATOM 556 OD1 ASP A 34 102.897 -5.688 -5.013 1.00 0.00 O ATOM 557 OD2 ASP A 34 103.775 -6.993 -3.540 1.00 0.00 O ATOM 0 H ASP A 34 100.534 -9.489 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 34 100.828 -6.751 -5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 34 102.302 -8.794 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 34 103.303 -8.420 -5.965 1.00 0.00 H new ATOM 562 N ASN A 35 100.973 -6.282 -8.088 1.00 0.00 N ATOM 563 CA ASN A 35 101.304 -5.832 -9.467 1.00 0.00 C ATOM 564 C ASN A 35 100.911 -4.362 -9.623 1.00 0.00 C ATOM 565 O ASN A 35 100.337 -3.966 -10.619 1.00 0.00 O ATOM 566 CB ASN A 35 100.532 -6.679 -10.480 1.00 0.00 C ATOM 567 CG ASN A 35 101.034 -8.124 -10.428 1.00 0.00 C ATOM 568 OD1 ASN A 35 100.956 -8.769 -9.402 1.00 0.00 O ATOM 569 ND2 ASN A 35 101.551 -8.661 -11.499 1.00 0.00 N ATOM 0 H ASN A 35 100.155 -5.836 -7.673 1.00 0.00 H new ATOM 0 HA ASN A 35 102.374 -5.946 -9.644 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.465 -6.646 -10.259 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.663 -6.274 -11.483 1.00 0.00 H new ATOM 0 HD21 ASN A 35 101.890 -9.623 -11.475 1.00 0.00 H new ATOM 0 HD22 ASN A 35 101.616 -8.119 -12.361 1.00 0.00 H new ATOM 576 N LEU A 36 101.198 -3.550 -8.641 1.00 0.00 N ATOM 577 CA LEU A 36 100.819 -2.112 -8.732 1.00 0.00 C ATOM 578 C LEU A 36 101.952 -1.297 -9.364 1.00 0.00 C ATOM 579 O LEU A 36 103.089 -1.735 -9.443 1.00 0.00 O ATOM 580 CB LEU A 36 100.507 -1.569 -7.330 1.00 0.00 C ATOM 581 CG LEU A 36 101.794 -1.463 -6.500 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.681 -0.282 -5.534 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.000 -2.754 -5.698 1.00 0.00 C ATOM 0 H LEU A 36 101.677 -3.820 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 36 99.933 -2.023 -9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.036 -0.589 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.796 -2.226 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 36 102.642 -1.312 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.594 -0.206 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.537 0.638 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.831 -0.436 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.914 -2.675 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.152 -2.907 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.080 -3.599 -6.382 1.00 0.00 H new ATOM 595 N LYS A 37 101.642 -0.108 -9.806 1.00 0.00 N ATOM 596 CA LYS A 37 102.674 0.766 -10.433 1.00 0.00 C ATOM 597 C LYS A 37 103.041 1.886 -9.456 1.00 0.00 C ATOM 598 O LYS A 37 102.182 2.494 -8.847 1.00 0.00 O ATOM 599 CB LYS A 37 102.107 1.374 -11.723 1.00 0.00 C ATOM 600 CG LYS A 37 102.926 0.895 -12.925 1.00 0.00 C ATOM 601 CD LYS A 37 102.323 1.461 -14.212 1.00 0.00 C ATOM 602 CE LYS A 37 103.161 1.012 -15.410 1.00 0.00 C ATOM 603 NZ LYS A 37 102.883 1.903 -16.573 1.00 0.00 N ATOM 0 H LYS A 37 100.708 0.299 -9.759 1.00 0.00 H new ATOM 0 HA LYS A 37 103.563 0.181 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.063 1.085 -11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 37 102.132 2.462 -11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.962 1.217 -12.824 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.933 -0.194 -12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 37 101.295 1.118 -14.325 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.293 2.550 -14.164 1.00 0.00 H new ATOM 0 HE2 LYS A 37 104.221 1.045 -15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 37 102.926 -0.021 -15.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 103.678 1.859 -17.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 102.012 1.591 -17.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 102.765 2.881 -16.240 1.00 0.00 H new ATOM 617 N LEU A 38 104.307 2.165 -9.298 1.00 0.00 N ATOM 618 CA LEU A 38 104.719 3.244 -8.355 1.00 0.00 C ATOM 619 C LEU A 38 105.745 4.160 -9.025 1.00 0.00 C ATOM 620 O LEU A 38 106.746 3.710 -9.550 1.00 0.00 O ATOM 621 CB LEU A 38 105.342 2.623 -7.101 1.00 0.00 C ATOM 622 CG LEU A 38 104.684 1.272 -6.809 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.400 0.171 -7.597 1.00 0.00 C ATOM 624 CD2 LEU A 38 104.783 0.973 -5.310 1.00 0.00 C ATOM 0 H LEU A 38 105.072 1.693 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 38 103.840 3.826 -8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.415 2.492 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.213 3.292 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 38 103.636 1.306 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.930 -0.790 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 38 105.332 0.384 -8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.448 0.135 -7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.315 0.011 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.832 0.939 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.273 1.756 -4.748 1.00 0.00 H new ATOM 636 N THR A 39 105.512 5.444 -8.995 1.00 0.00 N ATOM 637 CA THR A 39 106.480 6.396 -9.609 1.00 0.00 C ATOM 638 C THR A 39 107.291 7.047 -8.489 1.00 0.00 C ATOM 639 O THR A 39 106.744 7.669 -7.602 1.00 0.00 O ATOM 640 CB THR A 39 105.721 7.471 -10.392 1.00 0.00 C ATOM 641 OG1 THR A 39 104.500 6.929 -10.873 1.00 0.00 O ATOM 642 CG2 THR A 39 106.571 7.945 -11.573 1.00 0.00 C ATOM 0 H THR A 39 104.691 5.875 -8.571 1.00 0.00 H new ATOM 0 HA THR A 39 107.144 5.868 -10.293 1.00 0.00 H new ATOM 0 HB THR A 39 105.512 8.317 -9.737 1.00 0.00 H new ATOM 0 HG1 THR A 39 104.012 7.616 -11.373 1.00 0.00 H new ATOM 0 HG21 THR A 39 106.028 8.710 -12.128 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.508 8.361 -11.203 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.783 7.102 -12.230 1.00 0.00 H new ATOM 650 N ILE A 40 108.586 6.895 -8.505 1.00 0.00 N ATOM 651 CA ILE A 40 109.412 7.493 -7.415 1.00 0.00 C ATOM 652 C ILE A 40 110.200 8.699 -7.929 1.00 0.00 C ATOM 653 O ILE A 40 110.977 8.603 -8.858 1.00 0.00 O ATOM 654 CB ILE A 40 110.387 6.442 -6.885 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.596 5.301 -6.235 1.00 0.00 C ATOM 656 CG2 ILE A 40 111.304 7.082 -5.840 1.00 0.00 C ATOM 657 CD1 ILE A 40 109.150 4.291 -7.299 1.00 0.00 C ATOM 0 H ILE A 40 109.107 6.387 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 40 108.747 7.825 -6.618 1.00 0.00 H new ATOM 0 HB ILE A 40 110.987 6.051 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.212 4.803 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.725 5.702 -5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 40 112.000 6.334 -5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.862 7.899 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.703 7.469 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.589 3.486 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.517 4.791 -8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.026 3.877 -7.798 1.00 0.00 H new ATOM 669 N THR A 41 110.014 9.834 -7.306 1.00 0.00 N ATOM 670 CA THR A 41 110.755 11.055 -7.717 1.00 0.00 C ATOM 671 C THR A 41 111.581 11.536 -6.523 1.00 0.00 C ATOM 672 O THR A 41 111.228 11.299 -5.384 1.00 0.00 O ATOM 673 CB THR A 41 109.765 12.146 -8.131 1.00 0.00 C ATOM 674 OG1 THR A 41 108.620 11.545 -8.719 1.00 0.00 O ATOM 675 CG2 THR A 41 110.429 13.084 -9.140 1.00 0.00 C ATOM 0 H THR A 41 109.373 9.964 -6.523 1.00 0.00 H new ATOM 0 HA THR A 41 111.406 10.834 -8.563 1.00 0.00 H new ATOM 0 HB THR A 41 109.464 12.717 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 41 107.984 12.242 -8.983 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.723 13.861 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.306 13.544 -8.686 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.731 12.516 -10.020 1.00 0.00 H new ATOM 683 N GLN A 42 112.680 12.195 -6.762 1.00 0.00 N ATOM 684 CA GLN A 42 113.518 12.668 -5.621 1.00 0.00 C ATOM 685 C GLN A 42 113.923 14.129 -5.833 1.00 0.00 C ATOM 686 O GLN A 42 114.094 14.580 -6.948 1.00 0.00 O ATOM 687 CB GLN A 42 114.777 11.803 -5.521 1.00 0.00 C ATOM 688 CG GLN A 42 115.732 12.155 -6.664 1.00 0.00 C ATOM 689 CD GLN A 42 116.868 11.132 -6.713 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.032 10.345 -5.803 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.667 11.111 -7.745 1.00 0.00 N ATOM 0 H GLN A 42 113.034 12.426 -7.690 1.00 0.00 H new ATOM 0 HA GLN A 42 112.940 12.588 -4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.267 11.965 -4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 42 114.510 10.747 -5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 42 115.194 12.163 -7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 42 116.136 13.157 -6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.530 11.772 -8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.429 10.434 -7.787 1.00 0.00 H new ATOM 700 N GLU A 43 114.087 14.869 -4.769 1.00 0.00 N ATOM 701 CA GLU A 43 114.492 16.296 -4.906 1.00 0.00 C ATOM 702 C GLU A 43 115.356 16.691 -3.706 1.00 0.00 C ATOM 703 O GLU A 43 114.893 17.319 -2.775 1.00 0.00 O ATOM 704 CB GLU A 43 113.245 17.182 -4.954 1.00 0.00 C ATOM 705 CG GLU A 43 112.472 16.907 -6.245 1.00 0.00 C ATOM 706 CD GLU A 43 111.308 17.892 -6.363 1.00 0.00 C ATOM 707 OE1 GLU A 43 111.224 18.559 -7.381 1.00 0.00 O ATOM 708 OE2 GLU A 43 110.519 17.961 -5.435 1.00 0.00 O ATOM 0 H GLU A 43 113.958 14.545 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 43 115.061 16.428 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.612 16.984 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 43 113.531 18.233 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 43 113.134 17.005 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 43 112.097 15.883 -6.246 1.00 0.00 H new ATOM 715 N GLY A 44 116.610 16.328 -3.722 1.00 0.00 N ATOM 716 CA GLY A 44 117.504 16.680 -2.584 1.00 0.00 C ATOM 717 C GLY A 44 117.021 15.979 -1.311 1.00 0.00 C ATOM 718 O GLY A 44 117.390 14.855 -1.031 1.00 0.00 O ATOM 0 H GLY A 44 117.054 15.802 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.528 16.382 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.511 17.760 -2.435 1.00 0.00 H new ATOM 722 N ASN A 45 116.201 16.638 -0.538 1.00 0.00 N ATOM 723 CA ASN A 45 115.691 16.022 0.723 1.00 0.00 C ATOM 724 C ASN A 45 114.165 15.987 0.688 1.00 0.00 C ATOM 725 O ASN A 45 113.508 16.018 1.709 1.00 0.00 O ATOM 726 CB ASN A 45 116.163 16.838 1.928 1.00 0.00 C ATOM 727 CG ASN A 45 116.412 18.285 1.501 1.00 0.00 C ATOM 728 OD1 ASN A 45 115.871 18.741 0.514 1.00 0.00 O ATOM 729 ND2 ASN A 45 117.216 19.032 2.208 1.00 0.00 N ATOM 0 H ASN A 45 115.860 17.581 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 45 116.076 15.006 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.413 16.805 2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 45 117.077 16.406 2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 45 117.390 19.998 1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 45 117.671 18.649 3.037 1.00 0.00 H new ATOM 736 N LYS A 46 113.597 15.913 -0.480 1.00 0.00 N ATOM 737 CA LYS A 46 112.134 15.864 -0.601 1.00 0.00 C ATOM 738 C LYS A 46 111.809 14.878 -1.711 1.00 0.00 C ATOM 739 O LYS A 46 112.055 15.119 -2.876 1.00 0.00 O ATOM 740 CB LYS A 46 111.611 17.257 -0.962 1.00 0.00 C ATOM 741 CG LYS A 46 110.159 17.162 -1.442 1.00 0.00 C ATOM 742 CD LYS A 46 110.083 17.458 -2.945 1.00 0.00 C ATOM 743 CE LYS A 46 108.632 17.735 -3.342 1.00 0.00 C ATOM 744 NZ LYS A 46 108.372 19.202 -3.282 1.00 0.00 N ATOM 0 H LYS A 46 114.102 15.884 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 46 111.668 15.553 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 46 111.674 17.914 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 46 112.233 17.697 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 46 109.765 16.166 -1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 46 109.538 17.869 -0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 46 110.707 18.318 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 46 110.470 16.612 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 46 108.441 17.362 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 46 107.953 17.207 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 107.386 19.391 -3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 108.538 19.545 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 109.011 19.695 -3.938 1.00 0.00 H new ATOM 758 N PHE A 47 111.273 13.765 -1.345 1.00 0.00 N ATOM 759 CA PHE A 47 110.934 12.724 -2.351 1.00 0.00 C ATOM 760 C PHE A 47 109.432 12.733 -2.617 1.00 0.00 C ATOM 761 O PHE A 47 108.676 13.422 -1.960 1.00 0.00 O ATOM 762 CB PHE A 47 111.349 11.351 -1.820 1.00 0.00 C ATOM 763 CG PHE A 47 112.846 11.197 -1.937 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.695 11.998 -1.164 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.386 10.252 -2.820 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.084 11.854 -1.273 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.774 10.109 -2.928 1.00 0.00 C ATOM 768 CZ PHE A 47 115.623 10.910 -2.154 1.00 0.00 C ATOM 0 H PHE A 47 111.049 13.521 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 47 111.465 12.934 -3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.042 11.244 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.847 10.565 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.279 12.727 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.731 9.634 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.739 12.472 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 47 115.190 9.381 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.694 10.799 -2.237 1.00 0.00 H new ATOM 778 N THR A 48 108.995 11.966 -3.575 1.00 0.00 N ATOM 779 CA THR A 48 107.550 11.920 -3.886 1.00 0.00 C ATOM 780 C THR A 48 107.233 10.579 -4.541 1.00 0.00 C ATOM 781 O THR A 48 107.519 10.354 -5.701 1.00 0.00 O ATOM 782 CB THR A 48 107.207 13.050 -4.855 1.00 0.00 C ATOM 783 OG1 THR A 48 107.602 14.292 -4.292 1.00 0.00 O ATOM 784 CG2 THR A 48 105.700 13.061 -5.120 1.00 0.00 C ATOM 0 H THR A 48 109.583 11.368 -4.156 1.00 0.00 H new ATOM 0 HA THR A 48 106.967 12.036 -2.972 1.00 0.00 H new ATOM 0 HB THR A 48 107.736 12.894 -5.795 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.384 15.017 -4.914 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.458 13.868 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.400 12.108 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.167 13.215 -4.182 1.00 0.00 H new ATOM 792 N VAL A 49 106.646 9.688 -3.804 1.00 0.00 N ATOM 793 CA VAL A 49 106.304 8.353 -4.367 1.00 0.00 C ATOM 794 C VAL A 49 104.837 8.343 -4.800 1.00 0.00 C ATOM 795 O VAL A 49 103.939 8.373 -3.984 1.00 0.00 O ATOM 796 CB VAL A 49 106.530 7.278 -3.302 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.176 5.906 -3.880 1.00 0.00 C ATOM 798 CG2 VAL A 49 107.998 7.287 -2.873 1.00 0.00 C ATOM 0 H VAL A 49 106.385 9.824 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 49 106.938 8.148 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 49 105.898 7.483 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.337 5.139 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.130 5.899 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.809 5.701 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.160 6.521 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.631 7.082 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.251 8.264 -2.462 1.00 0.00 H new ATOM 808 N LYS A 50 104.588 8.301 -6.080 1.00 0.00 N ATOM 809 CA LYS A 50 103.180 8.289 -6.564 1.00 0.00 C ATOM 810 C LYS A 50 102.735 6.848 -6.814 1.00 0.00 C ATOM 811 O LYS A 50 103.043 6.260 -7.832 1.00 0.00 O ATOM 812 CB LYS A 50 103.078 9.087 -7.867 1.00 0.00 C ATOM 813 CG LYS A 50 101.606 9.325 -8.209 1.00 0.00 C ATOM 814 CD LYS A 50 101.492 10.492 -9.191 1.00 0.00 C ATOM 815 CE LYS A 50 100.079 10.531 -9.776 1.00 0.00 C ATOM 816 NZ LYS A 50 99.118 9.967 -8.788 1.00 0.00 N ATOM 0 H LYS A 50 105.299 8.274 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 50 102.536 8.742 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.596 10.040 -7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.567 8.545 -8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.173 8.425 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.042 9.543 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.713 11.431 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.225 10.382 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.804 11.556 -10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 50 100.042 9.959 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.145 10.175 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 99.248 8.937 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.288 10.394 -7.855 1.00 0.00 H new ATOM 830 N GLU A 51 102.004 6.272 -5.897 1.00 0.00 N ATOM 831 CA GLU A 51 101.535 4.873 -6.091 1.00 0.00 C ATOM 832 C GLU A 51 100.415 4.867 -7.132 1.00 0.00 C ATOM 833 O GLU A 51 99.788 5.877 -7.383 1.00 0.00 O ATOM 834 CB GLU A 51 101.006 4.319 -4.767 1.00 0.00 C ATOM 835 CG GLU A 51 102.154 4.215 -3.761 1.00 0.00 C ATOM 836 CD GLU A 51 102.355 5.566 -3.072 1.00 0.00 C ATOM 837 OE1 GLU A 51 101.691 6.513 -3.462 1.00 0.00 O ATOM 838 OE2 GLU A 51 103.168 5.631 -2.165 1.00 0.00 O ATOM 0 H GLU A 51 101.713 6.711 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 51 102.362 4.251 -6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.223 4.969 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.557 3.338 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 51 101.933 3.447 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 51 103.070 3.914 -4.269 1.00 0.00 H new ATOM 845 N SER A 52 100.148 3.741 -7.735 1.00 0.00 N ATOM 846 CA SER A 52 99.069 3.687 -8.746 1.00 0.00 C ATOM 847 C SER A 52 98.629 2.245 -8.929 1.00 0.00 C ATOM 848 O SER A 52 99.308 1.435 -9.527 1.00 0.00 O ATOM 849 CB SER A 52 99.583 4.239 -10.074 1.00 0.00 C ATOM 850 OG SER A 52 100.387 5.384 -9.827 1.00 0.00 O ATOM 0 H SER A 52 100.633 2.860 -7.568 1.00 0.00 H new ATOM 0 HA SER A 52 98.223 4.288 -8.412 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.163 3.479 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.746 4.501 -10.721 1.00 0.00 H new ATOM 0 HG SER A 52 100.044 5.862 -9.043 1.00 0.00 H new ATOM 856 N SER A 53 97.478 1.938 -8.426 1.00 0.00 N ATOM 857 CA SER A 53 96.932 0.567 -8.558 1.00 0.00 C ATOM 858 C SER A 53 95.541 0.664 -9.183 1.00 0.00 C ATOM 859 O SER A 53 94.799 1.592 -8.925 1.00 0.00 O ATOM 860 CB SER A 53 96.831 -0.083 -7.177 1.00 0.00 C ATOM 861 OG SER A 53 95.651 -0.872 -7.114 1.00 0.00 O ATOM 0 H SER A 53 96.879 2.590 -7.919 1.00 0.00 H new ATOM 0 HA SER A 53 97.586 -0.039 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.707 -0.703 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 53 96.811 0.683 -6.402 1.00 0.00 H new ATOM 0 HG SER A 53 95.584 -1.291 -6.231 1.00 0.00 H new ATOM 867 N ALA A 54 95.182 -0.277 -10.003 1.00 0.00 N ATOM 868 CA ALA A 54 93.841 -0.230 -10.644 1.00 0.00 C ATOM 869 C ALA A 54 92.753 -0.197 -9.566 1.00 0.00 C ATOM 870 O ALA A 54 91.582 -0.329 -9.859 1.00 0.00 O ATOM 871 CB ALA A 54 93.651 -1.470 -11.519 1.00 0.00 C ATOM 0 H ALA A 54 95.759 -1.079 -10.259 1.00 0.00 H new ATOM 0 HA ALA A 54 93.767 0.667 -11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.668 -1.436 -11.989 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.421 -1.493 -12.290 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.728 -2.366 -10.902 1.00 0.00 H new ATOM 877 N PHE A 55 93.125 -0.046 -8.319 1.00 0.00 N ATOM 878 CA PHE A 55 92.097 -0.035 -7.241 1.00 0.00 C ATOM 879 C PHE A 55 92.189 1.232 -6.379 1.00 0.00 C ATOM 880 O PHE A 55 91.244 1.574 -5.697 1.00 0.00 O ATOM 881 CB PHE A 55 92.292 -1.265 -6.352 1.00 0.00 C ATOM 882 CG PHE A 55 91.444 -1.134 -5.109 1.00 0.00 C ATOM 883 CD1 PHE A 55 92.037 -1.235 -3.844 1.00 0.00 C ATOM 884 CD2 PHE A 55 90.065 -0.911 -5.219 1.00 0.00 C ATOM 885 CE1 PHE A 55 91.252 -1.113 -2.690 1.00 0.00 C ATOM 886 CE2 PHE A 55 89.281 -0.789 -4.066 1.00 0.00 C ATOM 887 CZ PHE A 55 89.875 -0.890 -2.802 1.00 0.00 C ATOM 0 H PHE A 55 94.089 0.069 -8.006 1.00 0.00 H new ATOM 0 HA PHE A 55 91.113 -0.051 -7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 55 92.017 -2.168 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.342 -1.365 -6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 55 93.100 -1.407 -3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 55 89.607 -0.833 -6.194 1.00 0.00 H new ATOM 0 HE1 PHE A 55 91.709 -1.191 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 55 88.218 -0.617 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 55 89.270 -0.796 -1.913 1.00 0.00 H new ATOM 897 N ARG A 56 93.296 1.935 -6.376 1.00 0.00 N ATOM 898 CA ARG A 56 93.371 3.156 -5.522 1.00 0.00 C ATOM 899 C ARG A 56 94.762 3.774 -5.613 1.00 0.00 C ATOM 900 O ARG A 56 95.600 3.577 -4.755 1.00 0.00 O ATOM 901 CB ARG A 56 93.088 2.780 -4.066 1.00 0.00 C ATOM 902 CG ARG A 56 93.852 1.503 -3.709 1.00 0.00 C ATOM 903 CD ARG A 56 93.478 1.063 -2.296 1.00 0.00 C ATOM 904 NE ARG A 56 94.111 1.980 -1.307 1.00 0.00 N ATOM 905 CZ ARG A 56 93.601 2.105 -0.112 1.00 0.00 C ATOM 906 NH1 ARG A 56 94.154 2.912 0.753 1.00 0.00 N ATOM 907 NH2 ARG A 56 92.540 1.421 0.220 1.00 0.00 N ATOM 0 H ARG A 56 94.134 1.720 -6.917 1.00 0.00 H new ATOM 0 HA ARG A 56 92.631 3.876 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.389 3.593 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 56 92.018 2.629 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 56 93.615 0.713 -4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 56 94.926 1.679 -3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 56 92.395 1.072 -2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 56 93.809 0.039 -2.123 1.00 0.00 H new ATOM 0 HE ARG A 56 94.943 2.510 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 56 94.985 3.445 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 56 93.755 3.010 1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 56 92.109 0.789 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 56 92.142 1.519 1.154 1.00 0.00 H new ATOM 921 N ASN A 57 95.016 4.530 -6.638 1.00 0.00 N ATOM 922 CA ASN A 57 96.355 5.166 -6.771 1.00 0.00 C ATOM 923 C ASN A 57 96.570 6.124 -5.598 1.00 0.00 C ATOM 924 O ASN A 57 95.642 6.738 -5.109 1.00 0.00 O ATOM 925 CB ASN A 57 96.424 5.944 -8.087 1.00 0.00 C ATOM 926 CG ASN A 57 95.365 7.048 -8.084 1.00 0.00 C ATOM 927 OD1 ASN A 57 95.679 8.209 -8.255 1.00 0.00 O ATOM 928 ND2 ASN A 57 94.112 6.732 -7.897 1.00 0.00 N ATOM 0 H ASN A 57 94.358 4.736 -7.389 1.00 0.00 H new ATOM 0 HA ASN A 57 97.129 4.399 -6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.416 6.378 -8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.260 5.271 -8.929 1.00 0.00 H new ATOM 0 HD21 ASN A 57 93.397 7.460 -7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 57 93.848 5.757 -7.753 1.00 0.00 H new ATOM 935 N ILE A 58 97.784 6.243 -5.127 1.00 0.00 N ATOM 936 CA ILE A 58 98.048 7.144 -3.972 1.00 0.00 C ATOM 937 C ILE A 58 99.318 7.954 -4.207 1.00 0.00 C ATOM 938 O ILE A 58 100.040 7.756 -5.165 1.00 0.00 O ATOM 939 CB ILE A 58 98.235 6.324 -2.703 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.351 5.082 -2.750 1.00 0.00 C ATOM 941 CG2 ILE A 58 97.858 7.169 -1.480 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.302 4.469 -1.354 1.00 0.00 C ATOM 0 H ILE A 58 98.601 5.755 -5.493 1.00 0.00 H new ATOM 0 HA ILE A 58 97.195 7.815 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 58 99.279 6.021 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.347 5.344 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.747 4.362 -3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 58 97.993 6.578 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.496 8.051 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.816 7.479 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.673 3.579 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.310 4.196 -1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 58 96.888 5.194 -0.653 1.00 0.00 H new ATOM 954 N GLU A 59 99.588 8.862 -3.318 1.00 0.00 N ATOM 955 CA GLU A 59 100.808 9.706 -3.436 1.00 0.00 C ATOM 956 C GLU A 59 101.319 10.034 -2.033 1.00 0.00 C ATOM 957 O GLU A 59 100.549 10.219 -1.112 1.00 0.00 O ATOM 958 CB GLU A 59 100.470 11.001 -4.181 1.00 0.00 C ATOM 959 CG GLU A 59 99.808 11.992 -3.219 1.00 0.00 C ATOM 960 CD GLU A 59 98.929 12.962 -4.009 1.00 0.00 C ATOM 961 OE1 GLU A 59 98.056 12.495 -4.721 1.00 0.00 O ATOM 962 OE2 GLU A 59 99.143 14.157 -3.888 1.00 0.00 O ATOM 0 H GLU A 59 99.008 9.060 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 59 101.577 9.169 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.376 11.437 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.802 10.788 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.207 11.456 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.570 12.542 -2.667 1.00 0.00 H new ATOM 969 N CYS A 60 102.608 10.097 -1.856 1.00 0.00 N ATOM 970 CA CYS A 60 103.149 10.401 -0.503 1.00 0.00 C ATOM 971 C CYS A 60 104.463 11.174 -0.622 1.00 0.00 C ATOM 972 O CYS A 60 105.478 10.636 -1.020 1.00 0.00 O ATOM 973 CB CYS A 60 103.399 9.089 0.246 1.00 0.00 C ATOM 974 SG CYS A 60 101.995 8.727 1.328 1.00 0.00 S ATOM 0 H CYS A 60 103.307 9.952 -2.585 1.00 0.00 H new ATOM 0 HA CYS A 60 102.427 11.009 0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.542 8.275 -0.465 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.314 9.163 0.834 1.00 0.00 H new ATOM 980 N VAL A 61 104.459 12.424 -0.254 1.00 0.00 N ATOM 981 CA VAL A 61 105.709 13.223 -0.314 1.00 0.00 C ATOM 982 C VAL A 61 106.427 13.064 1.022 1.00 0.00 C ATOM 983 O VAL A 61 105.794 12.929 2.052 1.00 0.00 O ATOM 984 CB VAL A 61 105.368 14.696 -0.545 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.430 15.341 -1.434 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.002 14.801 -1.227 1.00 0.00 C ATOM 0 H VAL A 61 103.640 12.927 0.087 1.00 0.00 H new ATOM 0 HA VAL A 61 106.343 12.881 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 61 105.340 15.213 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.182 16.390 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.403 15.269 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.464 14.825 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 61 103.758 15.850 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.032 14.280 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.242 14.347 -0.591 1.00 0.00 H new ATOM 996 N PHE A 62 107.729 13.062 1.039 1.00 0.00 N ATOM 997 CA PHE A 62 108.414 12.891 2.350 1.00 0.00 C ATOM 998 C PHE A 62 109.862 13.378 2.295 1.00 0.00 C ATOM 999 O PHE A 62 110.498 13.388 1.261 1.00 0.00 O ATOM 1000 CB PHE A 62 108.380 11.410 2.742 1.00 0.00 C ATOM 1001 CG PHE A 62 109.463 10.652 2.008 1.00 0.00 C ATOM 1002 CD1 PHE A 62 110.794 10.745 2.433 1.00 0.00 C ATOM 1003 CD2 PHE A 62 109.133 9.852 0.908 1.00 0.00 C ATOM 1004 CE1 PHE A 62 111.795 10.037 1.757 1.00 0.00 C ATOM 1005 CE2 PHE A 62 110.134 9.144 0.232 1.00 0.00 C ATOM 1006 CZ PHE A 62 111.465 9.237 0.656 1.00 0.00 C ATOM 0 H PHE A 62 108.336 13.168 0.226 1.00 0.00 H new ATOM 0 HA PHE A 62 107.890 13.491 3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 62 108.520 11.308 3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 62 107.404 10.986 2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 62 111.048 11.363 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 62 108.106 9.781 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 62 112.822 10.108 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 62 109.879 8.526 -0.616 1.00 0.00 H new ATOM 0 HZ PHE A 62 112.237 8.692 0.134 1.00 0.00 H new ATOM 1016 N GLU A 63 110.384 13.775 3.428 1.00 0.00 N ATOM 1017 CA GLU A 63 111.791 14.259 3.498 1.00 0.00 C ATOM 1018 C GLU A 63 112.505 13.511 4.628 1.00 0.00 C ATOM 1019 O GLU A 63 112.077 13.538 5.764 1.00 0.00 O ATOM 1020 CB GLU A 63 111.795 15.762 3.792 1.00 0.00 C ATOM 1021 CG GLU A 63 113.156 16.174 4.360 1.00 0.00 C ATOM 1022 CD GLU A 63 113.415 17.651 4.058 1.00 0.00 C ATOM 1023 OE1 GLU A 63 114.503 18.115 4.357 1.00 0.00 O ATOM 1024 OE2 GLU A 63 112.520 18.294 3.534 1.00 0.00 O ATOM 0 H GLU A 63 109.886 13.783 4.318 1.00 0.00 H new ATOM 0 HA GLU A 63 112.301 14.079 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 63 111.587 16.321 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 63 111.005 16.005 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 63 113.178 16.004 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 63 113.944 15.560 3.924 1.00 0.00 H new ATOM 1031 N LEU A 64 113.581 12.838 4.331 1.00 0.00 N ATOM 1032 CA LEU A 64 114.297 12.084 5.400 1.00 0.00 C ATOM 1033 C LEU A 64 114.687 13.035 6.535 1.00 0.00 C ATOM 1034 O LEU A 64 115.316 14.051 6.319 1.00 0.00 O ATOM 1035 CB LEU A 64 115.554 11.428 4.815 1.00 0.00 C ATOM 1036 CG LEU A 64 116.577 12.504 4.431 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.605 12.663 5.556 1.00 0.00 C ATOM 1038 CD2 LEU A 64 117.296 12.084 3.146 1.00 0.00 C ATOM 0 H LEU A 64 113.995 12.777 3.401 1.00 0.00 H new ATOM 0 HA LEU A 64 113.639 11.310 5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 64 115.990 10.744 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.291 10.836 3.939 1.00 0.00 H new ATOM 0 HG LEU A 64 116.063 13.452 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.331 13.428 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 64 117.097 12.959 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.120 11.715 5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 64 118.024 12.847 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.808 11.136 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 64 116.568 11.970 2.343 1.00 0.00 H new ATOM 1050 N GLY A 65 114.319 12.707 7.747 1.00 0.00 N ATOM 1051 CA GLY A 65 114.670 13.586 8.902 1.00 0.00 C ATOM 1052 C GLY A 65 113.404 14.210 9.498 1.00 0.00 C ATOM 1053 O GLY A 65 113.472 15.009 10.412 1.00 0.00 O ATOM 0 H GLY A 65 113.790 11.868 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 65 115.191 13.006 9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.352 14.371 8.576 1.00 0.00 H new ATOM 1057 N VAL A 66 112.250 13.859 8.997 1.00 0.00 N ATOM 1058 CA VAL A 66 110.993 14.445 9.548 1.00 0.00 C ATOM 1059 C VAL A 66 109.880 13.392 9.533 1.00 0.00 C ATOM 1060 O VAL A 66 109.434 12.968 8.488 1.00 0.00 O ATOM 1061 CB VAL A 66 110.574 15.643 8.696 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.426 16.383 9.383 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.765 16.591 8.532 1.00 0.00 C ATOM 0 H VAL A 66 112.123 13.195 8.233 1.00 0.00 H new ATOM 0 HA VAL A 66 111.166 14.770 10.574 1.00 0.00 H new ATOM 0 HB VAL A 66 110.246 15.295 7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.128 17.237 8.775 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.578 15.709 9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.753 16.732 10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.468 17.446 7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.092 16.938 9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.584 16.065 8.042 1.00 0.00 H new ATOM 1073 N THR A 67 109.427 12.972 10.684 1.00 0.00 N ATOM 1074 CA THR A 67 108.342 11.947 10.733 1.00 0.00 C ATOM 1075 C THR A 67 107.134 12.418 9.936 1.00 0.00 C ATOM 1076 O THR A 67 106.824 13.591 9.871 1.00 0.00 O ATOM 1077 CB THR A 67 107.914 11.713 12.183 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.047 11.818 13.034 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.290 10.320 12.324 1.00 0.00 C ATOM 0 H THR A 67 109.761 13.294 11.593 1.00 0.00 H new ATOM 0 HA THR A 67 108.723 11.021 10.303 1.00 0.00 H new ATOM 0 HB THR A 67 107.176 12.464 12.466 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.773 11.670 13.963 1.00 0.00 H new ATOM 0 HG21 THR A 67 106.987 10.160 13.359 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.417 10.245 11.675 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.021 9.563 12.038 1.00 0.00 H new ATOM 1087 N PHE A 68 106.442 11.491 9.352 1.00 0.00 N ATOM 1088 CA PHE A 68 105.225 11.827 8.568 1.00 0.00 C ATOM 1089 C PHE A 68 104.344 10.587 8.516 1.00 0.00 C ATOM 1090 O PHE A 68 104.601 9.614 9.196 1.00 0.00 O ATOM 1091 CB PHE A 68 105.596 12.264 7.147 1.00 0.00 C ATOM 1092 CG PHE A 68 106.909 11.644 6.744 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.012 10.259 6.585 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.022 12.461 6.524 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.234 9.690 6.204 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.242 11.893 6.148 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.347 10.506 5.987 1.00 0.00 C ATOM 0 H PHE A 68 106.669 10.497 9.383 1.00 0.00 H new ATOM 0 HA PHE A 68 104.697 12.654 9.043 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.814 11.965 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.667 13.351 7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.151 9.629 6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 68 107.939 13.531 6.645 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.316 8.620 6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.103 12.523 5.982 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.289 10.067 5.695 1.00 0.00 H new ATOM 1107 N ASN A 69 103.308 10.600 7.730 1.00 0.00 N ATOM 1108 CA ASN A 69 102.429 9.406 7.668 1.00 0.00 C ATOM 1109 C ASN A 69 102.112 9.059 6.213 1.00 0.00 C ATOM 1110 O ASN A 69 102.108 9.907 5.342 1.00 0.00 O ATOM 1111 CB ASN A 69 101.127 9.690 8.424 1.00 0.00 C ATOM 1112 CG ASN A 69 101.344 10.846 9.402 1.00 0.00 C ATOM 1113 OD1 ASN A 69 101.346 10.652 10.601 1.00 0.00 O ATOM 1114 ND2 ASN A 69 101.529 12.051 8.937 1.00 0.00 N ATOM 0 H ASN A 69 103.034 11.380 7.132 1.00 0.00 H new ATOM 0 HA ASN A 69 102.943 8.562 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.333 9.940 7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 69 100.806 8.799 8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 69 101.675 12.829 9.580 1.00 0.00 H new ATOM 0 HD22 ASN A 69 101.528 12.215 7.930 1.00 0.00 H new ATOM 1121 N CYS A 70 101.836 7.813 5.953 1.00 0.00 N ATOM 1122 CA CYS A 70 101.504 7.384 4.569 1.00 0.00 C ATOM 1123 C CYS A 70 100.693 6.093 4.649 1.00 0.00 C ATOM 1124 O CYS A 70 101.048 5.172 5.359 1.00 0.00 O ATOM 1125 CB CYS A 70 102.790 7.137 3.779 1.00 0.00 C ATOM 1126 SG CYS A 70 102.383 6.874 2.034 1.00 0.00 S ATOM 0 H CYS A 70 101.826 7.066 6.648 1.00 0.00 H new ATOM 0 HA CYS A 70 100.928 8.160 4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.463 7.988 3.883 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.313 6.267 4.177 1.00 0.00 H new ATOM 1132 N ASN A 71 99.597 6.019 3.950 1.00 0.00 N ATOM 1133 CA ASN A 71 98.767 4.786 4.019 1.00 0.00 C ATOM 1134 C ASN A 71 99.110 3.853 2.862 1.00 0.00 C ATOM 1135 O ASN A 71 99.417 4.284 1.767 1.00 0.00 O ATOM 1136 CB ASN A 71 97.286 5.162 3.953 1.00 0.00 C ATOM 1137 CG ASN A 71 97.086 6.275 2.922 1.00 0.00 C ATOM 1138 OD1 ASN A 71 96.161 7.056 3.026 1.00 0.00 O ATOM 1139 ND2 ASN A 71 97.921 6.381 1.924 1.00 0.00 N ATOM 0 H ASN A 71 99.241 6.753 3.338 1.00 0.00 H new ATOM 0 HA ASN A 71 98.973 4.273 4.959 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.690 4.290 3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.940 5.493 4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 71 97.797 7.120 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 71 98.697 5.725 1.837 1.00 0.00 H new ATOM 1146 N LEU A 72 99.057 2.570 3.098 1.00 0.00 N ATOM 1147 CA LEU A 72 99.377 1.599 2.014 1.00 0.00 C ATOM 1148 C LEU A 72 98.082 1.139 1.341 1.00 0.00 C ATOM 1149 O LEU A 72 97.047 1.027 1.972 1.00 0.00 O ATOM 1150 CB LEU A 72 100.101 0.387 2.605 1.00 0.00 C ATOM 1151 CG LEU A 72 101.499 0.798 3.072 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.981 -0.163 4.161 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.471 0.749 1.888 1.00 0.00 C ATOM 0 H LEU A 72 98.806 2.153 3.994 1.00 0.00 H new ATOM 0 HA LEU A 72 100.020 2.081 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.531 -0.016 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.174 -0.404 1.859 1.00 0.00 H new ATOM 0 HG LEU A 72 101.460 1.811 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.977 0.132 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.293 -0.130 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 72 102.017 -1.177 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.466 1.042 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.506 -0.264 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.133 1.434 1.111 1.00 0.00 H new ATOM 1165 N ALA A 73 98.139 0.869 0.063 1.00 0.00 N ATOM 1166 CA ALA A 73 96.922 0.416 -0.669 1.00 0.00 C ATOM 1167 C ALA A 73 96.141 -0.581 0.187 1.00 0.00 C ATOM 1168 O ALA A 73 94.928 -0.616 0.161 1.00 0.00 O ATOM 1169 CB ALA A 73 97.340 -0.257 -1.979 1.00 0.00 C ATOM 0 H ALA A 73 98.982 0.944 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 73 96.289 1.278 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.452 -0.589 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.891 0.454 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.975 -1.116 -1.760 1.00 0.00 H new ATOM 1175 N ASP A 74 96.824 -1.391 0.946 1.00 0.00 N ATOM 1176 CA ASP A 74 96.111 -2.380 1.801 1.00 0.00 C ATOM 1177 C ASP A 74 95.149 -1.641 2.731 1.00 0.00 C ATOM 1178 O ASP A 74 94.501 -2.235 3.571 1.00 0.00 O ATOM 1179 CB ASP A 74 97.129 -3.165 2.633 1.00 0.00 C ATOM 1180 CG ASP A 74 96.513 -4.493 3.073 1.00 0.00 C ATOM 1181 OD1 ASP A 74 97.116 -5.521 2.808 1.00 0.00 O ATOM 1182 OD2 ASP A 74 95.448 -4.463 3.668 1.00 0.00 O ATOM 0 H ASP A 74 97.842 -1.411 1.011 1.00 0.00 H new ATOM 0 HA ASP A 74 95.551 -3.072 1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 74 98.030 -3.346 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 74 97.427 -2.584 3.505 1.00 0.00 H new ATOM 1187 N GLY A 75 95.049 -0.347 2.589 1.00 0.00 N ATOM 1188 CA GLY A 75 94.129 0.433 3.463 1.00 0.00 C ATOM 1189 C GLY A 75 94.758 0.594 4.845 1.00 0.00 C ATOM 1190 O GLY A 75 94.073 0.768 5.833 1.00 0.00 O ATOM 0 H GLY A 75 95.566 0.204 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.934 1.411 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.169 -0.076 3.545 1.00 0.00 H new ATOM 1194 N THR A 76 96.060 0.535 4.927 1.00 0.00 N ATOM 1195 CA THR A 76 96.731 0.682 6.242 1.00 0.00 C ATOM 1196 C THR A 76 97.265 2.105 6.387 1.00 0.00 C ATOM 1197 O THR A 76 97.423 2.823 5.421 1.00 0.00 O ATOM 1198 CB THR A 76 97.891 -0.301 6.342 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.740 -1.316 5.359 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.920 -0.933 7.735 1.00 0.00 C ATOM 0 H THR A 76 96.686 0.391 4.135 1.00 0.00 H new ATOM 0 HA THR A 76 96.012 0.477 7.035 1.00 0.00 H new ATOM 0 HB THR A 76 98.827 0.231 6.173 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.487 -1.947 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.752 -1.635 7.799 1.00 0.00 H new ATOM 0 HG22 THR A 76 98.045 -0.153 8.486 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.984 -1.463 7.914 1.00 0.00 H new ATOM 1208 N GLU A 77 97.547 2.510 7.591 1.00 0.00 N ATOM 1209 CA GLU A 77 98.078 3.879 7.823 1.00 0.00 C ATOM 1210 C GLU A 77 99.280 3.804 8.768 1.00 0.00 C ATOM 1211 O GLU A 77 99.170 3.327 9.880 1.00 0.00 O ATOM 1212 CB GLU A 77 96.987 4.747 8.450 1.00 0.00 C ATOM 1213 CG GLU A 77 97.367 6.219 8.305 1.00 0.00 C ATOM 1214 CD GLU A 77 96.246 7.096 8.866 1.00 0.00 C ATOM 1215 OE1 GLU A 77 96.211 8.267 8.524 1.00 0.00 O ATOM 1216 OE2 GLU A 77 95.443 6.581 9.626 1.00 0.00 O ATOM 0 H GLU A 77 97.431 1.945 8.433 1.00 0.00 H new ATOM 0 HA GLU A 77 98.389 4.317 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.030 4.557 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.865 4.493 9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.298 6.419 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.540 6.459 7.256 1.00 0.00 H new ATOM 1223 N LEU A 78 100.430 4.266 8.344 1.00 0.00 N ATOM 1224 CA LEU A 78 101.626 4.205 9.241 1.00 0.00 C ATOM 1225 C LEU A 78 102.390 5.531 9.195 1.00 0.00 C ATOM 1226 O LEU A 78 102.232 6.324 8.289 1.00 0.00 O ATOM 1227 CB LEU A 78 102.561 3.079 8.791 1.00 0.00 C ATOM 1228 CG LEU A 78 101.742 1.869 8.335 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.500 1.952 6.827 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.514 0.585 8.654 1.00 0.00 C ATOM 0 H LEU A 78 100.592 4.679 7.425 1.00 0.00 H new ATOM 0 HA LEU A 78 101.284 4.016 10.259 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.196 3.426 7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.221 2.794 9.610 1.00 0.00 H new ATOM 0 HG LEU A 78 100.785 1.862 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.917 1.090 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.954 2.867 6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.457 1.959 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.933 -0.279 8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.470 0.596 8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.689 0.523 9.728 1.00 0.00 H new ATOM 1242 N ARG A 79 103.224 5.771 10.175 1.00 0.00 N ATOM 1243 CA ARG A 79 104.008 7.040 10.201 1.00 0.00 C ATOM 1244 C ARG A 79 105.399 6.774 10.783 1.00 0.00 C ATOM 1245 O ARG A 79 105.577 5.911 11.621 1.00 0.00 O ATOM 1246 CB ARG A 79 103.257 8.077 11.052 1.00 0.00 C ATOM 1247 CG ARG A 79 104.231 8.827 11.966 1.00 0.00 C ATOM 1248 CD ARG A 79 103.510 10.006 12.628 1.00 0.00 C ATOM 1249 NE ARG A 79 103.797 11.253 11.865 1.00 0.00 N ATOM 1250 CZ ARG A 79 103.102 12.333 12.096 1.00 0.00 C ATOM 1251 NH1 ARG A 79 103.354 13.426 11.429 1.00 0.00 N ATOM 1252 NH2 ARG A 79 102.155 12.321 12.994 1.00 0.00 N ATOM 0 H ARG A 79 103.395 5.141 10.959 1.00 0.00 H new ATOM 0 HA ARG A 79 104.125 7.427 9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 79 102.741 8.784 10.403 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.495 7.580 11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 79 104.623 8.153 12.728 1.00 0.00 H new ATOM 0 HG3 ARG A 79 105.083 9.186 11.389 1.00 0.00 H new ATOM 0 HD2 ARG A 79 102.436 9.822 12.654 1.00 0.00 H new ATOM 0 HD3 ARG A 79 103.840 10.115 13.661 1.00 0.00 H new ATOM 0 HE ARG A 79 104.536 11.263 11.162 1.00 0.00 H new ATOM 0 HH11 ARG A 79 104.094 13.436 10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 79 102.811 14.270 11.609 1.00 0.00 H new ATOM 0 HH21 ARG A 79 101.958 11.467 13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.612 13.166 13.174 1.00 0.00 H new ATOM 1266 N GLY A 80 106.390 7.505 10.334 1.00 0.00 N ATOM 1267 CA GLY A 80 107.760 7.302 10.844 1.00 0.00 C ATOM 1268 C GLY A 80 108.707 8.093 9.953 1.00 0.00 C ATOM 1269 O GLY A 80 108.614 9.297 9.860 1.00 0.00 O ATOM 0 H GLY A 80 106.296 8.237 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.837 7.638 11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.019 6.243 10.833 1.00 0.00 H new ATOM 1273 N THR A 81 109.597 7.437 9.271 1.00 0.00 N ATOM 1274 CA THR A 81 110.527 8.188 8.376 1.00 0.00 C ATOM 1275 C THR A 81 111.584 7.262 7.781 1.00 0.00 C ATOM 1276 O THR A 81 111.878 6.207 8.306 1.00 0.00 O ATOM 1277 CB THR A 81 111.240 9.290 9.175 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.786 9.279 10.520 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.952 10.651 8.546 1.00 0.00 C ATOM 0 H THR A 81 109.725 6.425 9.290 1.00 0.00 H new ATOM 0 HA THR A 81 109.937 8.622 7.569 1.00 0.00 H new ATOM 0 HB THR A 81 112.314 9.106 9.158 1.00 0.00 H new ATOM 0 HG1 THR A 81 109.942 9.773 10.584 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.459 11.430 9.115 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.313 10.660 7.517 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.878 10.836 8.555 1.00 0.00 H new ATOM 1287 N TRP A 82 112.176 7.677 6.695 1.00 0.00 N ATOM 1288 CA TRP A 82 113.243 6.856 6.061 1.00 0.00 C ATOM 1289 C TRP A 82 114.603 7.455 6.415 1.00 0.00 C ATOM 1290 O TRP A 82 114.766 8.658 6.465 1.00 0.00 O ATOM 1291 CB TRP A 82 113.088 6.854 4.538 1.00 0.00 C ATOM 1292 CG TRP A 82 111.656 6.653 4.175 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.726 7.628 4.139 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.980 5.424 3.785 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.516 7.081 3.765 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.620 5.722 3.532 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.410 4.094 3.633 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.718 4.732 3.139 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.507 3.096 3.236 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.163 3.414 2.990 1.00 0.00 C ATOM 0 H TRP A 82 111.965 8.554 6.218 1.00 0.00 H new ATOM 0 HA TRP A 82 113.165 5.832 6.427 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.448 7.797 4.126 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.697 6.062 4.103 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.900 8.669 4.366 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.651 7.614 3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.442 3.839 3.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.684 4.982 2.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.848 2.078 3.119 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.472 2.642 2.686 1.00 0.00 H new ATOM 1311 N SER A 83 115.578 6.629 6.659 1.00 0.00 N ATOM 1312 CA SER A 83 116.926 7.154 7.006 1.00 0.00 C ATOM 1313 C SER A 83 117.966 6.309 6.283 1.00 0.00 C ATOM 1314 O SER A 83 117.706 5.190 5.914 1.00 0.00 O ATOM 1315 CB SER A 83 117.141 7.063 8.519 1.00 0.00 C ATOM 1316 OG SER A 83 115.877 7.000 9.169 1.00 0.00 O ATOM 0 H SER A 83 115.501 5.612 6.633 1.00 0.00 H new ATOM 0 HA SER A 83 117.015 8.197 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 83 117.732 6.180 8.762 1.00 0.00 H new ATOM 0 HB3 SER A 83 117.702 7.929 8.871 1.00 0.00 H new ATOM 0 HG SER A 83 116.010 6.940 10.138 1.00 0.00 H new ATOM 1322 N LEU A 84 119.137 6.818 6.057 1.00 0.00 N ATOM 1323 CA LEU A 84 120.144 5.996 5.357 1.00 0.00 C ATOM 1324 C LEU A 84 121.033 5.322 6.407 1.00 0.00 C ATOM 1325 O LEU A 84 121.563 5.963 7.293 1.00 0.00 O ATOM 1326 CB LEU A 84 120.971 6.894 4.423 1.00 0.00 C ATOM 1327 CG LEU A 84 122.455 6.555 4.543 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.714 5.162 3.964 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.277 7.590 3.770 1.00 0.00 C ATOM 0 H LEU A 84 119.436 7.756 6.323 1.00 0.00 H new ATOM 0 HA LEU A 84 119.665 5.227 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.642 6.760 3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.808 7.942 4.676 1.00 0.00 H new ATOM 0 HG LEU A 84 122.745 6.568 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.774 4.923 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.129 4.425 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.423 5.145 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.337 7.350 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 84 122.984 7.576 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.096 8.582 4.184 1.00 0.00 H new ATOM 1341 N GLU A 85 121.198 4.035 6.311 1.00 0.00 N ATOM 1342 CA GLU A 85 122.051 3.310 7.288 1.00 0.00 C ATOM 1343 C GLU A 85 123.038 2.445 6.510 1.00 0.00 C ATOM 1344 O GLU A 85 122.661 1.710 5.621 1.00 0.00 O ATOM 1345 CB GLU A 85 121.178 2.429 8.190 1.00 0.00 C ATOM 1346 CG GLU A 85 120.835 1.120 7.470 1.00 0.00 C ATOM 1347 CD GLU A 85 119.797 0.346 8.286 1.00 0.00 C ATOM 1348 OE1 GLU A 85 119.599 0.695 9.438 1.00 0.00 O ATOM 1349 OE2 GLU A 85 119.220 -0.581 7.745 1.00 0.00 O ATOM 0 H GLU A 85 120.775 3.449 5.591 1.00 0.00 H new ATOM 0 HA GLU A 85 122.590 4.019 7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 85 121.703 2.215 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 85 120.263 2.959 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 85 120.446 1.331 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 85 121.734 0.518 7.340 1.00 0.00 H new ATOM 1356 N GLY A 86 124.298 2.533 6.816 1.00 0.00 N ATOM 1357 CA GLY A 86 125.284 1.718 6.063 1.00 0.00 C ATOM 1358 C GLY A 86 125.084 1.970 4.569 1.00 0.00 C ATOM 1359 O GLY A 86 125.400 3.030 4.063 1.00 0.00 O ATOM 0 H GLY A 86 124.686 3.128 7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.299 1.983 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.152 0.660 6.289 1.00 0.00 H new ATOM 1363 N ASN A 87 124.561 1.009 3.855 1.00 0.00 N ATOM 1364 CA ASN A 87 124.341 1.203 2.392 1.00 0.00 C ATOM 1365 C ASN A 87 122.880 0.924 2.024 1.00 0.00 C ATOM 1366 O ASN A 87 122.595 0.423 0.955 1.00 0.00 O ATOM 1367 CB ASN A 87 125.251 0.250 1.612 1.00 0.00 C ATOM 1368 CG ASN A 87 125.530 0.831 0.225 1.00 0.00 C ATOM 1369 OD1 ASN A 87 124.722 1.561 -0.315 1.00 0.00 O ATOM 1370 ND2 ASN A 87 126.649 0.537 -0.379 1.00 0.00 N ATOM 0 H ASN A 87 124.277 0.100 4.220 1.00 0.00 H new ATOM 0 HA ASN A 87 124.575 2.236 2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 87 126.187 0.102 2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.778 -0.728 1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 87 126.845 0.920 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 87 127.327 -0.076 0.074 1.00 0.00 H new ATOM 1377 N LYS A 88 121.945 1.231 2.886 1.00 0.00 N ATOM 1378 CA LYS A 88 120.522 0.959 2.543 1.00 0.00 C ATOM 1379 C LYS A 88 119.626 2.076 3.083 1.00 0.00 C ATOM 1380 O LYS A 88 119.967 2.760 4.027 1.00 0.00 O ATOM 1381 CB LYS A 88 120.104 -0.379 3.161 1.00 0.00 C ATOM 1382 CG LYS A 88 121.130 -0.797 4.214 1.00 0.00 C ATOM 1383 CD LYS A 88 120.542 -1.900 5.092 1.00 0.00 C ATOM 1384 CE LYS A 88 121.636 -2.469 5.997 1.00 0.00 C ATOM 1385 NZ LYS A 88 121.069 -3.565 6.833 1.00 0.00 N ATOM 0 H LYS A 88 122.104 1.653 3.801 1.00 0.00 H new ATOM 0 HA LYS A 88 120.415 0.916 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.117 -0.289 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.031 -1.142 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 88 122.040 -1.150 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 88 121.407 0.061 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 88 119.726 -1.503 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 88 120.123 -2.690 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.462 -2.847 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 88 122.041 -1.683 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 121.812 -3.952 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 120.295 -3.190 7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 120.703 -4.318 6.216 1.00 0.00 H new ATOM 1399 N LEU A 89 118.474 2.255 2.493 1.00 0.00 N ATOM 1400 CA LEU A 89 117.544 3.314 2.975 1.00 0.00 C ATOM 1401 C LEU A 89 116.517 2.671 3.904 1.00 0.00 C ATOM 1402 O LEU A 89 115.681 1.901 3.479 1.00 0.00 O ATOM 1403 CB LEU A 89 116.830 3.952 1.780 1.00 0.00 C ATOM 1404 CG LEU A 89 117.716 5.045 1.177 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.371 5.225 -0.303 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.477 6.362 1.917 1.00 0.00 C ATOM 0 H LEU A 89 118.138 1.712 1.697 1.00 0.00 H new ATOM 0 HA LEU A 89 118.099 4.085 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.608 3.194 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.877 4.376 2.097 1.00 0.00 H new ATOM 0 HG LEU A 89 118.763 4.757 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 89 118.002 6.003 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.541 4.288 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.324 5.512 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 89 118.108 7.140 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.430 6.649 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.723 6.237 2.972 1.00 0.00 H new ATOM 1418 N ILE A 90 116.579 2.966 5.171 1.00 0.00 N ATOM 1419 CA ILE A 90 115.613 2.350 6.118 1.00 0.00 C ATOM 1420 C ILE A 90 114.277 3.082 6.070 1.00 0.00 C ATOM 1421 O ILE A 90 114.163 4.174 5.554 1.00 0.00 O ATOM 1422 CB ILE A 90 116.159 2.374 7.538 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.067 3.576 7.725 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.956 1.095 7.798 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.429 3.689 9.197 1.00 0.00 C ATOM 0 H ILE A 90 117.255 3.605 5.590 1.00 0.00 H new ATOM 0 HA ILE A 90 115.463 1.313 5.817 1.00 0.00 H new ATOM 0 HB ILE A 90 115.327 2.440 8.239 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.968 3.466 7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.566 4.484 7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.348 1.111 8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.306 0.229 7.673 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.784 1.032 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.082 4.549 9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.521 3.816 9.786 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.944 2.783 9.516 1.00 0.00 H new ATOM 1437 N GLY A 91 113.269 2.464 6.610 1.00 0.00 N ATOM 1438 CA GLY A 91 111.910 3.068 6.628 1.00 0.00 C ATOM 1439 C GLY A 91 111.206 2.629 7.908 1.00 0.00 C ATOM 1440 O GLY A 91 110.622 1.567 7.976 1.00 0.00 O ATOM 0 H GLY A 91 113.330 1.546 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.977 4.155 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.342 2.750 5.754 1.00 0.00 H new ATOM 1444 N LYS A 92 111.261 3.429 8.925 1.00 0.00 N ATOM 1445 CA LYS A 92 110.601 3.044 10.199 1.00 0.00 C ATOM 1446 C LYS A 92 109.143 3.484 10.158 1.00 0.00 C ATOM 1447 O LYS A 92 108.831 4.639 10.334 1.00 0.00 O ATOM 1448 CB LYS A 92 111.313 3.723 11.373 1.00 0.00 C ATOM 1449 CG LYS A 92 111.086 5.235 11.304 1.00 0.00 C ATOM 1450 CD LYS A 92 112.318 5.971 11.839 1.00 0.00 C ATOM 1451 CE LYS A 92 112.436 5.749 13.348 1.00 0.00 C ATOM 1452 NZ LYS A 92 111.606 6.757 14.067 1.00 0.00 N ATOM 0 H LYS A 92 111.733 4.333 8.933 1.00 0.00 H new ATOM 0 HA LYS A 92 110.653 1.963 10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 92 110.935 3.331 12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 92 112.380 3.503 11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 92 110.890 5.536 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 92 110.207 5.507 11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 92 113.216 5.610 11.337 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.239 7.037 11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 92 112.107 4.742 13.605 1.00 0.00 H new ATOM 0 HE3 LYS A 92 113.478 5.833 13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 111.687 6.605 15.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 111.940 7.713 13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 110.612 6.657 13.780 1.00 0.00 H new ATOM 1466 N PHE A 93 108.250 2.568 9.920 1.00 0.00 N ATOM 1467 CA PHE A 93 106.804 2.919 9.858 1.00 0.00 C ATOM 1468 C PHE A 93 106.055 2.218 10.981 1.00 0.00 C ATOM 1469 O PHE A 93 106.338 1.091 11.332 1.00 0.00 O ATOM 1470 CB PHE A 93 106.225 2.473 8.509 1.00 0.00 C ATOM 1471 CG PHE A 93 106.452 3.535 7.450 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.052 4.757 7.781 1.00 0.00 C ATOM 1473 CD2 PHE A 93 106.060 3.288 6.128 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.257 5.728 6.795 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.264 4.260 5.142 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.863 5.481 5.476 1.00 0.00 C ATOM 0 H PHE A 93 108.460 1.582 9.764 1.00 0.00 H new ATOM 0 HA PHE A 93 106.693 3.998 9.967 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.691 1.538 8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.158 2.278 8.612 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.357 4.950 8.799 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.600 2.346 5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.720 6.669 7.053 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.960 4.068 4.124 1.00 0.00 H new ATOM 0 HZ PHE A 93 107.021 6.231 4.715 1.00 0.00 H new ATOM 1486 N LYS A 94 105.095 2.888 11.545 1.00 0.00 N ATOM 1487 CA LYS A 94 104.308 2.274 12.646 1.00 0.00 C ATOM 1488 C LYS A 94 102.817 2.503 12.398 1.00 0.00 C ATOM 1489 O LYS A 94 102.368 3.622 12.246 1.00 0.00 O ATOM 1490 CB LYS A 94 104.714 2.899 13.982 1.00 0.00 C ATOM 1491 CG LYS A 94 104.108 4.298 14.102 1.00 0.00 C ATOM 1492 CD LYS A 94 104.815 5.063 15.221 1.00 0.00 C ATOM 1493 CE LYS A 94 104.078 6.375 15.492 1.00 0.00 C ATOM 1494 NZ LYS A 94 104.447 6.882 16.845 1.00 0.00 N ATOM 0 H LYS A 94 104.820 3.837 11.291 1.00 0.00 H new ATOM 0 HA LYS A 94 104.507 1.203 12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.373 2.273 14.806 1.00 0.00 H new ATOM 0 HB3 LYS A 94 105.800 2.955 14.053 1.00 0.00 H new ATOM 0 HG2 LYS A 94 104.212 4.834 13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 94 103.041 4.227 14.313 1.00 0.00 H new ATOM 0 HD2 LYS A 94 104.845 4.457 16.127 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.848 5.266 14.940 1.00 0.00 H new ATOM 0 HE2 LYS A 94 104.336 7.113 14.733 1.00 0.00 H new ATOM 0 HE3 LYS A 94 103.001 6.219 15.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 103.946 7.774 17.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 104.180 6.180 17.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 105.473 7.046 16.886 1.00 0.00 H new ATOM 1508 N ARG A 95 102.046 1.449 12.356 1.00 0.00 N ATOM 1509 CA ARG A 95 100.585 1.607 12.123 1.00 0.00 C ATOM 1510 C ARG A 95 100.067 2.749 12.992 1.00 0.00 C ATOM 1511 O ARG A 95 100.117 2.691 14.202 1.00 0.00 O ATOM 1512 CB ARG A 95 99.862 0.308 12.496 1.00 0.00 C ATOM 1513 CG ARG A 95 99.655 -0.547 11.244 1.00 0.00 C ATOM 1514 CD ARG A 95 98.822 -1.781 11.600 1.00 0.00 C ATOM 1515 NE ARG A 95 98.081 -2.244 10.394 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.252 -3.248 10.483 1.00 0.00 C ATOM 1517 NH1 ARG A 95 96.601 -3.652 9.427 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.072 -3.847 11.628 1.00 0.00 N ATOM 0 H ARG A 95 102.366 0.488 12.473 1.00 0.00 H new ATOM 0 HA ARG A 95 100.400 1.829 11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.445 -0.245 13.233 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.900 0.535 12.956 1.00 0.00 H new ATOM 0 HG2 ARG A 95 99.151 0.035 10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 95 100.619 -0.851 10.835 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.470 -2.576 11.970 1.00 0.00 H new ATOM 0 HD3 ARG A 95 98.122 -1.542 12.401 1.00 0.00 H new ATOM 0 HE ARG A 95 98.221 -1.776 9.498 1.00 0.00 H new ATOM 0 HH11 ARG A 95 96.740 -3.183 8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.953 -4.437 9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 95 97.579 -3.531 12.454 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.424 -4.632 11.697 1.00 0.00 H new ATOM 1532 N THR A 96 99.576 3.793 12.393 1.00 0.00 N ATOM 1533 CA THR A 96 99.068 4.933 13.202 1.00 0.00 C ATOM 1534 C THR A 96 97.788 4.521 13.901 1.00 0.00 C ATOM 1535 O THR A 96 97.242 5.224 14.728 1.00 0.00 O ATOM 1536 CB THR A 96 98.796 6.119 12.284 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.942 5.710 10.932 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.788 7.237 12.587 1.00 0.00 C ATOM 0 H THR A 96 99.504 3.908 11.382 1.00 0.00 H new ATOM 0 HA THR A 96 99.810 5.216 13.948 1.00 0.00 H new ATOM 0 HB THR A 96 97.781 6.482 12.449 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.646 6.241 10.504 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.593 8.085 11.930 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.678 7.550 13.625 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.804 6.877 12.422 1.00 0.00 H new ATOM 1546 N ASP A 97 97.328 3.378 13.562 1.00 0.00 N ATOM 1547 CA ASP A 97 96.081 2.845 14.171 1.00 0.00 C ATOM 1548 C ASP A 97 96.420 2.110 15.470 1.00 0.00 C ATOM 1549 O ASP A 97 95.776 2.289 16.483 1.00 0.00 O ATOM 1550 CB ASP A 97 95.409 1.876 13.196 1.00 0.00 C ATOM 1551 CG ASP A 97 93.947 1.677 13.601 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.545 0.535 13.752 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.254 2.670 13.752 1.00 0.00 O ATOM 0 H ASP A 97 97.763 2.764 12.873 1.00 0.00 H new ATOM 0 HA ASP A 97 95.402 3.670 14.388 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.466 2.267 12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 97 95.932 0.920 13.199 1.00 0.00 H new ATOM 1558 N ASN A 98 97.429 1.283 15.444 1.00 0.00 N ATOM 1559 CA ASN A 98 97.813 0.534 16.671 1.00 0.00 C ATOM 1560 C ASN A 98 99.326 0.631 16.887 1.00 0.00 C ATOM 1561 O ASN A 98 99.882 -0.031 17.742 1.00 0.00 O ATOM 1562 CB ASN A 98 97.415 -0.935 16.516 1.00 0.00 C ATOM 1563 CG ASN A 98 95.918 -1.030 16.211 1.00 0.00 C ATOM 1564 OD1 ASN A 98 95.522 -1.658 15.250 1.00 0.00 O ATOM 1565 ND2 ASN A 98 95.066 -0.429 16.995 1.00 0.00 N ATOM 0 H ASN A 98 98.005 1.094 14.623 1.00 0.00 H new ATOM 0 HA ASN A 98 97.299 0.965 17.530 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.990 -1.396 15.713 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.646 -1.484 17.429 1.00 0.00 H new ATOM 0 HD21 ASN A 98 94.066 -0.486 16.801 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.400 0.098 17.802 1.00 0.00 H new ATOM 1572 N GLY A 99 99.999 1.448 16.122 1.00 0.00 N ATOM 1573 CA GLY A 99 101.474 1.578 16.291 1.00 0.00 C ATOM 1574 C GLY A 99 102.102 0.185 16.371 1.00 0.00 C ATOM 1575 O GLY A 99 102.938 -0.081 17.213 1.00 0.00 O ATOM 0 H GLY A 99 99.592 2.029 15.389 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.899 2.133 15.455 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.699 2.143 17.196 1.00 0.00 H new ATOM 1579 N ASN A 100 101.706 -0.707 15.505 1.00 0.00 N ATOM 1580 CA ASN A 100 102.281 -2.082 15.541 1.00 0.00 C ATOM 1581 C ASN A 100 103.714 -2.050 15.016 1.00 0.00 C ATOM 1582 O ASN A 100 104.321 -3.069 14.760 1.00 0.00 O ATOM 1583 CB ASN A 100 101.430 -3.021 14.683 1.00 0.00 C ATOM 1584 CG ASN A 100 100.357 -3.680 15.553 1.00 0.00 C ATOM 1585 OD1 ASN A 100 100.607 -4.017 16.694 1.00 0.00 O ATOM 1586 ND2 ASN A 100 99.166 -3.878 15.061 1.00 0.00 N ATOM 0 H ASN A 100 101.011 -0.544 14.776 1.00 0.00 H new ATOM 0 HA ASN A 100 102.284 -2.447 16.568 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.963 -2.464 13.871 1.00 0.00 H new ATOM 0 HB3 ASN A 100 102.060 -3.783 14.225 1.00 0.00 H new ATOM 0 HD21 ASN A 100 98.444 -4.316 15.633 1.00 0.00 H new ATOM 0 HD22 ASN A 100 98.956 -3.595 14.104 1.00 0.00 H new ATOM 1593 N GLU A 101 104.253 -0.878 14.885 1.00 0.00 N ATOM 1594 CA GLU A 101 105.658 -0.725 14.404 1.00 0.00 C ATOM 1595 C GLU A 101 105.902 -1.539 13.124 1.00 0.00 C ATOM 1596 O GLU A 101 105.370 -2.613 12.936 1.00 0.00 O ATOM 1597 CB GLU A 101 106.612 -1.206 15.501 1.00 0.00 C ATOM 1598 CG GLU A 101 107.037 -0.020 16.370 1.00 0.00 C ATOM 1599 CD GLU A 101 107.902 -0.520 17.528 1.00 0.00 C ATOM 1600 OE1 GLU A 101 107.782 0.029 18.610 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.669 -1.443 17.313 1.00 0.00 O ATOM 0 H GLU A 101 103.776 -0.001 15.093 1.00 0.00 H new ATOM 0 HA GLU A 101 105.835 0.326 14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 101 106.124 -1.963 16.115 1.00 0.00 H new ATOM 0 HB3 GLU A 101 107.489 -1.675 15.054 1.00 0.00 H new ATOM 0 HG2 GLU A 101 107.593 0.702 15.772 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.157 0.496 16.755 1.00 0.00 H new ATOM 1608 N LEU A 102 106.737 -1.029 12.257 1.00 0.00 N ATOM 1609 CA LEU A 102 107.070 -1.751 10.994 1.00 0.00 C ATOM 1610 C LEU A 102 108.498 -1.372 10.601 1.00 0.00 C ATOM 1611 O LEU A 102 108.828 -0.207 10.497 1.00 0.00 O ATOM 1612 CB LEU A 102 106.100 -1.350 9.874 1.00 0.00 C ATOM 1613 CG LEU A 102 106.401 -2.173 8.612 1.00 0.00 C ATOM 1614 CD1 LEU A 102 105.178 -2.165 7.690 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.604 -1.576 7.865 1.00 0.00 C ATOM 0 H LEU A 102 107.208 -0.132 12.372 1.00 0.00 H new ATOM 0 HA LEU A 102 106.984 -2.827 11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 102 105.071 -1.518 10.193 1.00 0.00 H new ATOM 0 HB3 LEU A 102 106.198 -0.286 9.658 1.00 0.00 H new ATOM 0 HG LEU A 102 106.634 -3.196 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 102 105.393 -2.749 6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 102 104.326 -2.601 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.943 -1.139 7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.808 -2.167 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.380 -0.549 7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.478 -1.587 8.516 1.00 0.00 H new ATOM 1627 N ASN A 103 109.354 -2.336 10.393 1.00 0.00 N ATOM 1628 CA ASN A 103 110.762 -2.005 10.020 1.00 0.00 C ATOM 1629 C ASN A 103 111.018 -2.431 8.578 1.00 0.00 C ATOM 1630 O ASN A 103 111.019 -3.601 8.261 1.00 0.00 O ATOM 1631 CB ASN A 103 111.730 -2.741 10.955 1.00 0.00 C ATOM 1632 CG ASN A 103 112.965 -1.872 11.201 1.00 0.00 C ATOM 1633 OD1 ASN A 103 112.852 -0.682 11.419 1.00 0.00 O ATOM 1634 ND2 ASN A 103 114.149 -2.420 11.174 1.00 0.00 N ATOM 0 H ASN A 103 109.143 -3.331 10.464 1.00 0.00 H new ATOM 0 HA ASN A 103 110.919 -0.931 10.114 1.00 0.00 H new ATOM 0 HB2 ASN A 103 111.237 -2.967 11.901 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.025 -3.693 10.514 1.00 0.00 H new ATOM 0 HD21 ASN A 103 114.979 -1.849 11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 103 114.245 -3.419 10.991 1.00 0.00 H new ATOM 1641 N THR A 104 111.218 -1.491 7.696 1.00 0.00 N ATOM 1642 CA THR A 104 111.447 -1.852 6.272 1.00 0.00 C ATOM 1643 C THR A 104 112.760 -1.259 5.761 1.00 0.00 C ATOM 1644 O THR A 104 113.445 -0.532 6.452 1.00 0.00 O ATOM 1645 CB THR A 104 110.295 -1.306 5.430 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.612 -1.430 4.051 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.075 0.167 5.776 1.00 0.00 C ATOM 0 H THR A 104 111.232 -0.492 7.900 1.00 0.00 H new ATOM 0 HA THR A 104 111.501 -2.938 6.192 1.00 0.00 H new ATOM 0 HB THR A 104 109.387 -1.871 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.784 -2.371 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.254 0.562 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.831 0.260 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.983 0.730 5.563 1.00 0.00 H new ATOM 1655 N VAL A 105 113.104 -1.570 4.540 1.00 0.00 N ATOM 1656 CA VAL A 105 114.362 -1.039 3.947 1.00 0.00 C ATOM 1657 C VAL A 105 114.170 -0.861 2.438 1.00 0.00 C ATOM 1658 O VAL A 105 113.347 -1.516 1.830 1.00 0.00 O ATOM 1659 CB VAL A 105 115.505 -2.022 4.204 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.790 -1.491 3.565 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.714 -2.177 5.712 1.00 0.00 C ATOM 0 H VAL A 105 112.561 -2.175 3.924 1.00 0.00 H new ATOM 0 HA VAL A 105 114.604 -0.079 4.402 1.00 0.00 H new ATOM 0 HB VAL A 105 115.256 -2.990 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.604 -2.192 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.643 -1.379 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 105 117.040 -0.523 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.529 -2.878 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.963 -1.209 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.800 -2.555 6.169 1.00 0.00 H new ATOM 1671 N ARG A 106 114.918 0.021 1.828 1.00 0.00 N ATOM 1672 CA ARG A 106 114.770 0.238 0.359 1.00 0.00 C ATOM 1673 C ARG A 106 116.133 0.097 -0.323 1.00 0.00 C ATOM 1674 O ARG A 106 117.110 0.694 0.088 1.00 0.00 O ATOM 1675 CB ARG A 106 114.218 1.644 0.105 1.00 0.00 C ATOM 1676 CG ARG A 106 112.688 1.597 0.055 1.00 0.00 C ATOM 1677 CD ARG A 106 112.136 3.006 -0.171 1.00 0.00 C ATOM 1678 NE ARG A 106 113.087 3.787 -1.013 1.00 0.00 N ATOM 1679 CZ ARG A 106 112.640 4.691 -1.842 1.00 0.00 C ATOM 1680 NH1 ARG A 106 113.476 5.368 -2.581 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.358 4.922 -1.931 1.00 0.00 N ATOM 0 H ARG A 106 115.624 0.600 2.283 1.00 0.00 H new ATOM 0 HA ARG A 106 114.083 -0.504 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 106 114.545 2.321 0.894 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.610 2.035 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 106 112.361 0.935 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.296 1.188 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 106 111.163 2.952 -0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 106 111.986 3.506 0.786 1.00 0.00 H new ATOM 0 HE ARG A 106 114.090 3.614 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 106 114.478 5.191 -2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 106 113.127 6.074 -3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 106 110.704 4.396 -1.352 1.00 0.00 H new ATOM 0 HH22 ARG A 106 111.011 5.629 -2.579 1.00 0.00 H new ATOM 1695 N GLU A 107 116.202 -0.684 -1.369 1.00 0.00 N ATOM 1696 CA GLU A 107 117.498 -0.863 -2.090 1.00 0.00 C ATOM 1697 C GLU A 107 117.275 -0.630 -3.584 1.00 0.00 C ATOM 1698 O GLU A 107 116.167 -0.719 -4.075 1.00 0.00 O ATOM 1699 CB GLU A 107 118.032 -2.280 -1.866 1.00 0.00 C ATOM 1700 CG GLU A 107 118.137 -2.557 -0.366 1.00 0.00 C ATOM 1701 CD GLU A 107 118.119 -4.066 -0.123 1.00 0.00 C ATOM 1702 OE1 GLU A 107 118.403 -4.800 -1.055 1.00 0.00 O ATOM 1703 OE2 GLU A 107 117.821 -4.464 0.992 1.00 0.00 O ATOM 0 H GLU A 107 115.416 -1.207 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 107 118.226 -0.147 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.370 -3.008 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 107 119.009 -2.390 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.056 -2.125 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 107 117.309 -2.083 0.161 1.00 0.00 H new ATOM 1710 N ILE A 108 118.316 -0.328 -4.314 1.00 0.00 N ATOM 1711 CA ILE A 108 118.167 -0.089 -5.763 1.00 0.00 C ATOM 1712 C ILE A 108 119.026 -1.099 -6.503 1.00 0.00 C ATOM 1713 O ILE A 108 120.138 -0.815 -6.901 1.00 0.00 O ATOM 1714 CB ILE A 108 118.658 1.314 -6.091 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.983 2.333 -5.158 1.00 0.00 C ATOM 1716 CG2 ILE A 108 118.324 1.621 -7.545 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.797 2.993 -5.865 1.00 0.00 C ATOM 0 H ILE A 108 119.267 -0.238 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 108 117.122 -0.189 -6.057 1.00 0.00 H new ATOM 0 HB ILE A 108 119.736 1.377 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 108 117.643 1.836 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.704 3.093 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 108 118.670 2.624 -7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.817 0.896 -8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 108 117.245 1.563 -7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.328 3.712 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.147 3.507 -6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.070 2.231 -6.145 1.00 0.00 H new ATOM 1729 N ILE A 109 118.524 -2.278 -6.685 1.00 0.00 N ATOM 1730 CA ILE A 109 119.325 -3.306 -7.395 1.00 0.00 C ATOM 1731 C ILE A 109 119.551 -2.845 -8.832 1.00 0.00 C ATOM 1732 O ILE A 109 118.762 -3.107 -9.718 1.00 0.00 O ATOM 1733 CB ILE A 109 118.582 -4.648 -7.379 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.872 -5.369 -6.060 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.052 -5.519 -8.551 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.056 -6.662 -5.989 1.00 0.00 C ATOM 0 H ILE A 109 117.599 -2.577 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 109 120.286 -3.438 -6.898 1.00 0.00 H new ATOM 0 HB ILE A 109 117.511 -4.469 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 109 119.936 -5.594 -5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.622 -4.723 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 109 118.520 -6.470 -8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 109 118.847 -5.006 -9.491 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.123 -5.700 -8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.265 -7.173 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 109 116.994 -6.425 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.328 -7.310 -6.822 1.00 0.00 H new ATOM 1748 N GLY A 110 120.634 -2.164 -9.062 1.00 0.00 N ATOM 1749 CA GLY A 110 120.941 -1.683 -10.440 1.00 0.00 C ATOM 1750 C GLY A 110 119.739 -0.933 -11.024 1.00 0.00 C ATOM 1751 O GLY A 110 119.692 0.280 -11.016 1.00 0.00 O ATOM 0 H GLY A 110 121.325 -1.917 -8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.811 -1.027 -10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.196 -2.529 -11.079 1.00 0.00 H new ATOM 1755 N ASP A 111 118.774 -1.646 -11.549 1.00 0.00 N ATOM 1756 CA ASP A 111 117.587 -0.971 -12.153 1.00 0.00 C ATOM 1757 C ASP A 111 116.296 -1.492 -11.518 1.00 0.00 C ATOM 1758 O ASP A 111 115.255 -1.521 -12.143 1.00 0.00 O ATOM 1759 CB ASP A 111 117.559 -1.242 -13.658 1.00 0.00 C ATOM 1760 CG ASP A 111 117.622 -2.750 -13.908 1.00 0.00 C ATOM 1761 OD1 ASP A 111 118.722 -3.272 -13.986 1.00 0.00 O ATOM 1762 OD2 ASP A 111 116.569 -3.357 -14.017 1.00 0.00 O ATOM 0 H ASP A 111 118.758 -2.665 -11.585 1.00 0.00 H new ATOM 0 HA ASP A 111 117.661 0.101 -11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 111 116.651 -0.828 -14.096 1.00 0.00 H new ATOM 0 HB3 ASP A 111 118.401 -0.747 -14.143 1.00 0.00 H new ATOM 1767 N GLU A 112 116.351 -1.896 -10.282 1.00 0.00 N ATOM 1768 CA GLU A 112 115.123 -2.405 -9.609 1.00 0.00 C ATOM 1769 C GLU A 112 115.074 -1.859 -8.182 1.00 0.00 C ATOM 1770 O GLU A 112 116.098 -1.651 -7.561 1.00 0.00 O ATOM 1771 CB GLU A 112 115.151 -3.934 -9.580 1.00 0.00 C ATOM 1772 CG GLU A 112 115.137 -4.472 -11.012 1.00 0.00 C ATOM 1773 CD GLU A 112 114.963 -5.991 -10.986 1.00 0.00 C ATOM 1774 OE1 GLU A 112 115.967 -6.682 -10.937 1.00 0.00 O ATOM 1775 OE2 GLU A 112 113.827 -6.438 -11.014 1.00 0.00 O ATOM 0 H GLU A 112 117.193 -1.896 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 112 114.239 -2.077 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 112 116.042 -4.282 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.290 -4.314 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 112 114.326 -4.012 -11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 112 116.066 -4.211 -11.519 1.00 0.00 H new ATOM 1782 N LEU A 113 113.902 -1.618 -7.651 1.00 0.00 N ATOM 1783 CA LEU A 113 113.830 -1.078 -6.258 1.00 0.00 C ATOM 1784 C LEU A 113 113.328 -2.168 -5.315 1.00 0.00 C ATOM 1785 O LEU A 113 112.190 -2.585 -5.384 1.00 0.00 O ATOM 1786 CB LEU A 113 112.879 0.121 -6.215 1.00 0.00 C ATOM 1787 CG LEU A 113 112.887 0.745 -4.819 1.00 0.00 C ATOM 1788 CD1 LEU A 113 114.070 1.710 -4.696 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.582 1.516 -4.603 1.00 0.00 C ATOM 0 H LEU A 113 113.005 -1.769 -8.112 1.00 0.00 H new ATOM 0 HA LEU A 113 114.823 -0.756 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 113 113.181 0.862 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.869 -0.196 -6.475 1.00 0.00 H new ATOM 0 HG LEU A 113 112.979 -0.041 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 113 114.075 2.154 -3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 113 115.001 1.166 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.977 2.497 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.584 1.963 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.495 2.302 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.737 0.833 -4.693 1.00 0.00 H new ATOM 1801 N VAL A 114 114.169 -2.630 -4.430 1.00 0.00 N ATOM 1802 CA VAL A 114 113.738 -3.692 -3.483 1.00 0.00 C ATOM 1803 C VAL A 114 113.273 -3.048 -2.182 1.00 0.00 C ATOM 1804 O VAL A 114 114.047 -2.442 -1.468 1.00 0.00 O ATOM 1805 CB VAL A 114 114.909 -4.632 -3.191 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.391 -5.937 -2.576 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.656 -4.939 -4.491 1.00 0.00 C ATOM 0 H VAL A 114 115.134 -2.317 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 114 112.921 -4.261 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 114 115.587 -4.150 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.231 -6.601 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.866 -5.718 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.707 -6.421 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.490 -5.609 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.976 -5.416 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 114 116.034 -4.012 -4.921 1.00 0.00 H new ATOM 1817 N GLN A 115 112.017 -3.180 -1.862 1.00 0.00 N ATOM 1818 CA GLN A 115 111.507 -2.584 -0.602 1.00 0.00 C ATOM 1819 C GLN A 115 111.073 -3.719 0.321 1.00 0.00 C ATOM 1820 O GLN A 115 110.035 -4.322 0.133 1.00 0.00 O ATOM 1821 CB GLN A 115 110.311 -1.680 -0.908 1.00 0.00 C ATOM 1822 CG GLN A 115 109.975 -0.832 0.322 1.00 0.00 C ATOM 1823 CD GLN A 115 109.247 0.440 -0.118 1.00 0.00 C ATOM 1824 OE1 GLN A 115 109.691 1.129 -1.014 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.138 0.781 0.478 1.00 0.00 N ATOM 0 H GLN A 115 111.322 -3.676 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 115 112.284 -1.987 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.539 -1.034 -1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.449 -2.285 -1.191 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.350 -1.402 1.010 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.888 -0.574 0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 115 107.765 0.203 1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.644 1.626 0.191 1.00 0.00 H new ATOM 1834 N THR A 116 111.864 -4.030 1.308 1.00 0.00 N ATOM 1835 CA THR A 116 111.498 -5.141 2.226 1.00 0.00 C ATOM 1836 C THR A 116 110.968 -4.577 3.537 1.00 0.00 C ATOM 1837 O THR A 116 111.418 -3.554 4.012 1.00 0.00 O ATOM 1838 CB THR A 116 112.731 -6.000 2.513 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.611 -5.953 1.399 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.304 -7.445 2.771 1.00 0.00 C ATOM 0 H THR A 116 112.746 -3.564 1.518 1.00 0.00 H new ATOM 0 HA THR A 116 110.727 -5.750 1.754 1.00 0.00 H new ATOM 0 HB THR A 116 113.243 -5.615 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.402 -6.502 1.583 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.185 -8.054 2.975 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.633 -7.478 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.789 -7.835 1.893 1.00 0.00 H new ATOM 1848 N TYR A 117 110.031 -5.251 4.134 1.00 0.00 N ATOM 1849 CA TYR A 117 109.482 -4.771 5.432 1.00 0.00 C ATOM 1850 C TYR A 117 109.525 -5.895 6.451 1.00 0.00 C ATOM 1851 O TYR A 117 109.451 -7.059 6.125 1.00 0.00 O ATOM 1852 CB TYR A 117 108.031 -4.300 5.292 1.00 0.00 C ATOM 1853 CG TYR A 117 107.785 -3.799 3.902 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.867 -4.685 2.837 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.465 -2.456 3.683 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.632 -4.236 1.534 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.229 -2.000 2.384 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.312 -2.892 1.306 1.00 0.00 C ATOM 1859 OH TYR A 117 107.079 -2.445 0.021 1.00 0.00 O ATOM 0 H TYR A 117 109.619 -6.115 3.781 1.00 0.00 H new ATOM 0 HA TYR A 117 110.094 -3.930 5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.350 -5.121 5.517 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.826 -3.509 6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.112 -5.722 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.400 -1.772 4.517 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.697 -4.925 0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.983 -0.963 2.211 1.00 0.00 H new ATOM 0 HH TYR A 117 107.612 -1.640 -0.147 1.00 0.00 H new ATOM 1869 N VAL A 118 109.615 -5.530 7.686 1.00 0.00 N ATOM 1870 CA VAL A 118 109.632 -6.536 8.781 1.00 0.00 C ATOM 1871 C VAL A 118 108.453 -6.265 9.683 1.00 0.00 C ATOM 1872 O VAL A 118 108.016 -5.140 9.839 1.00 0.00 O ATOM 1873 CB VAL A 118 110.902 -6.420 9.616 1.00 0.00 C ATOM 1874 CG1 VAL A 118 111.031 -7.645 10.527 1.00 0.00 C ATOM 1875 CG2 VAL A 118 112.122 -6.328 8.702 1.00 0.00 C ATOM 0 H VAL A 118 109.679 -4.560 7.996 1.00 0.00 H new ATOM 0 HA VAL A 118 109.589 -7.533 8.343 1.00 0.00 H new ATOM 0 HB VAL A 118 110.847 -5.518 10.226 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.939 -7.561 11.123 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.166 -7.699 11.188 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.079 -8.548 9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 118 113.025 -6.245 9.307 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.181 -7.223 8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 118 112.032 -5.450 8.063 1.00 0.00 H new ATOM 1885 N TYR A 119 107.931 -7.281 10.277 1.00 0.00 N ATOM 1886 CA TYR A 119 106.768 -7.076 11.170 1.00 0.00 C ATOM 1887 C TYR A 119 106.835 -8.011 12.377 1.00 0.00 C ATOM 1888 O TYR A 119 106.669 -9.210 12.271 1.00 0.00 O ATOM 1889 CB TYR A 119 105.482 -7.325 10.389 1.00 0.00 C ATOM 1890 CG TYR A 119 104.436 -6.333 10.826 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.711 -6.571 11.991 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.184 -5.188 10.062 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.727 -5.666 12.402 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.203 -4.278 10.471 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.472 -4.518 11.641 1.00 0.00 C ATOM 1896 OH TYR A 119 101.502 -3.625 12.042 1.00 0.00 O ATOM 0 H TYR A 119 108.253 -8.245 10.188 1.00 0.00 H new ATOM 0 HA TYR A 119 106.784 -6.049 11.536 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.668 -7.228 9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.130 -8.342 10.560 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.909 -7.456 12.578 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.746 -5.007 9.158 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.164 -5.852 13.305 1.00 0.00 H new ATOM 0 HE2 TYR A 119 103.010 -3.392 9.885 1.00 0.00 H new ATOM 0 HH TYR A 119 101.611 -2.782 11.554 1.00 0.00 H new ATOM 1906 N GLU A 120 107.062 -7.444 13.525 1.00 0.00 N ATOM 1907 CA GLU A 120 107.126 -8.241 14.785 1.00 0.00 C ATOM 1908 C GLU A 120 107.982 -9.488 14.601 1.00 0.00 C ATOM 1909 O GLU A 120 107.887 -10.433 15.359 1.00 0.00 O ATOM 1910 CB GLU A 120 105.712 -8.647 15.204 1.00 0.00 C ATOM 1911 CG GLU A 120 105.022 -7.461 15.882 1.00 0.00 C ATOM 1912 CD GLU A 120 105.213 -6.204 15.031 1.00 0.00 C ATOM 1913 OE1 GLU A 120 106.332 -5.722 14.964 1.00 0.00 O ATOM 1914 OE2 GLU A 120 104.237 -5.744 14.462 1.00 0.00 O ATOM 0 H GLU A 120 107.209 -6.442 13.649 1.00 0.00 H new ATOM 0 HA GLU A 120 107.581 -7.624 15.560 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.140 -8.965 14.332 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.753 -9.496 15.886 1.00 0.00 H new ATOM 0 HG2 GLU A 120 103.960 -7.669 16.009 1.00 0.00 H new ATOM 0 HG3 GLU A 120 105.438 -7.306 16.878 1.00 0.00 H new ATOM 1921 N GLY A 121 108.823 -9.499 13.616 1.00 0.00 N ATOM 1922 CA GLY A 121 109.693 -10.686 13.399 1.00 0.00 C ATOM 1923 C GLY A 121 109.292 -11.374 12.104 1.00 0.00 C ATOM 1924 O GLY A 121 109.471 -12.565 11.938 1.00 0.00 O ATOM 0 H GLY A 121 108.949 -8.738 12.948 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.739 -10.381 13.353 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.599 -11.378 14.236 1.00 0.00 H new ATOM 1928 N VAL A 122 108.771 -10.628 11.174 1.00 0.00 N ATOM 1929 CA VAL A 122 108.380 -11.220 9.881 1.00 0.00 C ATOM 1930 C VAL A 122 109.106 -10.454 8.807 1.00 0.00 C ATOM 1931 O VAL A 122 109.805 -9.502 9.082 1.00 0.00 O ATOM 1932 CB VAL A 122 106.875 -11.117 9.666 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.536 -9.839 8.899 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.394 -12.331 8.877 1.00 0.00 C ATOM 0 H VAL A 122 108.600 -9.626 11.261 1.00 0.00 H new ATOM 0 HA VAL A 122 108.640 -12.278 9.857 1.00 0.00 H new ATOM 0 HB VAL A 122 106.377 -11.087 10.635 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.458 -9.778 8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.874 -8.973 9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.034 -9.854 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.317 -12.261 8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 122 106.899 -12.361 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.621 -13.240 9.434 1.00 0.00 H new ATOM 1944 N GLU A 123 108.961 -10.850 7.594 1.00 0.00 N ATOM 1945 CA GLU A 123 109.675 -10.110 6.530 1.00 0.00 C ATOM 1946 C GLU A 123 108.988 -10.281 5.172 1.00 0.00 C ATOM 1947 O GLU A 123 108.788 -11.381 4.697 1.00 0.00 O ATOM 1948 CB GLU A 123 111.112 -10.626 6.440 1.00 0.00 C ATOM 1949 CG GLU A 123 111.827 -9.936 5.280 1.00 0.00 C ATOM 1950 CD GLU A 123 113.311 -10.308 5.300 1.00 0.00 C ATOM 1951 OE1 GLU A 123 113.604 -11.492 5.322 1.00 0.00 O ATOM 1952 OE2 GLU A 123 114.129 -9.402 5.295 1.00 0.00 O ATOM 0 H GLU A 123 108.391 -11.639 7.288 1.00 0.00 H new ATOM 0 HA GLU A 123 109.666 -9.050 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.639 -10.431 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.114 -11.706 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.379 -10.236 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.711 -8.855 5.359 1.00 0.00 H new ATOM 1959 N ALA A 124 108.661 -9.190 4.536 1.00 0.00 N ATOM 1960 CA ALA A 124 108.023 -9.259 3.190 1.00 0.00 C ATOM 1961 C ALA A 124 108.914 -8.500 2.203 1.00 0.00 C ATOM 1962 O ALA A 124 109.623 -7.591 2.584 1.00 0.00 O ATOM 1963 CB ALA A 124 106.631 -8.621 3.235 1.00 0.00 C ATOM 0 H ALA A 124 108.809 -8.246 4.893 1.00 0.00 H new ATOM 0 HA ALA A 124 107.913 -10.298 2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.173 -8.676 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 124 106.009 -9.155 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.719 -7.577 3.536 1.00 0.00 H new ATOM 1969 N LYS A 125 108.909 -8.865 0.946 1.00 0.00 N ATOM 1970 CA LYS A 125 109.790 -8.146 -0.020 1.00 0.00 C ATOM 1971 C LYS A 125 109.025 -7.755 -1.283 1.00 0.00 C ATOM 1972 O LYS A 125 108.233 -8.511 -1.812 1.00 0.00 O ATOM 1973 CB LYS A 125 110.966 -9.046 -0.403 1.00 0.00 C ATOM 1974 CG LYS A 125 112.084 -8.198 -1.019 1.00 0.00 C ATOM 1975 CD LYS A 125 113.424 -8.925 -0.870 1.00 0.00 C ATOM 1976 CE LYS A 125 113.433 -10.181 -1.748 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.660 -10.184 -2.594 1.00 0.00 N ATOM 0 H LYS A 125 108.343 -9.617 0.553 1.00 0.00 H new ATOM 0 HA LYS A 125 110.150 -7.236 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.337 -9.571 0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.639 -9.806 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.875 -8.013 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.130 -7.226 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.241 -8.263 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.586 -9.198 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 125 113.406 -11.074 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 125 112.544 -10.204 -2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 114.668 -11.036 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 114.667 -9.338 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 115.502 -10.181 -1.984 1.00 0.00 H new ATOM 1991 N ARG A 126 109.283 -6.574 -1.776 1.00 0.00 N ATOM 1992 CA ARG A 126 108.610 -6.104 -3.021 1.00 0.00 C ATOM 1993 C ARG A 126 109.671 -5.462 -3.921 1.00 0.00 C ATOM 1994 O ARG A 126 110.258 -4.457 -3.575 1.00 0.00 O ATOM 1995 CB ARG A 126 107.531 -5.071 -2.663 1.00 0.00 C ATOM 1996 CG ARG A 126 106.150 -5.612 -3.042 1.00 0.00 C ATOM 1997 CD ARG A 126 105.118 -4.484 -2.976 1.00 0.00 C ATOM 1998 NE ARG A 126 105.655 -3.362 -2.155 1.00 0.00 N ATOM 1999 CZ ARG A 126 105.125 -2.173 -2.251 1.00 0.00 C ATOM 2000 NH1 ARG A 126 105.595 -1.188 -1.534 1.00 0.00 N ATOM 2001 NH2 ARG A 126 104.125 -1.968 -3.065 1.00 0.00 N ATOM 0 H ARG A 126 109.938 -5.908 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 126 108.136 -6.938 -3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.565 -4.851 -1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.722 -4.135 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.177 -6.034 -4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 126 105.866 -6.418 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.884 -4.133 -3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.189 -4.853 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 126 106.436 -3.523 -1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 126 106.377 -1.347 -0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 126 105.180 -0.259 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.758 -2.737 -3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 126 103.711 -1.039 -3.140 1.00 0.00 H new ATOM 2015 N ILE A 127 109.944 -6.044 -5.060 1.00 0.00 N ATOM 2016 CA ILE A 127 110.995 -5.468 -5.950 1.00 0.00 C ATOM 2017 C ILE A 127 110.368 -4.834 -7.191 1.00 0.00 C ATOM 2018 O ILE A 127 109.634 -5.466 -7.924 1.00 0.00 O ATOM 2019 CB ILE A 127 111.949 -6.582 -6.385 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.428 -7.369 -5.156 1.00 0.00 C ATOM 2021 CG2 ILE A 127 113.153 -5.974 -7.109 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.277 -8.870 -5.418 1.00 0.00 C ATOM 0 H ILE A 127 109.488 -6.887 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 127 111.535 -4.698 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 127 111.425 -7.259 -7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.470 -7.130 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.848 -7.082 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.831 -6.769 -7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.811 -5.427 -7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.675 -5.292 -6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.617 -9.428 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.230 -9.102 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.877 -9.150 -6.284 1.00 0.00 H new ATOM 2034 N PHE A 128 110.669 -3.586 -7.440 1.00 0.00 N ATOM 2035 CA PHE A 128 110.108 -2.908 -8.643 1.00 0.00 C ATOM 2036 C PHE A 128 111.144 -2.942 -9.771 1.00 0.00 C ATOM 2037 O PHE A 128 112.266 -3.370 -9.585 1.00 0.00 O ATOM 2038 CB PHE A 128 109.775 -1.440 -8.320 1.00 0.00 C ATOM 2039 CG PHE A 128 108.925 -1.337 -7.074 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.244 -2.454 -6.607 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.816 -0.117 -6.395 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.447 -2.367 -5.460 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.023 -0.024 -5.246 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.336 -1.150 -4.778 1.00 0.00 C ATOM 0 H PHE A 128 111.279 -3.008 -6.862 1.00 0.00 H new ATOM 0 HA PHE A 128 109.199 -3.426 -8.948 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.698 -0.876 -8.182 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.249 -0.989 -9.161 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.330 -3.394 -7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.344 0.752 -6.758 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.918 -3.238 -5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 128 107.941 0.916 -4.721 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.722 -1.080 -3.893 1.00 0.00 H new ATOM 2054 N LYS A 129 110.772 -2.484 -10.937 1.00 0.00 N ATOM 2055 CA LYS A 129 111.719 -2.478 -12.088 1.00 0.00 C ATOM 2056 C LYS A 129 111.225 -1.487 -13.143 1.00 0.00 C ATOM 2057 O LYS A 129 110.056 -1.161 -13.204 1.00 0.00 O ATOM 2058 CB LYS A 129 111.790 -3.877 -12.702 1.00 0.00 C ATOM 2059 CG LYS A 129 112.742 -3.857 -13.900 1.00 0.00 C ATOM 2060 CD LYS A 129 113.095 -5.291 -14.295 1.00 0.00 C ATOM 2061 CE LYS A 129 113.742 -5.296 -15.681 1.00 0.00 C ATOM 2062 NZ LYS A 129 112.816 -4.662 -16.663 1.00 0.00 N ATOM 0 H LYS A 129 109.845 -2.111 -11.142 1.00 0.00 H new ATOM 0 HA LYS A 129 112.710 -2.184 -11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 129 112.137 -4.595 -11.959 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.797 -4.199 -13.017 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.276 -3.341 -14.740 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.647 -3.304 -13.649 1.00 0.00 H new ATOM 0 HD2 LYS A 129 113.777 -5.723 -13.563 1.00 0.00 H new ATOM 0 HD3 LYS A 129 112.197 -5.909 -14.299 1.00 0.00 H new ATOM 0 HE2 LYS A 129 114.688 -4.755 -15.655 1.00 0.00 H new ATOM 0 HE3 LYS A 129 113.968 -6.318 -15.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 113.056 -4.982 -17.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 111.837 -4.934 -16.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 112.908 -3.627 -16.609 1.00 0.00 H new ATOM 2076 N LYS A 130 112.107 -0.998 -13.971 1.00 0.00 N ATOM 2077 CA LYS A 130 111.690 -0.021 -15.017 1.00 0.00 C ATOM 2078 C LYS A 130 110.464 -0.556 -15.759 1.00 0.00 C ATOM 2079 O LYS A 130 110.449 -1.676 -16.227 1.00 0.00 O ATOM 2080 CB LYS A 130 112.837 0.192 -16.007 1.00 0.00 C ATOM 2081 CG LYS A 130 113.487 -1.153 -16.338 1.00 0.00 C ATOM 2082 CD LYS A 130 114.417 -0.987 -17.543 1.00 0.00 C ATOM 2083 CE LYS A 130 115.530 -2.034 -17.480 1.00 0.00 C ATOM 2084 NZ LYS A 130 114.942 -3.395 -17.632 1.00 0.00 N ATOM 0 H LYS A 130 113.100 -1.233 -13.969 1.00 0.00 H new ATOM 0 HA LYS A 130 111.440 0.929 -14.545 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.463 0.660 -16.917 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.577 0.870 -15.581 1.00 0.00 H new ATOM 0 HG2 LYS A 130 114.049 -1.519 -15.479 1.00 0.00 H new ATOM 0 HG3 LYS A 130 112.720 -1.896 -16.557 1.00 0.00 H new ATOM 0 HD2 LYS A 130 113.852 -1.097 -18.469 1.00 0.00 H new ATOM 0 HD3 LYS A 130 114.846 0.015 -17.549 1.00 0.00 H new ATOM 0 HE2 LYS A 130 116.260 -1.852 -18.268 1.00 0.00 H new ATOM 0 HE3 LYS A 130 116.061 -1.959 -16.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 115.609 -4.006 -18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 114.756 -3.800 -16.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 114.051 -3.331 -18.164 1.00 0.00 H new ATOM 2098 N ASP A 131 109.435 0.240 -15.870 1.00 0.00 N ATOM 2099 CA ASP A 131 108.211 -0.221 -16.582 1.00 0.00 C ATOM 2100 C ASP A 131 108.382 -0.002 -18.086 1.00 0.00 C ATOM 2101 O ASP A 131 108.456 -0.985 -18.804 1.00 0.00 O ATOM 2102 CB ASP A 131 107.003 0.573 -16.084 1.00 0.00 C ATOM 2103 CG ASP A 131 105.803 0.302 -16.994 1.00 0.00 C ATOM 2104 OD1 ASP A 131 105.269 -0.793 -16.927 1.00 0.00 O ATOM 2105 OD2 ASP A 131 105.438 1.193 -17.742 1.00 0.00 O ATOM 0 H ASP A 131 109.390 1.189 -15.498 1.00 0.00 H new ATOM 0 HA ASP A 131 108.054 -1.282 -16.386 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.766 0.290 -15.058 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.233 1.638 -16.076 1.00 0.00 H new