USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 809 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot -83:sc= -0.374 USER MOD Set 2.1: A 6 SER OG : rot 173:sc= -2.09 USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.933 USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00365 USER MOD Single : A 15 THR OG1 : rot 10:sc= 0.337 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -109:sc= -0.26 (180deg=-2.72!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.028) USER MOD Single : A 42 TYR OH : rot 70:sc= -0.1 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 47 CYS SG : rot 27:sc= -0.0887 USER MOD Single : A 51 THR OG1 : rot -25:sc= 1.17 USER MOD Single : A 58 ASN : amide:sc= -1.94! C(o=-1.9!,f=-7.9!) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.0443 (180deg=-0.344) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= -0.573 (180deg=-1.84!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -4.51! C(o=-4.5!,f=-15!) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0798 (180deg=-0.329) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00489 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0571) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.923 -9.615 -7.519 1.00 0.00 N ATOM 2 CA GLY A 1 -26.134 -9.764 -8.727 1.00 0.00 C ATOM 3 C GLY A 1 -24.922 -10.650 -8.523 1.00 0.00 C ATOM 4 O GLY A 1 -25.031 -11.745 -7.971 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.740 -9.000 -7.711 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.258 -10.548 -7.206 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.338 -9.189 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.759 -10.184 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.808 -8.781 -9.068 1.00 0.00 H new ATOM 8 N SER A 2 -23.763 -10.178 -8.970 1.00 0.00 N ATOM 9 CA SER A 2 -22.525 -10.938 -8.837 1.00 0.00 C ATOM 10 C SER A 2 -21.571 -10.258 -7.861 1.00 0.00 C ATOM 11 O SER A 2 -21.624 -9.043 -7.669 1.00 0.00 O ATOM 12 CB SER A 2 -21.851 -11.096 -10.201 1.00 0.00 C ATOM 13 OG SER A 2 -21.474 -9.837 -10.732 1.00 0.00 O ATOM 0 H SER A 2 -23.655 -9.273 -9.428 1.00 0.00 H new ATOM 0 HA SER A 2 -22.774 -11.924 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.971 -11.732 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.531 -11.596 -10.891 1.00 0.00 H new ATOM 0 HG SER A 2 -21.044 -9.965 -11.603 1.00 0.00 H new ATOM 19 N SER A 3 -20.700 -11.050 -7.245 1.00 0.00 N ATOM 20 CA SER A 3 -19.735 -10.526 -6.285 1.00 0.00 C ATOM 21 C SER A 3 -18.770 -9.555 -6.959 1.00 0.00 C ATOM 22 O SER A 3 -18.345 -9.772 -8.093 1.00 0.00 O ATOM 23 CB SER A 3 -18.955 -11.671 -5.637 1.00 0.00 C ATOM 24 OG SER A 3 -18.361 -11.258 -4.419 1.00 0.00 O ATOM 0 H SER A 3 -20.642 -12.058 -7.393 1.00 0.00 H new ATOM 0 HA SER A 3 -20.284 -9.987 -5.513 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.624 -12.512 -5.452 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.183 -12.022 -6.321 1.00 0.00 H new ATOM 0 HG SER A 3 -17.870 -12.008 -4.024 1.00 0.00 H new ATOM 30 N GLY A 4 -18.429 -8.483 -6.252 1.00 0.00 N ATOM 31 CA GLY A 4 -17.517 -7.494 -6.796 1.00 0.00 C ATOM 32 C GLY A 4 -17.336 -6.303 -5.876 1.00 0.00 C ATOM 33 O GLY A 4 -16.878 -6.450 -4.743 1.00 0.00 O ATOM 0 H GLY A 4 -18.768 -8.281 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.548 -7.959 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.892 -7.151 -7.760 1.00 0.00 H new ATOM 37 N SER A 5 -17.694 -5.120 -6.365 1.00 0.00 N ATOM 38 CA SER A 5 -17.563 -3.898 -5.580 1.00 0.00 C ATOM 39 C SER A 5 -18.149 -4.083 -4.184 1.00 0.00 C ATOM 40 O SER A 5 -19.285 -4.532 -4.030 1.00 0.00 O ATOM 41 CB SER A 5 -18.262 -2.735 -6.288 1.00 0.00 C ATOM 42 OG SER A 5 -17.711 -2.517 -7.575 1.00 0.00 O ATOM 0 H SER A 5 -18.077 -4.982 -7.300 1.00 0.00 H new ATOM 0 HA SER A 5 -16.501 -3.671 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.328 -2.946 -6.376 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.165 -1.829 -5.689 1.00 0.00 H new ATOM 0 HG SER A 5 -18.175 -1.770 -8.008 1.00 0.00 H new ATOM 48 N SER A 6 -17.365 -3.734 -3.169 1.00 0.00 N ATOM 49 CA SER A 6 -17.803 -3.866 -1.784 1.00 0.00 C ATOM 50 C SER A 6 -18.888 -2.843 -1.458 1.00 0.00 C ATOM 51 O SER A 6 -19.261 -2.028 -2.300 1.00 0.00 O ATOM 52 CB SER A 6 -16.618 -3.690 -0.833 1.00 0.00 C ATOM 53 OG SER A 6 -15.640 -4.692 -1.046 1.00 0.00 O ATOM 0 H SER A 6 -16.423 -3.358 -3.280 1.00 0.00 H new ATOM 0 HA SER A 6 -18.219 -4.865 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.173 -2.706 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.967 -3.731 0.199 1.00 0.00 H new ATOM 0 HG SER A 6 -14.845 -4.493 -0.508 1.00 0.00 H new ATOM 59 N GLY A 7 -19.390 -2.894 -0.228 1.00 0.00 N ATOM 60 CA GLY A 7 -20.426 -1.968 0.189 1.00 0.00 C ATOM 61 C GLY A 7 -19.864 -0.639 0.653 1.00 0.00 C ATOM 62 O GLY A 7 -20.568 0.371 0.669 1.00 0.00 O ATOM 0 H GLY A 7 -19.098 -3.560 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.113 -1.799 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.005 -2.416 0.996 1.00 0.00 H new ATOM 66 N THR A 8 -18.590 -0.637 1.034 1.00 0.00 N ATOM 67 CA THR A 8 -17.934 0.577 1.503 1.00 0.00 C ATOM 68 C THR A 8 -17.039 1.171 0.422 1.00 0.00 C ATOM 69 O THR A 8 -16.839 0.568 -0.632 1.00 0.00 O ATOM 70 CB THR A 8 -17.089 0.308 2.763 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.672 -0.754 3.526 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.985 1.559 3.622 1.00 0.00 C ATOM 0 H THR A 8 -17.992 -1.463 1.027 1.00 0.00 H new ATOM 0 HA THR A 8 -18.723 1.288 1.749 1.00 0.00 H new ATOM 0 HB THR A 8 -16.087 0.020 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.128 -0.920 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.384 1.345 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 8 -16.514 2.357 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.982 1.873 3.929 1.00 0.00 H new ATOM 80 N SER A 9 -16.502 2.357 0.691 1.00 0.00 N ATOM 81 CA SER A 9 -15.629 3.034 -0.261 1.00 0.00 C ATOM 82 C SER A 9 -14.170 2.655 -0.027 1.00 0.00 C ATOM 83 O SER A 9 -13.718 2.494 1.107 1.00 0.00 O ATOM 84 CB SER A 9 -15.797 4.551 -0.150 1.00 0.00 C ATOM 85 OG SER A 9 -15.195 5.213 -1.248 1.00 0.00 O ATOM 0 H SER A 9 -16.656 2.869 1.560 1.00 0.00 H new ATOM 0 HA SER A 9 -15.912 2.716 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.857 4.800 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.350 4.902 0.780 1.00 0.00 H new ATOM 0 HG SER A 9 -15.318 6.181 -1.154 1.00 0.00 H new ATOM 91 N PRO A 10 -13.415 2.506 -1.125 1.00 0.00 N ATOM 92 CA PRO A 10 -11.996 2.144 -1.067 1.00 0.00 C ATOM 93 C PRO A 10 -11.133 3.269 -0.506 1.00 0.00 C ATOM 94 O PRO A 10 -11.584 4.401 -0.330 1.00 0.00 O ATOM 95 CB PRO A 10 -11.637 1.874 -2.530 1.00 0.00 C ATOM 96 CG PRO A 10 -12.618 2.677 -3.314 1.00 0.00 C ATOM 97 CD PRO A 10 -13.888 2.681 -2.509 1.00 0.00 C ATOM 0 HA PRO A 10 -11.820 1.294 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.613 2.176 -2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.714 0.813 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.253 3.692 -3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.782 2.240 -4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.438 3.614 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.557 1.875 -2.810 1.00 0.00 H new ATOM 105 N PRO A 11 -9.861 2.953 -0.218 1.00 0.00 N ATOM 106 CA PRO A 11 -8.908 3.925 0.327 1.00 0.00 C ATOM 107 C PRO A 11 -8.516 4.987 -0.694 1.00 0.00 C ATOM 108 O PRO A 11 -8.135 4.670 -1.822 1.00 0.00 O ATOM 109 CB PRO A 11 -7.697 3.066 0.696 1.00 0.00 C ATOM 110 CG PRO A 11 -7.788 1.878 -0.199 1.00 0.00 C ATOM 111 CD PRO A 11 -9.256 1.624 -0.402 1.00 0.00 C ATOM 0 HA PRO A 11 -9.327 4.479 1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.765 3.609 0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.724 2.774 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.289 2.067 -1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.301 1.013 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.461 1.223 -1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.642 0.903 0.319 1.00 0.00 H new ATOM 119 N THR A 12 -8.611 6.251 -0.293 1.00 0.00 N ATOM 120 CA THR A 12 -8.267 7.361 -1.174 1.00 0.00 C ATOM 121 C THR A 12 -6.993 8.057 -0.709 1.00 0.00 C ATOM 122 O THR A 12 -6.375 7.650 0.276 1.00 0.00 O ATOM 123 CB THR A 12 -9.407 8.395 -1.246 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.590 9.012 0.033 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.705 7.738 -1.690 1.00 0.00 C ATOM 0 H THR A 12 -8.923 6.532 0.637 1.00 0.00 H new ATOM 0 HA THR A 12 -8.106 6.939 -2.166 1.00 0.00 H new ATOM 0 HB THR A 12 -9.134 9.155 -1.979 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.315 9.669 -0.022 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.496 8.487 -1.734 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.570 7.295 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.981 6.960 -0.978 1.00 0.00 H new ATOM 133 N LEU A 13 -6.605 9.108 -1.422 1.00 0.00 N ATOM 134 CA LEU A 13 -5.404 9.863 -1.082 1.00 0.00 C ATOM 135 C LEU A 13 -4.211 8.931 -0.895 1.00 0.00 C ATOM 136 O LEU A 13 -3.485 9.025 0.095 1.00 0.00 O ATOM 137 CB LEU A 13 -5.634 10.677 0.192 1.00 0.00 C ATOM 138 CG LEU A 13 -6.419 11.979 0.024 1.00 0.00 C ATOM 139 CD1 LEU A 13 -6.639 12.647 1.373 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.694 12.920 -0.927 1.00 0.00 C ATOM 0 H LEU A 13 -7.105 9.457 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.186 10.543 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.160 10.049 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.663 10.915 0.627 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.393 11.741 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.199 13.572 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.201 11.977 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.675 12.872 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.267 13.841 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.707 13.151 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.588 12.443 -1.901 1.00 0.00 H new ATOM 152 N LEU A 14 -4.012 8.033 -1.854 1.00 0.00 N ATOM 153 CA LEU A 14 -2.905 7.085 -1.797 1.00 0.00 C ATOM 154 C LEU A 14 -1.621 7.715 -2.329 1.00 0.00 C ATOM 155 O LEU A 14 -1.500 7.992 -3.523 1.00 0.00 O ATOM 156 CB LEU A 14 -3.241 5.829 -2.602 1.00 0.00 C ATOM 157 CG LEU A 14 -2.285 4.648 -2.434 1.00 0.00 C ATOM 158 CD1 LEU A 14 -1.040 4.844 -3.285 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.910 4.469 -0.970 1.00 0.00 C ATOM 0 H LEU A 14 -4.603 7.942 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.748 6.810 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.243 5.502 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.274 6.097 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.792 3.744 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.371 3.994 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.325 4.922 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.530 5.758 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.229 3.624 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.422 5.373 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.810 4.281 -0.384 1.00 0.00 H new ATOM 171 N THR A 15 -0.662 7.937 -1.435 1.00 0.00 N ATOM 172 CA THR A 15 0.613 8.533 -1.813 1.00 0.00 C ATOM 173 C THR A 15 1.730 8.077 -0.882 1.00 0.00 C ATOM 174 O THR A 15 1.481 7.691 0.260 1.00 0.00 O ATOM 175 CB THR A 15 0.541 10.071 -1.797 1.00 0.00 C ATOM 176 OG1 THR A 15 -0.175 10.541 -2.945 1.00 0.00 O ATOM 177 CG2 THR A 15 1.936 10.678 -1.780 1.00 0.00 C ATOM 0 H THR A 15 -0.745 7.713 -0.443 1.00 0.00 H new ATOM 0 HA THR A 15 0.830 8.198 -2.827 1.00 0.00 H new ATOM 0 HB THR A 15 0.017 10.378 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.596 9.783 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.860 11.765 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.468 10.343 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.481 10.362 -2.669 1.00 0.00 H new ATOM 185 N VAL A 16 2.963 8.126 -1.376 1.00 0.00 N ATOM 186 CA VAL A 16 4.120 7.720 -0.587 1.00 0.00 C ATOM 187 C VAL A 16 4.419 8.734 0.512 1.00 0.00 C ATOM 188 O VAL A 16 4.298 9.942 0.306 1.00 0.00 O ATOM 189 CB VAL A 16 5.371 7.553 -1.470 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.513 6.947 -0.669 1.00 0.00 C ATOM 191 CG2 VAL A 16 5.052 6.700 -2.688 1.00 0.00 C ATOM 0 H VAL A 16 3.186 8.443 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 16 3.873 6.760 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 16 5.685 8.538 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.388 6.837 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.757 7.600 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.214 5.969 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.947 6.592 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.713 5.716 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.267 7.180 -3.273 1.00 0.00 H new ATOM 201 N ASP A 17 4.809 8.235 1.679 1.00 0.00 N ATOM 202 CA ASP A 17 5.127 9.097 2.812 1.00 0.00 C ATOM 203 C ASP A 17 6.636 9.266 2.959 1.00 0.00 C ATOM 204 O ASP A 17 7.130 10.375 3.165 1.00 0.00 O ATOM 205 CB ASP A 17 4.538 8.521 4.100 1.00 0.00 C ATOM 206 CG ASP A 17 4.358 9.574 5.175 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.246 10.441 5.313 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.327 9.532 5.880 1.00 0.00 O ATOM 0 H ASP A 17 4.913 7.238 1.866 1.00 0.00 H new ATOM 0 HA ASP A 17 4.686 10.076 2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.575 8.061 3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.191 7.732 4.474 1.00 0.00 H new ATOM 213 N SER A 18 7.364 8.158 2.853 1.00 0.00 N ATOM 214 CA SER A 18 8.816 8.183 2.980 1.00 0.00 C ATOM 215 C SER A 18 9.447 7.020 2.221 1.00 0.00 C ATOM 216 O SER A 18 8.789 6.019 1.936 1.00 0.00 O ATOM 217 CB SER A 18 9.222 8.125 4.454 1.00 0.00 C ATOM 218 OG SER A 18 10.510 8.681 4.650 1.00 0.00 O ATOM 0 H SER A 18 6.972 7.233 2.680 1.00 0.00 H new ATOM 0 HA SER A 18 9.178 9.116 2.548 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.493 8.667 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.213 7.090 4.797 1.00 0.00 H new ATOM 0 HG SER A 18 10.746 8.634 5.600 1.00 0.00 H new ATOM 224 N VAL A 19 10.729 7.159 1.895 1.00 0.00 N ATOM 225 CA VAL A 19 11.451 6.121 1.170 1.00 0.00 C ATOM 226 C VAL A 19 12.921 6.090 1.573 1.00 0.00 C ATOM 227 O VAL A 19 13.593 7.122 1.594 1.00 0.00 O ATOM 228 CB VAL A 19 11.352 6.328 -0.354 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.170 5.278 -1.089 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.899 6.294 -0.802 1.00 0.00 C ATOM 0 H VAL A 19 11.288 7.981 2.122 1.00 0.00 H new ATOM 0 HA VAL A 19 10.986 5.171 1.431 1.00 0.00 H new ATOM 0 HB VAL A 19 11.761 7.309 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.088 5.440 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.215 5.355 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.794 4.285 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.847 6.442 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.462 5.329 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.345 7.087 -0.300 1.00 0.00 H new ATOM 240 N THR A 20 13.416 4.898 1.892 1.00 0.00 N ATOM 241 CA THR A 20 14.807 4.732 2.296 1.00 0.00 C ATOM 242 C THR A 20 15.505 3.681 1.441 1.00 0.00 C ATOM 243 O THR A 20 14.883 3.046 0.589 1.00 0.00 O ATOM 244 CB THR A 20 14.917 4.328 3.778 1.00 0.00 C ATOM 245 OG1 THR A 20 13.827 4.885 4.520 1.00 0.00 O ATOM 246 CG2 THR A 20 16.235 4.801 4.371 1.00 0.00 C ATOM 0 H THR A 20 12.875 4.034 1.878 1.00 0.00 H new ATOM 0 HA THR A 20 15.295 5.696 2.153 1.00 0.00 H new ATOM 0 HB THR A 20 14.879 3.240 3.839 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.904 4.622 5.461 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.290 4.504 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.063 4.352 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.298 5.887 4.298 1.00 0.00 H new ATOM 254 N ASP A 21 16.801 3.502 1.673 1.00 0.00 N ATOM 255 CA ASP A 21 17.584 2.525 0.925 1.00 0.00 C ATOM 256 C ASP A 21 17.425 1.130 1.521 1.00 0.00 C ATOM 257 O ASP A 21 18.077 0.179 1.086 1.00 0.00 O ATOM 258 CB ASP A 21 19.060 2.924 0.914 1.00 0.00 C ATOM 259 CG ASP A 21 19.713 2.763 2.273 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.982 2.538 3.259 1.00 0.00 O ATOM 261 OD2 ASP A 21 20.956 2.863 2.350 1.00 0.00 O ATOM 0 H ASP A 21 17.331 4.021 2.373 1.00 0.00 H new ATOM 0 HA ASP A 21 17.213 2.506 -0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.593 2.315 0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.151 3.961 0.591 1.00 0.00 H new ATOM 266 N THR A 22 16.556 1.014 2.520 1.00 0.00 N ATOM 267 CA THR A 22 16.314 -0.264 3.177 1.00 0.00 C ATOM 268 C THR A 22 14.846 -0.665 3.076 1.00 0.00 C ATOM 269 O THR A 22 14.524 -1.801 2.727 1.00 0.00 O ATOM 270 CB THR A 22 16.720 -0.218 4.662 1.00 0.00 C ATOM 271 OG1 THR A 22 16.376 1.052 5.226 1.00 0.00 O ATOM 272 CG2 THR A 22 18.214 -0.461 4.822 1.00 0.00 C ATOM 0 H THR A 22 16.008 1.790 2.892 1.00 0.00 H new ATOM 0 HA THR A 22 16.927 -1.004 2.663 1.00 0.00 H new ATOM 0 HB THR A 22 16.180 -1.006 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.636 1.072 6.171 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.478 -0.424 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.468 -1.441 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.767 0.308 4.283 1.00 0.00 H new ATOM 280 N THR A 23 13.958 0.276 3.383 1.00 0.00 N ATOM 281 CA THR A 23 12.524 0.021 3.327 1.00 0.00 C ATOM 282 C THR A 23 11.761 1.267 2.893 1.00 0.00 C ATOM 283 O THR A 23 12.273 2.383 2.980 1.00 0.00 O ATOM 284 CB THR A 23 11.984 -0.449 4.691 1.00 0.00 C ATOM 285 OG1 THR A 23 12.324 0.501 5.707 1.00 0.00 O ATOM 286 CG2 THR A 23 12.549 -1.813 5.056 1.00 0.00 C ATOM 0 H THR A 23 14.207 1.222 3.673 1.00 0.00 H new ATOM 0 HA THR A 23 12.371 -0.769 2.592 1.00 0.00 H new ATOM 0 HB THR A 23 10.899 -0.530 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.975 0.195 6.570 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.153 -2.124 6.023 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.263 -2.540 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.636 -1.754 5.111 1.00 0.00 H new ATOM 294 N VAL A 24 10.532 1.069 2.425 1.00 0.00 N ATOM 295 CA VAL A 24 9.697 2.177 1.978 1.00 0.00 C ATOM 296 C VAL A 24 8.437 2.293 2.829 1.00 0.00 C ATOM 297 O VAL A 24 7.901 1.292 3.304 1.00 0.00 O ATOM 298 CB VAL A 24 9.293 2.015 0.501 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.522 1.803 -0.369 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.311 0.865 0.340 1.00 0.00 C ATOM 0 H VAL A 24 10.093 0.152 2.346 1.00 0.00 H new ATOM 0 HA VAL A 24 10.290 3.085 2.087 1.00 0.00 H new ATOM 0 HB VAL A 24 8.801 2.931 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.216 1.691 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.186 2.663 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.046 0.904 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.037 0.765 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.774 -0.060 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.417 1.064 0.931 1.00 0.00 H new ATOM 310 N THR A 25 7.968 3.523 3.017 1.00 0.00 N ATOM 311 CA THR A 25 6.771 3.771 3.810 1.00 0.00 C ATOM 312 C THR A 25 5.637 4.305 2.943 1.00 0.00 C ATOM 313 O THR A 25 5.872 5.021 1.970 1.00 0.00 O ATOM 314 CB THR A 25 7.048 4.772 4.948 1.00 0.00 C ATOM 315 OG1 THR A 25 8.295 4.461 5.580 1.00 0.00 O ATOM 316 CG2 THR A 25 5.930 4.744 5.978 1.00 0.00 C ATOM 0 H THR A 25 8.399 4.363 2.631 1.00 0.00 H new ATOM 0 HA THR A 25 6.475 2.815 4.241 1.00 0.00 H new ATOM 0 HB THR A 25 7.098 5.773 4.518 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.465 5.102 6.301 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.148 5.459 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.987 5.010 5.499 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.852 3.743 6.403 1.00 0.00 H new ATOM 324 N MET A 26 4.407 3.955 3.303 1.00 0.00 N ATOM 325 CA MET A 26 3.236 4.402 2.558 1.00 0.00 C ATOM 326 C MET A 26 2.180 4.977 3.497 1.00 0.00 C ATOM 327 O MET A 26 2.188 4.702 4.697 1.00 0.00 O ATOM 328 CB MET A 26 2.643 3.243 1.754 1.00 0.00 C ATOM 329 CG MET A 26 3.475 2.857 0.541 1.00 0.00 C ATOM 330 SD MET A 26 3.565 4.174 -0.687 1.00 0.00 S ATOM 331 CE MET A 26 1.927 4.081 -1.404 1.00 0.00 C ATOM 0 H MET A 26 4.195 3.363 4.106 1.00 0.00 H new ATOM 0 HA MET A 26 3.552 5.187 1.871 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.540 2.375 2.405 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.640 3.515 1.425 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.483 2.598 0.864 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.048 1.965 0.081 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.994 3.678 -2.414 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.300 3.430 -0.795 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.488 5.078 -1.440 1.00 0.00 H new ATOM 341 N ARG A 27 1.274 5.775 2.943 1.00 0.00 N ATOM 342 CA ARG A 27 0.213 6.389 3.733 1.00 0.00 C ATOM 343 C ARG A 27 -1.049 6.578 2.895 1.00 0.00 C ATOM 344 O ARG A 27 -0.983 6.677 1.670 1.00 0.00 O ATOM 345 CB ARG A 27 0.676 7.738 4.287 1.00 0.00 C ATOM 346 CG ARG A 27 0.829 8.813 3.224 1.00 0.00 C ATOM 347 CD ARG A 27 0.668 10.206 3.813 1.00 0.00 C ATOM 348 NE ARG A 27 -0.736 10.567 3.988 1.00 0.00 N ATOM 349 CZ ARG A 27 -1.149 11.797 4.271 1.00 0.00 C ATOM 350 NH1 ARG A 27 -0.269 12.780 4.409 1.00 0.00 N ATOM 351 NH2 ARG A 27 -2.444 12.048 4.415 1.00 0.00 N ATOM 0 H ARG A 27 1.253 6.012 1.951 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.019 5.723 4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.039 8.079 5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.630 7.604 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.809 8.726 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.087 8.660 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.177 10.254 4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.151 10.934 3.161 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.438 9.834 3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.727 12.592 4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.589 13.724 4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.124 11.296 4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.759 12.993 4.632 1.00 0.00 H new ATOM 365 N TRP A 28 -2.195 6.625 3.564 1.00 0.00 N ATOM 366 CA TRP A 28 -3.472 6.801 2.881 1.00 0.00 C ATOM 367 C TRP A 28 -4.542 7.297 3.846 1.00 0.00 C ATOM 368 O TRP A 28 -4.287 7.461 5.039 1.00 0.00 O ATOM 369 CB TRP A 28 -3.916 5.485 2.240 1.00 0.00 C ATOM 370 CG TRP A 28 -4.005 4.350 3.214 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.019 4.104 4.096 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.042 3.308 3.407 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.744 2.973 4.825 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.537 2.465 4.421 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.810 3.005 2.821 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -2.843 1.341 4.860 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.122 1.889 3.258 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.639 1.068 4.269 1.00 0.00 C ATOM 0 H TRP A 28 -2.267 6.544 4.578 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.338 7.550 2.101 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.889 5.628 1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.215 5.220 1.448 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.906 4.710 4.204 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.341 2.575 5.550 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.403 3.631 2.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.240 0.707 5.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.169 1.645 2.812 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.077 0.203 4.588 1.00 0.00 H new ATOM 389 N ARG A 29 -5.740 7.535 3.323 1.00 0.00 N ATOM 390 CA ARG A 29 -6.849 8.014 4.140 1.00 0.00 C ATOM 391 C ARG A 29 -8.046 7.074 4.036 1.00 0.00 C ATOM 392 O ARG A 29 -8.337 6.513 2.979 1.00 0.00 O ATOM 393 CB ARG A 29 -7.256 9.424 3.710 1.00 0.00 C ATOM 394 CG ARG A 29 -8.744 9.699 3.851 1.00 0.00 C ATOM 395 CD ARG A 29 -9.008 11.139 4.261 1.00 0.00 C ATOM 396 NE ARG A 29 -10.255 11.649 3.697 1.00 0.00 N ATOM 397 CZ ARG A 29 -10.455 11.825 2.396 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.496 11.532 1.529 1.00 0.00 N ATOM 399 NH2 ARG A 29 -11.618 12.293 1.959 1.00 0.00 N ATOM 0 H ARG A 29 -5.968 7.404 2.337 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.518 8.040 5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.703 10.150 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.964 9.576 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.245 9.491 2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.171 9.024 4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.048 11.205 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.179 11.767 3.934 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.014 11.883 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.602 11.170 1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.652 11.668 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.359 12.518 2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.770 12.428 0.959 1.00 0.00 H new ATOM 413 N PRO A 30 -8.758 6.895 5.159 1.00 0.00 N ATOM 414 CA PRO A 30 -9.935 6.023 5.220 1.00 0.00 C ATOM 415 C PRO A 30 -11.118 6.592 4.444 1.00 0.00 C ATOM 416 O PRO A 30 -11.142 7.765 4.072 1.00 0.00 O ATOM 417 CB PRO A 30 -10.256 5.964 6.716 1.00 0.00 C ATOM 418 CG PRO A 30 -9.693 7.226 7.274 1.00 0.00 C ATOM 419 CD PRO A 30 -8.469 7.531 6.455 1.00 0.00 C ATOM 0 HA PRO A 30 -9.743 5.048 4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.330 5.900 6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.805 5.089 7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.417 8.038 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.438 7.108 8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.313 8.605 6.350 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.568 7.121 6.911 1.00 0.00 H new ATOM 427 N PRO A 31 -12.125 5.742 4.193 1.00 0.00 N ATOM 428 CA PRO A 31 -13.331 6.138 3.459 1.00 0.00 C ATOM 429 C PRO A 31 -14.208 7.095 4.259 1.00 0.00 C ATOM 430 O PRO A 31 -14.391 6.924 5.464 1.00 0.00 O ATOM 431 CB PRO A 31 -14.058 4.811 3.229 1.00 0.00 C ATOM 432 CG PRO A 31 -13.586 3.925 4.330 1.00 0.00 C ATOM 433 CD PRO A 31 -12.164 4.329 4.606 1.00 0.00 C ATOM 0 HA PRO A 31 -13.092 6.673 2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.140 4.941 3.262 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.817 4.392 2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.205 4.044 5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.644 2.876 4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.910 4.211 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.457 3.725 4.038 1.00 0.00 H new ATOM 441 N ASP A 32 -14.748 8.102 3.581 1.00 0.00 N ATOM 442 CA ASP A 32 -15.608 9.086 4.229 1.00 0.00 C ATOM 443 C ASP A 32 -16.774 8.405 4.938 1.00 0.00 C ATOM 444 O ASP A 32 -17.137 8.776 6.055 1.00 0.00 O ATOM 445 CB ASP A 32 -16.135 10.089 3.202 1.00 0.00 C ATOM 446 CG ASP A 32 -17.179 11.021 3.785 1.00 0.00 C ATOM 447 OD1 ASP A 32 -16.792 11.993 4.467 1.00 0.00 O ATOM 448 OD2 ASP A 32 -18.383 10.778 3.559 1.00 0.00 O ATOM 0 H ASP A 32 -14.606 8.258 2.583 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.014 9.618 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.304 10.677 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.565 9.549 2.359 1.00 0.00 H new ATOM 453 N HIS A 33 -17.358 7.407 4.282 1.00 0.00 N ATOM 454 CA HIS A 33 -18.484 6.674 4.850 1.00 0.00 C ATOM 455 C HIS A 33 -18.094 5.232 5.158 1.00 0.00 C ATOM 456 O HIS A 33 -17.077 4.737 4.671 1.00 0.00 O ATOM 457 CB HIS A 33 -19.673 6.700 3.889 1.00 0.00 C ATOM 458 CG HIS A 33 -20.998 6.544 4.570 1.00 0.00 C ATOM 459 ND1 HIS A 33 -21.584 7.546 5.315 1.00 0.00 N ATOM 460 CD2 HIS A 33 -21.852 5.495 4.616 1.00 0.00 C ATOM 461 CE1 HIS A 33 -22.740 7.120 5.790 1.00 0.00 C ATOM 462 NE2 HIS A 33 -22.927 5.878 5.380 1.00 0.00 N ATOM 0 H HIS A 33 -17.070 7.088 3.357 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.770 7.161 5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.665 7.641 3.340 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.554 5.902 3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.714 4.535 4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -23.418 7.690 6.409 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -23.738 5.298 5.596 1.00 0.00 H new ATOM 471 N ILE A 34 -18.908 4.564 5.968 1.00 0.00 N ATOM 472 CA ILE A 34 -18.648 3.179 6.340 1.00 0.00 C ATOM 473 C ILE A 34 -19.875 2.306 6.100 1.00 0.00 C ATOM 474 O ILE A 34 -20.966 2.604 6.584 1.00 0.00 O ATOM 475 CB ILE A 34 -18.229 3.062 7.817 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.891 3.768 8.048 1.00 0.00 C ATOM 477 CG2 ILE A 34 -18.140 1.600 8.228 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.702 2.999 7.514 1.00 0.00 C ATOM 0 H ILE A 34 -19.753 4.960 6.379 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.829 2.831 5.710 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.986 3.547 8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.921 4.750 7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.756 3.933 9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.843 1.534 9.275 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -19.112 1.125 8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.401 1.092 7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.788 3.558 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.647 2.027 8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.814 2.856 6.439 1.00 0.00 H new ATOM 490 N GLY A 35 -19.687 1.223 5.352 1.00 0.00 N ATOM 491 CA GLY A 35 -20.787 0.321 5.062 1.00 0.00 C ATOM 492 C GLY A 35 -21.453 -0.203 6.319 1.00 0.00 C ATOM 493 O GLY A 35 -20.805 -0.360 7.354 1.00 0.00 O ATOM 0 H GLY A 35 -18.793 0.954 4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.527 0.839 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -20.419 -0.519 4.472 1.00 0.00 H new ATOM 497 N ALA A 36 -22.751 -0.472 6.230 1.00 0.00 N ATOM 498 CA ALA A 36 -23.506 -0.981 7.369 1.00 0.00 C ATOM 499 C ALA A 36 -22.767 -2.131 8.047 1.00 0.00 C ATOM 500 O ALA A 36 -22.713 -2.208 9.274 1.00 0.00 O ATOM 501 CB ALA A 36 -24.891 -1.428 6.927 1.00 0.00 C ATOM 0 H ALA A 36 -23.302 -0.346 5.381 1.00 0.00 H new ATOM 0 HA ALA A 36 -23.612 -0.174 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -25.443 -1.806 7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -25.426 -0.582 6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -24.798 -2.217 6.181 1.00 0.00 H new ATOM 507 N ALA A 37 -22.202 -3.022 7.239 1.00 0.00 N ATOM 508 CA ALA A 37 -21.466 -4.167 7.761 1.00 0.00 C ATOM 509 C ALA A 37 -20.280 -3.718 8.607 1.00 0.00 C ATOM 510 O ALA A 37 -19.958 -4.336 9.621 1.00 0.00 O ATOM 511 CB ALA A 37 -20.996 -5.057 6.620 1.00 0.00 C ATOM 0 H ALA A 37 -22.240 -2.973 6.221 1.00 0.00 H new ATOM 0 HA ALA A 37 -22.139 -4.739 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -20.448 -5.908 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -21.859 -5.415 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -20.344 -4.487 5.959 1.00 0.00 H new ATOM 517 N GLY A 38 -19.631 -2.637 8.183 1.00 0.00 N ATOM 518 CA GLY A 38 -18.487 -2.124 8.913 1.00 0.00 C ATOM 519 C GLY A 38 -17.195 -2.249 8.129 1.00 0.00 C ATOM 520 O GLY A 38 -17.170 -2.845 7.052 1.00 0.00 O ATOM 0 H GLY A 38 -19.878 -2.108 7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.658 -1.076 9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.390 -2.663 9.856 1.00 0.00 H new ATOM 524 N LEU A 39 -16.121 -1.685 8.669 1.00 0.00 N ATOM 525 CA LEU A 39 -14.819 -1.735 8.012 1.00 0.00 C ATOM 526 C LEU A 39 -13.822 -2.541 8.839 1.00 0.00 C ATOM 527 O LEU A 39 -13.761 -2.405 10.061 1.00 0.00 O ATOM 528 CB LEU A 39 -14.285 -0.319 7.787 1.00 0.00 C ATOM 529 CG LEU A 39 -12.775 -0.196 7.584 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.382 -0.681 6.197 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.324 1.242 7.796 1.00 0.00 C ATOM 0 H LEU A 39 -16.125 -1.188 9.560 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.945 -2.227 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.784 0.102 6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.568 0.295 8.642 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.276 -0.825 8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.304 -0.586 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.670 -1.726 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.890 -0.079 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.246 1.311 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.831 1.891 7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.571 1.555 8.810 1.00 0.00 H new ATOM 543 N ASP A 40 -13.042 -3.378 8.164 1.00 0.00 N ATOM 544 CA ASP A 40 -12.045 -4.204 8.835 1.00 0.00 C ATOM 545 C ASP A 40 -10.654 -3.948 8.264 1.00 0.00 C ATOM 546 O ASP A 40 -10.271 -4.531 7.251 1.00 0.00 O ATOM 547 CB ASP A 40 -12.402 -5.685 8.698 1.00 0.00 C ATOM 548 CG ASP A 40 -13.782 -6.000 9.240 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.773 -5.752 8.522 1.00 0.00 O ATOM 550 OD2 ASP A 40 -13.872 -6.495 10.384 1.00 0.00 O ATOM 0 H ASP A 40 -13.081 -3.502 7.152 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.039 -3.936 9.892 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.353 -5.972 7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.661 -6.285 9.227 1.00 0.00 H new ATOM 555 N GLY A 41 -9.902 -3.071 8.922 1.00 0.00 N ATOM 556 CA GLY A 41 -8.562 -2.752 8.464 1.00 0.00 C ATOM 557 C GLY A 41 -8.470 -2.669 6.954 1.00 0.00 C ATOM 558 O GLY A 41 -9.425 -2.269 6.287 1.00 0.00 O ATOM 0 H GLY A 41 -10.197 -2.576 9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.250 -1.801 8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.868 -3.510 8.826 1.00 0.00 H new ATOM 562 N TYR A 42 -7.317 -3.046 6.412 1.00 0.00 N ATOM 563 CA TYR A 42 -7.102 -3.008 4.970 1.00 0.00 C ATOM 564 C TYR A 42 -6.035 -4.016 4.552 1.00 0.00 C ATOM 565 O TYR A 42 -5.355 -4.603 5.393 1.00 0.00 O ATOM 566 CB TYR A 42 -6.691 -1.602 4.531 1.00 0.00 C ATOM 567 CG TYR A 42 -7.334 -0.501 5.345 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.734 -0.029 6.506 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.540 0.065 4.954 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.318 0.975 7.254 1.00 0.00 C ATOM 571 CE2 TYR A 42 -9.130 1.071 5.694 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.516 1.523 6.843 1.00 0.00 C ATOM 573 OH TYR A 42 -9.101 2.524 7.584 1.00 0.00 O ATOM 0 H TYR A 42 -6.517 -3.381 6.949 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.039 -3.274 4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.607 -1.510 4.603 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.953 -1.467 3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.795 -0.454 6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -9.025 -0.287 4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.840 1.329 8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.068 1.501 5.374 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.570 3.344 7.504 1.00 0.00 H new ATOM 583 N VAL A 43 -5.894 -4.210 3.245 1.00 0.00 N ATOM 584 CA VAL A 43 -4.909 -5.144 2.712 1.00 0.00 C ATOM 585 C VAL A 43 -3.981 -4.457 1.718 1.00 0.00 C ATOM 586 O VAL A 43 -4.435 -3.802 0.778 1.00 0.00 O ATOM 587 CB VAL A 43 -5.588 -6.342 2.021 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.546 -7.324 1.509 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.556 -7.027 2.974 1.00 0.00 C ATOM 0 H VAL A 43 -6.450 -3.733 2.535 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.325 -5.505 3.559 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.155 -5.973 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.044 -8.163 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.896 -6.824 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.949 -7.690 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.027 -7.871 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.013 -7.384 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.322 -6.318 3.286 1.00 0.00 H new ATOM 599 N LEU A 44 -2.679 -4.611 1.929 1.00 0.00 N ATOM 600 CA LEU A 44 -1.684 -4.005 1.050 1.00 0.00 C ATOM 601 C LEU A 44 -0.796 -5.071 0.416 1.00 0.00 C ATOM 602 O LEU A 44 -0.680 -6.182 0.933 1.00 0.00 O ATOM 603 CB LEU A 44 -0.826 -3.007 1.830 1.00 0.00 C ATOM 604 CG LEU A 44 0.114 -2.136 0.996 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.331 -0.790 1.669 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.443 -2.844 0.776 1.00 0.00 C ATOM 0 H LEU A 44 -2.287 -5.150 2.701 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.211 -3.478 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.489 -2.353 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.229 -3.560 2.555 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.348 -1.964 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.003 -0.183 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.625 -0.278 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.772 -0.943 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.099 -2.209 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.911 -3.047 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.272 -3.783 0.250 1.00 0.00 H new ATOM 618 N GLU A 45 -0.171 -4.724 -0.704 1.00 0.00 N ATOM 619 CA GLU A 45 0.708 -5.651 -1.407 1.00 0.00 C ATOM 620 C GLU A 45 1.640 -4.904 -2.357 1.00 0.00 C ATOM 621 O GLU A 45 1.512 -3.694 -2.546 1.00 0.00 O ATOM 622 CB GLU A 45 -0.116 -6.678 -2.186 1.00 0.00 C ATOM 623 CG GLU A 45 -0.898 -7.631 -1.298 1.00 0.00 C ATOM 624 CD GLU A 45 -1.328 -8.889 -2.027 1.00 0.00 C ATOM 625 OE1 GLU A 45 -0.449 -9.580 -2.586 1.00 0.00 O ATOM 626 OE2 GLU A 45 -2.541 -9.183 -2.040 1.00 0.00 O ATOM 0 H GLU A 45 -0.257 -3.808 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 45 1.315 -6.170 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.811 -6.152 -2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.551 -7.256 -2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.286 -7.905 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.780 -7.120 -0.912 1.00 0.00 H new ATOM 633 N TYR A 46 2.577 -5.634 -2.952 1.00 0.00 N ATOM 634 CA TYR A 46 3.533 -5.041 -3.880 1.00 0.00 C ATOM 635 C TYR A 46 3.966 -6.053 -4.936 1.00 0.00 C ATOM 636 O TYR A 46 4.231 -7.215 -4.626 1.00 0.00 O ATOM 637 CB TYR A 46 4.756 -4.521 -3.123 1.00 0.00 C ATOM 638 CG TYR A 46 5.614 -5.618 -2.533 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.209 -6.309 -1.398 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.829 -5.963 -3.112 1.00 0.00 C ATOM 641 CE1 TYR A 46 5.990 -7.311 -0.856 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.616 -6.964 -2.577 1.00 0.00 C ATOM 643 CZ TYR A 46 7.193 -7.635 -1.449 1.00 0.00 C ATOM 644 OH TYR A 46 7.973 -8.634 -0.913 1.00 0.00 O ATOM 0 H TYR A 46 2.695 -6.637 -2.808 1.00 0.00 H new ATOM 0 HA TYR A 46 3.044 -4.206 -4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.364 -3.920 -3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.424 -3.861 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.268 -6.059 -0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.164 -5.440 -3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.661 -7.838 0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.558 -7.220 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 46 8.786 -8.738 -1.450 1.00 0.00 H new ATOM 654 N CYS A 47 4.037 -5.602 -6.183 1.00 0.00 N ATOM 655 CA CYS A 47 4.439 -6.468 -7.287 1.00 0.00 C ATOM 656 C CYS A 47 5.840 -6.113 -7.774 1.00 0.00 C ATOM 657 O CYS A 47 6.033 -5.113 -8.466 1.00 0.00 O ATOM 658 CB CYS A 47 3.441 -6.354 -8.440 1.00 0.00 C ATOM 659 SG CYS A 47 3.967 -7.187 -9.957 1.00 0.00 S ATOM 0 H CYS A 47 3.822 -4.643 -6.456 1.00 0.00 H new ATOM 0 HA CYS A 47 4.450 -7.496 -6.925 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.485 -6.771 -8.122 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.272 -5.299 -8.657 1.00 0.00 H new ATOM 0 HG CYS A 47 4.770 -8.165 -9.659 1.00 0.00 H new ATOM 665 N PHE A 48 6.815 -6.938 -7.407 1.00 0.00 N ATOM 666 CA PHE A 48 8.199 -6.710 -7.805 1.00 0.00 C ATOM 667 C PHE A 48 8.343 -6.751 -9.323 1.00 0.00 C ATOM 668 O PHE A 48 7.708 -7.563 -9.995 1.00 0.00 O ATOM 669 CB PHE A 48 9.114 -7.756 -7.166 1.00 0.00 C ATOM 670 CG PHE A 48 10.504 -7.253 -6.897 1.00 0.00 C ATOM 671 CD1 PHE A 48 11.463 -7.260 -7.898 1.00 0.00 C ATOM 672 CD2 PHE A 48 10.852 -6.774 -5.645 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.742 -6.799 -7.654 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.130 -6.311 -5.395 1.00 0.00 C ATOM 675 CZ PHE A 48 13.076 -6.323 -6.401 1.00 0.00 C ATOM 0 H PHE A 48 6.672 -7.770 -6.835 1.00 0.00 H new ATOM 0 HA PHE A 48 8.492 -5.719 -7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.670 -8.091 -6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.171 -8.626 -7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.207 -7.630 -8.880 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.116 -6.762 -4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.480 -6.811 -8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.389 -5.940 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.075 -5.961 -6.208 1.00 0.00 H new ATOM 685 N GLU A 49 9.182 -5.868 -9.856 1.00 0.00 N ATOM 686 CA GLU A 49 9.409 -5.803 -11.295 1.00 0.00 C ATOM 687 C GLU A 49 9.758 -7.180 -11.854 1.00 0.00 C ATOM 688 O GLU A 49 10.493 -7.946 -11.233 1.00 0.00 O ATOM 689 CB GLU A 49 10.530 -4.812 -11.614 1.00 0.00 C ATOM 690 CG GLU A 49 11.913 -5.317 -11.237 1.00 0.00 C ATOM 691 CD GLU A 49 12.522 -6.201 -12.308 1.00 0.00 C ATOM 692 OE1 GLU A 49 12.759 -5.700 -13.427 1.00 0.00 O ATOM 693 OE2 GLU A 49 12.761 -7.394 -12.027 1.00 0.00 O ATOM 0 H GLU A 49 9.715 -5.188 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 49 8.488 -5.461 -11.766 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.513 -4.587 -12.680 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.338 -3.877 -11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.570 -4.466 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.850 -5.875 -10.303 1.00 0.00 H new ATOM 700 N GLY A 50 9.224 -7.486 -13.033 1.00 0.00 N ATOM 701 CA GLY A 50 9.489 -8.770 -13.656 1.00 0.00 C ATOM 702 C GLY A 50 8.474 -9.825 -13.265 1.00 0.00 C ATOM 703 O GLY A 50 7.914 -10.508 -14.124 1.00 0.00 O ATOM 0 H GLY A 50 8.613 -6.868 -13.567 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.486 -8.652 -14.740 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.486 -9.108 -13.375 1.00 0.00 H new ATOM 707 N THR A 51 8.234 -9.962 -11.965 1.00 0.00 N ATOM 708 CA THR A 51 7.281 -10.943 -11.462 1.00 0.00 C ATOM 709 C THR A 51 5.848 -10.445 -11.611 1.00 0.00 C ATOM 710 O THR A 51 5.482 -9.409 -11.058 1.00 0.00 O ATOM 711 CB THR A 51 7.546 -11.275 -9.981 1.00 0.00 C ATOM 712 OG1 THR A 51 7.324 -10.115 -9.172 1.00 0.00 O ATOM 713 CG2 THR A 51 8.970 -11.772 -9.784 1.00 0.00 C ATOM 0 H THR A 51 8.687 -9.405 -11.241 1.00 0.00 H new ATOM 0 HA THR A 51 7.412 -11.846 -12.059 1.00 0.00 H new ATOM 0 HB THR A 51 6.858 -12.065 -9.680 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.456 -9.309 -9.713 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.133 -12.000 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.127 -12.672 -10.379 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.672 -11.001 -10.101 1.00 0.00 H new ATOM 721 N GLU A 52 5.043 -11.190 -12.361 1.00 0.00 N ATOM 722 CA GLU A 52 3.649 -10.823 -12.582 1.00 0.00 C ATOM 723 C GLU A 52 2.758 -11.376 -11.474 1.00 0.00 C ATOM 724 O GLU A 52 1.569 -11.620 -11.683 1.00 0.00 O ATOM 725 CB GLU A 52 3.172 -11.339 -13.942 1.00 0.00 C ATOM 726 CG GLU A 52 1.983 -10.575 -14.499 1.00 0.00 C ATOM 727 CD GLU A 52 2.304 -9.120 -14.782 1.00 0.00 C ATOM 728 OE1 GLU A 52 3.476 -8.821 -15.093 1.00 0.00 O ATOM 729 OE2 GLU A 52 1.383 -8.282 -14.693 1.00 0.00 O ATOM 0 H GLU A 52 5.332 -12.051 -12.826 1.00 0.00 H new ATOM 0 HA GLU A 52 3.580 -9.735 -12.570 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.996 -11.281 -14.653 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.906 -12.392 -13.849 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.647 -11.054 -15.418 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.157 -10.630 -13.790 1.00 0.00 H new ATOM 736 N ASP A 53 3.341 -11.573 -10.297 1.00 0.00 N ATOM 737 CA ASP A 53 2.601 -12.097 -9.155 1.00 0.00 C ATOM 738 C ASP A 53 2.723 -11.165 -7.954 1.00 0.00 C ATOM 739 O ASP A 53 3.824 -10.907 -7.466 1.00 0.00 O ATOM 740 CB ASP A 53 3.109 -13.492 -8.788 1.00 0.00 C ATOM 741 CG ASP A 53 4.613 -13.530 -8.602 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.100 -12.977 -7.593 1.00 0.00 O ATOM 743 OD2 ASP A 53 5.304 -14.111 -9.465 1.00 0.00 O ATOM 0 H ASP A 53 4.324 -11.378 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 53 1.550 -12.164 -9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.624 -13.822 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.825 -14.196 -9.570 1.00 0.00 H new ATOM 748 N TRP A 54 1.588 -10.662 -7.484 1.00 0.00 N ATOM 749 CA TRP A 54 1.568 -9.757 -6.340 1.00 0.00 C ATOM 750 C TRP A 54 2.060 -10.462 -5.080 1.00 0.00 C ATOM 751 O TRP A 54 1.577 -11.540 -4.733 1.00 0.00 O ATOM 752 CB TRP A 54 0.156 -9.214 -6.117 1.00 0.00 C ATOM 753 CG TRP A 54 -0.268 -8.219 -7.155 1.00 0.00 C ATOM 754 CD1 TRP A 54 -1.124 -8.436 -8.197 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.146 -6.852 -7.250 1.00 0.00 C ATOM 756 NE1 TRP A 54 -1.266 -7.285 -8.935 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.499 -6.299 -8.374 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.996 -6.040 -6.495 1.00 0.00 C ATOM 759 CZ2 TRP A 54 -0.317 -4.973 -8.759 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.176 -4.724 -6.879 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.521 -4.201 -8.002 1.00 0.00 C ATOM 0 H TRP A 54 0.669 -10.865 -7.877 1.00 0.00 H new ATOM 0 HA TRP A 54 2.239 -8.925 -6.555 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.549 -10.045 -6.112 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.105 -8.747 -5.134 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.616 -9.373 -8.410 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.848 -7.182 -9.766 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.504 -6.433 -5.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.820 -4.568 -9.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.833 -4.088 -6.304 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.681 -3.168 -8.275 1.00 0.00 H new ATOM 772 N ILE A 55 3.021 -9.846 -4.400 1.00 0.00 N ATOM 773 CA ILE A 55 3.576 -10.415 -3.178 1.00 0.00 C ATOM 774 C ILE A 55 2.904 -9.825 -1.943 1.00 0.00 C ATOM 775 O ILE A 55 2.894 -8.609 -1.749 1.00 0.00 O ATOM 776 CB ILE A 55 5.095 -10.177 -3.085 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.813 -10.870 -4.245 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.628 -10.675 -1.751 1.00 0.00 C ATOM 779 CD1 ILE A 55 5.924 -10.013 -5.486 1.00 0.00 C ATOM 0 H ILE A 55 3.431 -8.953 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 55 3.386 -11.488 -3.215 1.00 0.00 H new ATOM 0 HB ILE A 55 5.286 -9.106 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.813 -11.158 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.281 -11.788 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.703 -10.500 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.135 -10.140 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.429 -11.743 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.444 -10.569 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.926 -9.746 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.482 -9.106 -5.253 1.00 0.00 H new ATOM 791 N VAL A 56 2.344 -10.695 -1.108 1.00 0.00 N ATOM 792 CA VAL A 56 1.672 -10.261 0.111 1.00 0.00 C ATOM 793 C VAL A 56 2.667 -9.684 1.111 1.00 0.00 C ATOM 794 O VAL A 56 3.618 -10.355 1.514 1.00 0.00 O ATOM 795 CB VAL A 56 0.908 -11.423 0.774 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.277 -10.969 2.082 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.146 -11.976 -0.172 1.00 0.00 C ATOM 0 H VAL A 56 2.343 -11.705 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 56 0.961 -9.486 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 56 1.617 -12.221 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.258 -11.803 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.056 -10.625 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.420 -10.154 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.676 -12.796 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.854 -11.188 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.335 -12.341 -1.079 1.00 0.00 H new ATOM 807 N ALA A 57 2.441 -8.437 1.509 1.00 0.00 N ATOM 808 CA ALA A 57 3.317 -7.770 2.465 1.00 0.00 C ATOM 809 C ALA A 57 2.859 -8.023 3.898 1.00 0.00 C ATOM 810 O ALA A 57 3.649 -8.432 4.748 1.00 0.00 O ATOM 811 CB ALA A 57 3.367 -6.276 2.181 1.00 0.00 C ATOM 0 H ALA A 57 1.659 -7.868 1.185 1.00 0.00 H new ATOM 0 HA ALA A 57 4.319 -8.184 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.025 -5.790 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.748 -6.110 1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.365 -5.856 2.264 1.00 0.00 H new ATOM 817 N ASN A 58 1.579 -7.776 4.158 1.00 0.00 N ATOM 818 CA ASN A 58 1.017 -7.976 5.489 1.00 0.00 C ATOM 819 C ASN A 58 0.087 -9.185 5.510 1.00 0.00 C ATOM 820 O ASN A 58 -0.852 -9.274 4.719 1.00 0.00 O ATOM 821 CB ASN A 58 0.258 -6.726 5.938 1.00 0.00 C ATOM 822 CG ASN A 58 -0.864 -6.358 4.986 1.00 0.00 C ATOM 823 OD1 ASN A 58 -0.620 -5.939 3.854 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.101 -6.513 5.442 1.00 0.00 N ATOM 0 H ASN A 58 0.912 -7.437 3.465 1.00 0.00 H new ATOM 0 HA ASN A 58 1.840 -8.161 6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.154 -6.892 6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.953 -5.890 6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.897 -6.282 4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.256 -6.864 6.387 1.00 0.00 H new ATOM 831 N LYS A 59 0.354 -10.114 6.422 1.00 0.00 N ATOM 832 CA LYS A 59 -0.459 -11.318 6.549 1.00 0.00 C ATOM 833 C LYS A 59 -1.809 -10.997 7.182 1.00 0.00 C ATOM 834 O LYS A 59 -2.850 -11.458 6.712 1.00 0.00 O ATOM 835 CB LYS A 59 0.274 -12.366 7.389 1.00 0.00 C ATOM 836 CG LYS A 59 -0.191 -13.788 7.127 1.00 0.00 C ATOM 837 CD LYS A 59 0.158 -14.711 8.283 1.00 0.00 C ATOM 838 CE LYS A 59 -0.803 -14.534 9.448 1.00 0.00 C ATOM 839 NZ LYS A 59 -2.178 -14.994 9.106 1.00 0.00 N ATOM 0 H LYS A 59 1.128 -10.056 7.084 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.632 -11.718 5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.343 -12.299 7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.134 -12.136 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.269 -13.796 6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.270 -14.160 6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.133 -15.746 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.176 -14.510 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.437 -15.093 10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.833 -13.484 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.709 -15.180 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.664 -14.257 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.122 -15.867 8.543 1.00 0.00 H new ATOM 853 N ASP A 60 -1.785 -10.205 8.248 1.00 0.00 N ATOM 854 CA ASP A 60 -3.008 -9.821 8.943 1.00 0.00 C ATOM 855 C ASP A 60 -3.423 -8.401 8.569 1.00 0.00 C ATOM 856 O ASP A 60 -2.596 -7.593 8.146 1.00 0.00 O ATOM 857 CB ASP A 60 -2.814 -9.927 10.457 1.00 0.00 C ATOM 858 CG ASP A 60 -4.130 -10.024 11.203 1.00 0.00 C ATOM 859 OD1 ASP A 60 -4.662 -11.148 11.325 1.00 0.00 O ATOM 860 OD2 ASP A 60 -4.628 -8.977 11.666 1.00 0.00 O ATOM 0 H ASP A 60 -0.932 -9.816 8.650 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.800 -10.504 8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.206 -10.803 10.682 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.262 -9.057 10.812 1.00 0.00 H new ATOM 865 N LEU A 61 -4.708 -8.105 8.728 1.00 0.00 N ATOM 866 CA LEU A 61 -5.233 -6.783 8.406 1.00 0.00 C ATOM 867 C LEU A 61 -4.341 -5.687 8.981 1.00 0.00 C ATOM 868 O LEU A 61 -3.614 -5.910 9.950 1.00 0.00 O ATOM 869 CB LEU A 61 -6.657 -6.633 8.946 1.00 0.00 C ATOM 870 CG LEU A 61 -7.669 -7.675 8.470 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.831 -7.775 9.445 1.00 0.00 C ATOM 872 CD2 LEU A 61 -8.169 -7.334 7.074 1.00 0.00 C ATOM 0 H LEU A 61 -5.405 -8.762 9.078 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.249 -6.680 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.616 -6.666 10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.026 -5.645 8.671 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.172 -8.644 8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.541 -8.522 9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.458 -8.067 10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.328 -6.808 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.889 -8.087 6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.649 -6.356 7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.328 -7.315 6.381 1.00 0.00 H new ATOM 884 N ILE A 62 -4.403 -4.504 8.379 1.00 0.00 N ATOM 885 CA ILE A 62 -3.603 -3.374 8.834 1.00 0.00 C ATOM 886 C ILE A 62 -4.459 -2.364 9.590 1.00 0.00 C ATOM 887 O ILE A 62 -5.321 -1.706 9.008 1.00 0.00 O ATOM 888 CB ILE A 62 -2.911 -2.664 7.655 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.048 -3.654 6.870 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.068 -1.502 8.159 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.676 -3.166 5.488 1.00 0.00 C ATOM 0 H ILE A 62 -4.999 -4.303 7.576 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.842 -3.775 9.504 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.677 -2.270 6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.137 -3.855 7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.583 -4.599 6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.585 -1.010 7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.707 -0.788 8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.308 -1.875 8.845 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.064 -3.918 4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.582 -2.992 4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.113 -2.236 5.570 1.00 0.00 H new ATOM 903 N ASP A 63 -4.213 -2.244 10.890 1.00 0.00 N ATOM 904 CA ASP A 63 -4.959 -1.311 11.727 1.00 0.00 C ATOM 905 C ASP A 63 -4.258 0.043 11.789 1.00 0.00 C ATOM 906 O ASP A 63 -4.298 0.728 12.811 1.00 0.00 O ATOM 907 CB ASP A 63 -5.126 -1.879 13.137 1.00 0.00 C ATOM 908 CG ASP A 63 -6.278 -1.239 13.886 1.00 0.00 C ATOM 909 OD1 ASP A 63 -7.436 -1.411 13.452 1.00 0.00 O ATOM 910 OD2 ASP A 63 -6.022 -0.565 14.906 1.00 0.00 O ATOM 0 H ASP A 63 -3.503 -2.781 11.387 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.944 -1.170 11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.290 -2.955 13.075 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.204 -1.729 13.698 1.00 0.00 H new ATOM 915 N LYS A 64 -3.616 0.422 10.690 1.00 0.00 N ATOM 916 CA LYS A 64 -2.906 1.694 10.618 1.00 0.00 C ATOM 917 C LYS A 64 -3.063 2.327 9.239 1.00 0.00 C ATOM 918 O LYS A 64 -3.215 1.628 8.237 1.00 0.00 O ATOM 919 CB LYS A 64 -1.422 1.491 10.932 1.00 0.00 C ATOM 920 CG LYS A 64 -1.170 0.841 12.282 1.00 0.00 C ATOM 921 CD LYS A 64 -1.033 1.878 13.383 1.00 0.00 C ATOM 922 CE LYS A 64 -1.483 1.327 14.727 1.00 0.00 C ATOM 923 NZ LYS A 64 -0.408 0.540 15.392 1.00 0.00 N ATOM 0 H LYS A 64 -3.572 -0.134 9.836 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.339 2.366 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.975 0.875 10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.918 2.457 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.990 0.163 12.519 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.263 0.239 12.233 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.005 2.203 13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.626 2.757 13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.784 2.150 15.375 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.360 0.696 14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.754 0.182 16.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.138 -0.261 14.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.420 1.149 15.551 1.00 0.00 H new ATOM 937 N THR A 65 -3.023 3.655 9.195 1.00 0.00 N ATOM 938 CA THR A 65 -3.160 4.383 7.939 1.00 0.00 C ATOM 939 C THR A 65 -1.837 4.428 7.183 1.00 0.00 C ATOM 940 O THR A 65 -1.703 5.142 6.190 1.00 0.00 O ATOM 941 CB THR A 65 -3.654 5.823 8.176 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.054 6.358 9.361 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.169 5.861 8.306 1.00 0.00 C ATOM 0 H THR A 65 -2.897 4.249 10.015 1.00 0.00 H new ATOM 0 HA THR A 65 -3.898 3.848 7.341 1.00 0.00 H new ATOM 0 HB THR A 65 -3.364 6.429 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.372 7.274 9.504 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.494 6.888 8.473 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.622 5.481 7.391 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.478 5.241 9.148 1.00 0.00 H new ATOM 951 N LYS A 66 -0.862 3.661 7.659 1.00 0.00 N ATOM 952 CA LYS A 66 0.451 3.612 7.027 1.00 0.00 C ATOM 953 C LYS A 66 0.998 2.188 7.021 1.00 0.00 C ATOM 954 O LYS A 66 0.474 1.308 7.704 1.00 0.00 O ATOM 955 CB LYS A 66 1.425 4.541 7.754 1.00 0.00 C ATOM 956 CG LYS A 66 1.370 5.980 7.269 1.00 0.00 C ATOM 957 CD LYS A 66 2.700 6.687 7.470 1.00 0.00 C ATOM 958 CE LYS A 66 2.807 7.287 8.863 1.00 0.00 C ATOM 959 NZ LYS A 66 2.710 6.247 9.925 1.00 0.00 N ATOM 0 H LYS A 66 -0.957 3.064 8.481 1.00 0.00 H new ATOM 0 HA LYS A 66 0.343 3.946 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.208 4.518 8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.439 4.162 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.103 5.999 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.587 6.516 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.516 5.981 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.811 7.474 6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.755 7.816 8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.016 8.023 9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.218 6.569 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.710 6.084 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.134 5.361 9.583 1.00 0.00 H new ATOM 973 N PHE A 67 2.056 1.969 6.247 1.00 0.00 N ATOM 974 CA PHE A 67 2.675 0.652 6.153 1.00 0.00 C ATOM 975 C PHE A 67 4.088 0.755 5.586 1.00 0.00 C ATOM 976 O PHE A 67 4.361 1.578 4.711 1.00 0.00 O ATOM 977 CB PHE A 67 1.827 -0.272 5.276 1.00 0.00 C ATOM 978 CG PHE A 67 2.275 -1.705 5.308 1.00 0.00 C ATOM 979 CD1 PHE A 67 1.850 -2.555 6.316 1.00 0.00 C ATOM 980 CD2 PHE A 67 3.120 -2.203 4.330 1.00 0.00 C ATOM 981 CE1 PHE A 67 2.261 -3.874 6.348 1.00 0.00 C ATOM 982 CE2 PHE A 67 3.534 -3.521 4.356 1.00 0.00 C ATOM 983 CZ PHE A 67 3.103 -4.358 5.366 1.00 0.00 C ATOM 0 H PHE A 67 2.502 2.687 5.676 1.00 0.00 H new ATOM 0 HA PHE A 67 2.735 0.233 7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.788 -0.217 5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.858 0.087 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.190 -2.183 7.086 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.460 -1.553 3.537 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.924 -4.526 7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.194 -3.896 3.587 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.424 -5.389 5.388 1.00 0.00 H new ATOM 993 N THR A 68 4.985 -0.087 6.091 1.00 0.00 N ATOM 994 CA THR A 68 6.370 -0.091 5.638 1.00 0.00 C ATOM 995 C THR A 68 6.807 -1.490 5.219 1.00 0.00 C ATOM 996 O THR A 68 6.728 -2.436 6.003 1.00 0.00 O ATOM 997 CB THR A 68 7.321 0.425 6.734 1.00 0.00 C ATOM 998 OG1 THR A 68 7.013 1.788 7.048 1.00 0.00 O ATOM 999 CG2 THR A 68 8.771 0.319 6.286 1.00 0.00 C ATOM 0 H THR A 68 4.776 -0.775 6.814 1.00 0.00 H new ATOM 0 HA THR A 68 6.423 0.576 4.778 1.00 0.00 H new ATOM 0 HB THR A 68 7.185 -0.192 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.456 2.380 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.424 0.689 7.076 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.011 -0.723 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.918 0.915 5.385 1.00 0.00 H new ATOM 1007 N ILE A 69 7.268 -1.614 3.979 1.00 0.00 N ATOM 1008 CA ILE A 69 7.720 -2.898 3.457 1.00 0.00 C ATOM 1009 C ILE A 69 9.132 -3.219 3.933 1.00 0.00 C ATOM 1010 O ILE A 69 10.041 -2.396 3.815 1.00 0.00 O ATOM 1011 CB ILE A 69 7.691 -2.922 1.918 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.307 -2.517 1.405 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.070 -4.302 1.402 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.329 -1.911 0.019 1.00 0.00 C ATOM 0 H ILE A 69 7.338 -0.841 3.317 1.00 0.00 H new ATOM 0 HA ILE A 69 7.031 -3.653 3.837 1.00 0.00 H new ATOM 0 HB ILE A 69 8.421 -2.203 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.660 -3.394 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.867 -1.801 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.045 -4.303 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.074 -4.554 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.363 -5.039 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.314 -1.648 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.949 -1.015 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.739 -2.633 -0.687 1.00 0.00 H new ATOM 1026 N THR A 70 9.311 -4.422 4.471 1.00 0.00 N ATOM 1027 CA THR A 70 10.613 -4.852 4.964 1.00 0.00 C ATOM 1028 C THR A 70 11.239 -5.886 4.035 1.00 0.00 C ATOM 1029 O THR A 70 10.575 -6.824 3.597 1.00 0.00 O ATOM 1030 CB THR A 70 10.508 -5.449 6.380 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.647 -6.593 6.367 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.975 -4.418 7.363 1.00 0.00 C ATOM 0 H THR A 70 8.570 -5.115 4.576 1.00 0.00 H new ATOM 0 HA THR A 70 11.247 -3.966 4.997 1.00 0.00 H new ATOM 0 HB THR A 70 11.506 -5.750 6.699 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.587 -6.968 7.271 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.909 -4.862 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.648 -3.561 7.392 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.985 -4.091 7.046 1.00 0.00 H new ATOM 1040 N GLY A 71 12.523 -5.708 3.737 1.00 0.00 N ATOM 1041 CA GLY A 71 13.217 -6.634 2.861 1.00 0.00 C ATOM 1042 C GLY A 71 13.153 -6.214 1.406 1.00 0.00 C ATOM 1043 O GLY A 71 12.594 -6.925 0.571 1.00 0.00 O ATOM 0 H GLY A 71 13.095 -4.939 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.260 -6.708 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.781 -7.627 2.969 1.00 0.00 H new ATOM 1047 N LEU A 72 13.726 -5.054 1.101 1.00 0.00 N ATOM 1048 CA LEU A 72 13.731 -4.539 -0.263 1.00 0.00 C ATOM 1049 C LEU A 72 15.146 -4.176 -0.703 1.00 0.00 C ATOM 1050 O LEU A 72 15.885 -3.492 0.004 1.00 0.00 O ATOM 1051 CB LEU A 72 12.821 -3.314 -0.370 1.00 0.00 C ATOM 1052 CG LEU A 72 11.321 -3.598 -0.458 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.538 -2.299 -0.565 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.018 -4.504 -1.643 1.00 0.00 C ATOM 0 H LEU A 72 14.193 -4.453 1.780 1.00 0.00 H new ATOM 0 HA LEU A 72 13.355 -5.322 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.000 -2.677 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.115 -2.744 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 72 11.014 -4.110 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.473 -2.520 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.731 -1.685 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.849 -1.759 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.946 -4.695 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.341 -4.018 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.550 -5.448 -1.525 1.00 0.00 H new ATOM 1066 N PRO A 73 15.532 -4.642 -1.900 1.00 0.00 N ATOM 1067 CA PRO A 73 16.859 -4.376 -2.463 1.00 0.00 C ATOM 1068 C PRO A 73 17.037 -2.916 -2.864 1.00 0.00 C ATOM 1069 O PRO A 73 16.062 -2.209 -3.124 1.00 0.00 O ATOM 1070 CB PRO A 73 16.909 -5.280 -3.697 1.00 0.00 C ATOM 1071 CG PRO A 73 15.483 -5.474 -4.082 1.00 0.00 C ATOM 1072 CD PRO A 73 14.702 -5.464 -2.797 1.00 0.00 C ATOM 0 HA PRO A 73 17.654 -4.571 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.478 -4.818 -4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.391 -6.231 -3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.147 -4.680 -4.749 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.347 -6.416 -4.614 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.710 -5.034 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.562 -6.471 -2.404 1.00 0.00 H new ATOM 1080 N THR A 74 18.288 -2.469 -2.914 1.00 0.00 N ATOM 1081 CA THR A 74 18.593 -1.093 -3.284 1.00 0.00 C ATOM 1082 C THR A 74 18.536 -0.903 -4.795 1.00 0.00 C ATOM 1083 O THR A 74 18.961 -1.773 -5.556 1.00 0.00 O ATOM 1084 CB THR A 74 19.985 -0.671 -2.778 1.00 0.00 C ATOM 1085 OG1 THR A 74 20.064 -0.845 -1.359 1.00 0.00 O ATOM 1086 CG2 THR A 74 20.274 0.780 -3.133 1.00 0.00 C ATOM 0 H THR A 74 19.106 -3.040 -2.703 1.00 0.00 H new ATOM 0 HA THR A 74 17.837 -0.465 -2.813 1.00 0.00 H new ATOM 0 HB THR A 74 20.730 -1.302 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.953 -0.576 -1.045 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.263 1.055 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.243 0.903 -4.216 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.524 1.423 -2.673 1.00 0.00 H new ATOM 1094 N ASP A 75 18.007 0.238 -5.224 1.00 0.00 N ATOM 1095 CA ASP A 75 17.896 0.541 -6.646 1.00 0.00 C ATOM 1096 C ASP A 75 16.934 -0.422 -7.334 1.00 0.00 C ATOM 1097 O ASP A 75 17.250 -0.989 -8.380 1.00 0.00 O ATOM 1098 CB ASP A 75 19.271 0.473 -7.313 1.00 0.00 C ATOM 1099 CG ASP A 75 19.304 1.194 -8.646 1.00 0.00 C ATOM 1100 OD1 ASP A 75 18.861 0.602 -9.653 1.00 0.00 O ATOM 1101 OD2 ASP A 75 19.771 2.352 -8.683 1.00 0.00 O ATOM 0 H ASP A 75 17.649 0.968 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 75 17.502 1.552 -6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 75 20.016 0.910 -6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.549 -0.571 -7.461 1.00 0.00 H new ATOM 1106 N ALA A 76 15.760 -0.604 -6.739 1.00 0.00 N ATOM 1107 CA ALA A 76 14.752 -1.498 -7.295 1.00 0.00 C ATOM 1108 C ALA A 76 13.381 -0.830 -7.324 1.00 0.00 C ATOM 1109 O ALA A 76 13.034 -0.063 -6.426 1.00 0.00 O ATOM 1110 CB ALA A 76 14.695 -2.791 -6.495 1.00 0.00 C ATOM 0 H ALA A 76 15.483 -0.144 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 76 15.035 -1.731 -8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.938 -3.449 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.666 -3.284 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.440 -2.567 -5.459 1.00 0.00 H new ATOM 1116 N LYS A 77 12.606 -1.126 -8.361 1.00 0.00 N ATOM 1117 CA LYS A 77 11.272 -0.555 -8.508 1.00 0.00 C ATOM 1118 C LYS A 77 10.201 -1.566 -8.112 1.00 0.00 C ATOM 1119 O LYS A 77 10.269 -2.736 -8.490 1.00 0.00 O ATOM 1120 CB LYS A 77 11.047 -0.096 -9.950 1.00 0.00 C ATOM 1121 CG LYS A 77 12.031 0.966 -10.411 1.00 0.00 C ATOM 1122 CD LYS A 77 11.590 1.605 -11.717 1.00 0.00 C ATOM 1123 CE LYS A 77 10.679 2.798 -11.474 1.00 0.00 C ATOM 1124 NZ LYS A 77 9.852 3.117 -12.671 1.00 0.00 N ATOM 0 H LYS A 77 12.879 -1.759 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 77 11.197 0.306 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.119 -0.959 -10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.034 0.294 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.126 1.734 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.017 0.519 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.466 1.924 -12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.070 0.867 -12.327 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.026 2.590 -10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.281 3.666 -11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.245 3.936 -12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.475 3.341 -13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.258 2.298 -12.911 1.00 0.00 H new ATOM 1138 N ILE A 78 9.213 -1.108 -7.351 1.00 0.00 N ATOM 1139 CA ILE A 78 8.127 -1.972 -6.907 1.00 0.00 C ATOM 1140 C ILE A 78 6.790 -1.239 -6.945 1.00 0.00 C ATOM 1141 O ILE A 78 6.739 -0.013 -6.844 1.00 0.00 O ATOM 1142 CB ILE A 78 8.372 -2.497 -5.480 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.400 -1.335 -4.484 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.673 -3.283 -5.421 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.026 -0.906 -4.018 1.00 0.00 C ATOM 0 H ILE A 78 9.142 -0.143 -7.029 1.00 0.00 H new ATOM 0 HA ILE A 78 8.095 -2.817 -7.595 1.00 0.00 H new ATOM 0 HB ILE A 78 7.554 -3.165 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.995 -1.624 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.901 -0.484 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.832 -3.647 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.618 -4.129 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.502 -2.636 -5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.122 -0.079 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.434 -0.586 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.530 -1.744 -3.528 1.00 0.00 H new ATOM 1157 N PHE A 79 5.709 -1.999 -7.089 1.00 0.00 N ATOM 1158 CA PHE A 79 4.371 -1.421 -7.139 1.00 0.00 C ATOM 1159 C PHE A 79 3.685 -1.519 -5.779 1.00 0.00 C ATOM 1160 O PHE A 79 4.088 -2.307 -4.923 1.00 0.00 O ATOM 1161 CB PHE A 79 3.527 -2.129 -8.200 1.00 0.00 C ATOM 1162 CG PHE A 79 4.078 -1.997 -9.591 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.146 -0.759 -10.209 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.528 -3.111 -10.281 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.653 -0.634 -11.488 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.037 -2.992 -11.560 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.099 -1.752 -12.165 1.00 0.00 C ATOM 0 H PHE A 79 5.733 -3.015 -7.173 1.00 0.00 H new ATOM 0 HA PHE A 79 4.467 -0.368 -7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.452 -3.186 -7.947 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.516 -1.723 -8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.799 0.119 -9.685 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.480 -4.084 -9.814 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.701 0.337 -11.958 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.386 -3.868 -12.086 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.495 -1.657 -13.165 1.00 0.00 H new ATOM 1177 N VAL A 80 2.646 -0.712 -5.587 1.00 0.00 N ATOM 1178 CA VAL A 80 1.904 -0.707 -4.333 1.00 0.00 C ATOM 1179 C VAL A 80 0.407 -0.551 -4.580 1.00 0.00 C ATOM 1180 O VAL A 80 -0.043 0.472 -5.097 1.00 0.00 O ATOM 1181 CB VAL A 80 2.380 0.424 -3.403 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.461 0.547 -2.197 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.817 0.185 -2.966 1.00 0.00 C ATOM 0 H VAL A 80 2.300 -0.053 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 80 2.092 -1.667 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 80 2.343 1.363 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.814 1.351 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.448 0.769 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.462 -0.391 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.137 0.994 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.882 -0.763 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.463 0.153 -3.843 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.358 -1.571 -4.208 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.805 -1.548 -4.391 1.00 0.00 C ATOM 1195 C ARG A 81 -2.524 -1.727 -3.057 1.00 0.00 C ATOM 1196 O ARG A 81 -2.279 -2.691 -2.332 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.235 -2.645 -5.366 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.537 -2.570 -6.714 1.00 0.00 C ATOM 1199 CD ARG A 81 -1.966 -1.338 -7.495 1.00 0.00 C ATOM 1200 NE ARG A 81 -1.129 -0.180 -7.194 1.00 0.00 N ATOM 1201 CZ ARG A 81 0.029 0.067 -7.797 1.00 0.00 C ATOM 1202 NH1 ARG A 81 0.483 -0.758 -8.730 1.00 0.00 N ATOM 1203 NH2 ARG A 81 0.733 1.142 -7.468 1.00 0.00 N ATOM 0 H ARG A 81 -0.001 -2.424 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.079 -0.577 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.035 -3.618 -4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.312 -2.581 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.457 -2.550 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.763 -3.466 -7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.919 -1.551 -8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.005 -1.105 -7.262 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.451 0.475 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.057 -1.585 -8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.372 -0.566 -9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.386 1.780 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.622 1.331 -7.931 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.413 -0.791 -2.740 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.168 -0.845 -1.494 1.00 0.00 C ATOM 1219 C VAL A 82 -5.666 -0.934 -1.763 1.00 0.00 C ATOM 1220 O VAL A 82 -6.218 -0.149 -2.534 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.889 0.388 -0.614 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.415 0.457 -0.244 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.329 1.660 -1.324 1.00 0.00 C ATOM 0 H VAL A 82 -3.628 0.014 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.842 -1.741 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.466 0.295 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.237 1.334 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.136 -0.441 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.815 0.527 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.124 2.521 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.781 1.762 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.398 1.609 -1.533 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.320 -1.897 -1.122 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.756 -2.090 -1.290 1.00 0.00 C ATOM 1235 C LYS A 83 -8.440 -2.286 0.060 1.00 0.00 C ATOM 1236 O LYS A 83 -7.782 -2.543 1.068 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.027 -3.297 -2.191 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.177 -4.510 -1.855 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.492 -5.682 -2.769 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.200 -7.012 -2.092 1.00 0.00 C ATOM 1241 NZ LYS A 83 -7.736 -8.162 -2.872 1.00 0.00 N ATOM 0 H LYS A 83 -5.878 -2.556 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.166 -1.195 -1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.080 -3.569 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.847 -3.013 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.122 -4.252 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.348 -4.800 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.541 -5.644 -3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.903 -5.601 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.123 -7.128 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.638 -7.015 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.516 -9.050 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.767 -8.066 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.300 -8.175 -3.816 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.763 -2.164 0.070 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.535 -2.331 1.295 1.00 0.00 C ATOM 1257 C ALA A 84 -11.202 -3.701 1.341 1.00 0.00 C ATOM 1258 O ALA A 84 -11.946 -4.072 0.433 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.579 -1.230 1.415 1.00 0.00 C ATOM 0 H ALA A 84 -10.322 -1.950 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.849 -2.261 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.148 -1.367 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.083 -0.259 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.254 -1.274 0.560 1.00 0.00 H new ATOM 1265 N VAL A 85 -10.930 -4.451 2.405 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.504 -5.781 2.569 1.00 0.00 C ATOM 1267 C VAL A 85 -12.394 -5.847 3.805 1.00 0.00 C ATOM 1268 O VAL A 85 -11.946 -5.582 4.920 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.406 -6.856 2.684 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.025 -8.240 2.812 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.470 -6.790 1.486 1.00 0.00 C ATOM 0 H VAL A 85 -10.316 -4.160 3.166 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.104 -5.978 1.681 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.823 -6.661 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.234 -8.986 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.651 -8.278 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.634 -8.449 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.700 -7.556 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.038 -6.960 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.001 -5.807 1.445 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.658 -6.202 3.599 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.613 -6.302 4.697 1.00 0.00 C ATOM 1283 C ASN A 86 -15.632 -7.407 4.433 1.00 0.00 C ATOM 1284 O ASN A 86 -15.583 -8.076 3.401 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.333 -4.967 4.898 1.00 0.00 C ATOM 1286 CG ASN A 86 -14.461 -3.780 4.535 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -13.838 -3.165 5.400 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.414 -3.453 3.249 1.00 0.00 N ATOM 0 H ASN A 86 -14.045 -6.425 2.682 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.061 -6.550 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.237 -4.950 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.647 -4.879 5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.845 -2.664 2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.947 -3.991 2.566 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.553 -7.591 5.372 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.585 -8.612 5.240 1.00 0.00 C ATOM 1297 C ALA A 87 -18.152 -8.640 3.824 1.00 0.00 C ATOM 1298 O ALA A 87 -18.118 -9.671 3.153 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.697 -8.372 6.251 1.00 0.00 C ATOM 0 H ALA A 87 -16.606 -7.046 6.233 1.00 0.00 H new ATOM 0 HA ALA A 87 -17.130 -9.582 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.461 -9.142 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -18.286 -8.410 7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.142 -7.392 6.077 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.672 -7.502 3.377 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.244 -7.397 2.041 1.00 0.00 C ATOM 1307 C ALA A 88 -18.360 -8.089 1.009 1.00 0.00 C ATOM 1308 O ALA A 88 -18.832 -8.910 0.224 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.449 -5.936 1.668 1.00 0.00 C ATOM 0 H ALA A 88 -18.709 -6.640 3.921 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.212 -7.899 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.877 -5.872 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.127 -5.470 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.490 -5.418 1.686 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.074 -7.751 1.016 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.145 -8.349 0.075 1.00 0.00 C ATOM 1317 C GLY A 89 -14.855 -7.561 -0.047 1.00 0.00 C ATOM 1318 O GLY A 89 -14.186 -7.295 0.951 1.00 0.00 O ATOM 0 H GLY A 89 -16.659 -7.074 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.917 -9.367 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.619 -8.418 -0.904 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.506 -7.187 -1.273 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.289 -6.424 -1.522 1.00 0.00 C ATOM 1324 C ALA A 90 -13.509 -5.376 -2.607 1.00 0.00 C ATOM 1325 O ALA A 90 -14.343 -5.554 -3.495 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.152 -7.357 -1.911 1.00 0.00 C ATOM 0 H ALA A 90 -15.049 -7.400 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.021 -5.905 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.249 -6.774 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.969 -8.065 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.422 -7.902 -2.816 1.00 0.00 H new ATOM 1332 N SER A 91 -12.758 -4.282 -2.528 1.00 0.00 N ATOM 1333 CA SER A 91 -12.875 -3.203 -3.501 1.00 0.00 C ATOM 1334 C SER A 91 -11.748 -3.272 -4.527 1.00 0.00 C ATOM 1335 O SER A 91 -10.677 -3.812 -4.253 1.00 0.00 O ATOM 1336 CB SER A 91 -12.854 -1.846 -2.795 1.00 0.00 C ATOM 1337 OG SER A 91 -14.089 -1.588 -2.149 1.00 0.00 O ATOM 0 H SER A 91 -12.062 -4.120 -1.800 1.00 0.00 H new ATOM 0 HA SER A 91 -13.825 -3.319 -4.022 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.046 -1.826 -2.064 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.648 -1.059 -3.520 1.00 0.00 H new ATOM 0 HG SER A 91 -14.049 -0.716 -1.704 1.00 0.00 H new ATOM 1343 N GLU A 92 -11.998 -2.720 -5.711 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.005 -2.719 -6.778 1.00 0.00 C ATOM 1345 C GLU A 92 -9.671 -2.172 -6.280 1.00 0.00 C ATOM 1346 O GLU A 92 -9.614 -1.311 -5.402 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.499 -1.888 -7.964 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.481 -0.391 -7.708 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.611 0.421 -8.982 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.568 0.732 -9.596 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.754 0.745 -9.366 1.00 0.00 O ATOM 0 H GLU A 92 -12.879 -2.268 -5.955 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.857 -3.749 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.879 -2.107 -8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.515 -2.193 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.296 -0.132 -7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.552 -0.124 -7.204 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.571 -2.682 -6.854 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.217 -2.260 -6.484 1.00 0.00 C ATOM 1360 C PRO A 93 -6.911 -0.836 -6.936 1.00 0.00 C ATOM 1361 O PRO A 93 -7.193 -0.460 -8.074 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.321 -3.259 -7.220 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.137 -3.719 -8.378 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.565 -3.711 -7.907 1.00 0.00 C ATOM 0 HA PRO A 93 -7.073 -2.253 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.394 -2.790 -7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.044 -4.093 -6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.005 -3.059 -9.235 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.836 -4.717 -8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.253 -3.463 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.866 -4.684 -7.519 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.330 -0.047 -6.038 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.983 1.335 -6.344 1.00 0.00 C ATOM 1374 C LYS A 94 -4.567 1.430 -6.904 1.00 0.00 C ATOM 1375 O LYS A 94 -3.589 1.245 -6.179 1.00 0.00 O ATOM 1376 CB LYS A 94 -6.105 2.203 -5.090 1.00 0.00 C ATOM 1377 CG LYS A 94 -6.373 3.668 -5.387 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.105 4.393 -5.807 1.00 0.00 C ATOM 1379 CE LYS A 94 -5.226 5.895 -5.601 1.00 0.00 C ATOM 1380 NZ LYS A 94 -4.037 6.624 -6.123 1.00 0.00 N ATOM 0 H LYS A 94 -6.090 -0.342 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.679 1.699 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.910 1.814 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.185 2.121 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.119 3.749 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.792 4.149 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.260 4.013 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.896 4.184 -6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.124 6.259 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.345 6.107 -4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.032 7.594 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.170 6.132 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.078 6.656 -7.162 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.465 1.719 -8.197 1.00 0.00 N ATOM 1395 CA TYR A 95 -3.169 1.837 -8.854 1.00 0.00 C ATOM 1396 C TYR A 95 -2.564 3.218 -8.621 1.00 0.00 C ATOM 1397 O TYR A 95 -3.003 4.207 -9.209 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.309 1.574 -10.354 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.544 0.120 -10.695 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -2.481 -0.767 -10.815 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -4.830 -0.366 -10.899 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -2.692 -2.096 -11.127 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -5.049 -1.694 -11.210 1.00 0.00 C ATOM 1404 CZ TYR A 95 -3.978 -2.555 -11.323 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.192 -3.878 -11.635 1.00 0.00 O ATOM 0 H TYR A 95 -5.265 1.876 -8.811 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.501 1.091 -8.422 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.136 2.168 -10.743 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.406 1.916 -10.860 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.473 -0.411 -10.662 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.672 0.305 -10.813 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -1.855 -2.772 -11.217 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.055 -2.056 -11.364 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.153 -4.038 -11.739 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.554 3.277 -7.761 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.889 4.536 -7.449 1.00 0.00 C ATOM 1417 C TYR A 96 -0.459 5.256 -8.723 1.00 0.00 C ATOM 1418 O TYR A 96 -0.202 4.626 -9.749 1.00 0.00 O ATOM 1419 CB TYR A 96 0.328 4.286 -6.556 1.00 0.00 C ATOM 1420 CG TYR A 96 1.007 5.554 -6.090 1.00 0.00 C ATOM 1421 CD1 TYR A 96 0.266 6.683 -5.764 1.00 0.00 C ATOM 1422 CD2 TYR A 96 2.390 5.624 -5.976 1.00 0.00 C ATOM 1423 CE1 TYR A 96 0.882 7.844 -5.338 1.00 0.00 C ATOM 1424 CE2 TYR A 96 3.015 6.780 -5.549 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.256 7.887 -5.232 1.00 0.00 C ATOM 1426 OH TYR A 96 2.875 9.041 -4.808 1.00 0.00 O ATOM 0 H TYR A 96 -1.178 2.468 -7.267 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.598 5.170 -6.917 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.017 3.709 -5.685 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.049 3.677 -7.101 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.811 6.653 -5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.987 4.759 -6.226 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.291 8.713 -5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.091 6.816 -5.464 1.00 0.00 H new ATOM 0 HH TYR A 96 3.845 8.903 -4.788 1.00 0.00 H new ATOM 1436 N SER A 97 -0.384 6.581 -8.650 1.00 0.00 N ATOM 1437 CA SER A 97 0.011 7.390 -9.797 1.00 0.00 C ATOM 1438 C SER A 97 1.333 6.898 -10.379 1.00 0.00 C ATOM 1439 O SER A 97 1.372 6.341 -11.475 1.00 0.00 O ATOM 1440 CB SER A 97 0.134 8.860 -9.394 1.00 0.00 C ATOM 1441 OG SER A 97 -1.142 9.470 -9.295 1.00 0.00 O ATOM 0 H SER A 97 -0.592 7.117 -7.808 1.00 0.00 H new ATOM 0 HA SER A 97 -0.761 7.294 -10.561 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.652 8.936 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.739 9.392 -10.128 1.00 0.00 H new ATOM 0 HG SER A 97 -1.036 10.409 -9.034 1.00 0.00 H new ATOM 1447 N GLN A 98 2.414 7.109 -9.635 1.00 0.00 N ATOM 1448 CA GLN A 98 3.739 6.689 -10.076 1.00 0.00 C ATOM 1449 C GLN A 98 4.327 5.653 -9.124 1.00 0.00 C ATOM 1450 O GLN A 98 4.021 5.626 -7.932 1.00 0.00 O ATOM 1451 CB GLN A 98 4.673 7.896 -10.176 1.00 0.00 C ATOM 1452 CG GLN A 98 4.293 8.871 -11.278 1.00 0.00 C ATOM 1453 CD GLN A 98 4.841 8.465 -12.632 1.00 0.00 C ATOM 1454 OE1 GLN A 98 4.089 8.095 -13.534 1.00 0.00 O ATOM 1455 NE2 GLN A 98 6.159 8.531 -12.781 1.00 0.00 N ATOM 0 H GLN A 98 2.398 7.568 -8.724 1.00 0.00 H new ATOM 0 HA GLN A 98 3.639 6.234 -11.061 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.676 8.423 -9.222 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.690 7.544 -10.349 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.207 8.942 -11.336 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.664 9.864 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.745 8.843 -12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.585 8.269 -13.670 1.00 0.00 H new ATOM 1464 N PRO A 99 5.190 4.778 -9.660 1.00 0.00 N ATOM 1465 CA PRO A 99 5.839 3.723 -8.875 1.00 0.00 C ATOM 1466 C PRO A 99 6.862 4.279 -7.891 1.00 0.00 C ATOM 1467 O PRO A 99 7.313 5.417 -8.028 1.00 0.00 O ATOM 1468 CB PRO A 99 6.530 2.865 -9.938 1.00 0.00 C ATOM 1469 CG PRO A 99 6.756 3.789 -11.084 1.00 0.00 C ATOM 1470 CD PRO A 99 5.600 4.751 -11.075 1.00 0.00 C ATOM 0 HA PRO A 99 5.125 3.173 -8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.470 2.457 -9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.908 2.019 -10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.704 4.317 -10.978 1.00 0.00 H new ATOM 0 HG3 PRO A 99 6.800 3.240 -12.025 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.897 5.739 -11.426 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.790 4.413 -11.722 1.00 0.00 H new ATOM 1478 N ILE A 100 7.225 3.471 -6.902 1.00 0.00 N ATOM 1479 CA ILE A 100 8.197 3.883 -5.896 1.00 0.00 C ATOM 1480 C ILE A 100 9.569 3.281 -6.179 1.00 0.00 C ATOM 1481 O ILE A 100 9.676 2.173 -6.708 1.00 0.00 O ATOM 1482 CB ILE A 100 7.750 3.472 -4.480 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.329 3.968 -4.207 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.717 4.019 -3.441 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.561 3.097 -3.237 1.00 0.00 C ATOM 0 H ILE A 100 6.861 2.527 -6.775 1.00 0.00 H new ATOM 0 HA ILE A 100 8.262 4.970 -5.946 1.00 0.00 H new ATOM 0 HB ILE A 100 7.754 2.384 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.377 4.983 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.783 4.018 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.388 3.721 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.715 3.622 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.742 5.107 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.562 3.509 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.482 2.087 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.085 3.067 -2.282 1.00 0.00 H new ATOM 1497 N LEU A 101 10.616 4.016 -5.822 1.00 0.00 N ATOM 1498 CA LEU A 101 11.983 3.554 -6.035 1.00 0.00 C ATOM 1499 C LEU A 101 12.749 3.494 -4.717 1.00 0.00 C ATOM 1500 O LEU A 101 13.236 4.511 -4.223 1.00 0.00 O ATOM 1501 CB LEU A 101 12.707 4.477 -7.017 1.00 0.00 C ATOM 1502 CG LEU A 101 14.163 4.123 -7.322 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.237 2.905 -8.230 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.878 5.307 -7.956 1.00 0.00 C ATOM 0 H LEU A 101 10.545 4.934 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 101 11.939 2.549 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.152 4.484 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.676 5.492 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 101 14.663 3.882 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.281 2.668 -8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.762 2.056 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.721 3.117 -9.166 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.913 5.037 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.378 5.579 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.856 6.155 -7.271 1.00 0.00 H new ATOM 1516 N VAL A 102 12.855 2.295 -4.154 1.00 0.00 N ATOM 1517 CA VAL A 102 13.565 2.101 -2.895 1.00 0.00 C ATOM 1518 C VAL A 102 14.937 2.763 -2.931 1.00 0.00 C ATOM 1519 O VAL A 102 15.935 2.132 -3.282 1.00 0.00 O ATOM 1520 CB VAL A 102 13.737 0.605 -2.572 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.482 -0.101 -3.694 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.460 0.426 -1.246 1.00 0.00 C ATOM 0 H VAL A 102 12.458 1.443 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 102 12.961 2.566 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 102 12.749 0.154 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.594 -1.157 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.920 -0.002 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.467 0.350 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.573 -0.637 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.444 0.891 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.882 0.896 -0.450 1.00 0.00 H new ATOM 1532 N LYS A 103 14.982 4.040 -2.565 1.00 0.00 N ATOM 1533 CA LYS A 103 16.232 4.789 -2.553 1.00 0.00 C ATOM 1534 C LYS A 103 16.263 5.778 -1.392 1.00 0.00 C ATOM 1535 O LYS A 103 15.228 6.311 -0.992 1.00 0.00 O ATOM 1536 CB LYS A 103 16.417 5.535 -3.877 1.00 0.00 C ATOM 1537 CG LYS A 103 17.843 5.998 -4.120 1.00 0.00 C ATOM 1538 CD LYS A 103 18.758 4.832 -4.455 1.00 0.00 C ATOM 1539 CE LYS A 103 20.202 5.283 -4.608 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.382 6.180 -5.782 1.00 0.00 N ATOM 0 H LYS A 103 14.166 4.578 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 103 17.050 4.080 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.110 4.885 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.755 6.401 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.858 6.720 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.216 6.511 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.692 4.079 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.424 4.359 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.518 5.802 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.845 4.410 -4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.395 6.370 -5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.995 5.722 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 19.882 7.076 -5.614 1.00 0.00 H new ATOM 1554 N GLU A 104 17.455 6.019 -0.856 1.00 0.00 N ATOM 1555 CA GLU A 104 17.619 6.945 0.259 1.00 0.00 C ATOM 1556 C GLU A 104 17.652 8.389 -0.234 1.00 0.00 C ATOM 1557 O GLU A 104 17.916 8.650 -1.408 1.00 0.00 O ATOM 1558 CB GLU A 104 18.901 6.627 1.030 1.00 0.00 C ATOM 1559 CG GLU A 104 19.304 7.713 2.014 1.00 0.00 C ATOM 1560 CD GLU A 104 20.423 7.276 2.939 1.00 0.00 C ATOM 1561 OE1 GLU A 104 21.600 7.373 2.532 1.00 0.00 O ATOM 1562 OE2 GLU A 104 20.123 6.838 4.069 1.00 0.00 O ATOM 0 H GLU A 104 18.322 5.586 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 104 16.765 6.827 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.767 5.690 1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.713 6.472 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.619 8.599 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.437 7.999 2.609 1.00 0.00 H new ATOM 1569 N SER A 105 17.383 9.323 0.672 1.00 0.00 N ATOM 1570 CA SER A 105 17.378 10.741 0.330 1.00 0.00 C ATOM 1571 C SER A 105 18.609 11.441 0.898 1.00 0.00 C ATOM 1572 O SER A 105 18.501 12.292 1.779 1.00 0.00 O ATOM 1573 CB SER A 105 16.108 11.410 0.858 1.00 0.00 C ATOM 1574 OG SER A 105 15.011 11.180 -0.010 1.00 0.00 O ATOM 0 H SER A 105 17.166 9.124 1.648 1.00 0.00 H new ATOM 0 HA SER A 105 17.401 10.828 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.877 11.025 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 105 16.275 12.482 0.962 1.00 0.00 H new ATOM 0 HG SER A 105 14.211 11.616 0.351 1.00 0.00 H new ATOM 1580 N GLY A 106 19.780 11.075 0.385 1.00 0.00 N ATOM 1581 CA GLY A 106 21.015 11.676 0.852 1.00 0.00 C ATOM 1582 C GLY A 106 22.241 10.909 0.399 1.00 0.00 C ATOM 1583 O GLY A 106 22.883 10.205 1.179 1.00 0.00 O ATOM 0 H GLY A 106 19.895 10.373 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 106 21.077 12.701 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 106 21.003 11.725 1.941 1.00 0.00 H new ATOM 1587 N PRO A 107 22.582 11.040 -0.892 1.00 0.00 N ATOM 1588 CA PRO A 107 23.741 10.359 -1.478 1.00 0.00 C ATOM 1589 C PRO A 107 25.063 10.925 -0.970 1.00 0.00 C ATOM 1590 O PRO A 107 26.131 10.388 -1.261 1.00 0.00 O ATOM 1591 CB PRO A 107 23.587 10.623 -2.977 1.00 0.00 C ATOM 1592 CG PRO A 107 22.792 11.880 -3.061 1.00 0.00 C ATOM 1593 CD PRO A 107 21.862 11.862 -1.879 1.00 0.00 C ATOM 0 HA PRO A 107 23.766 9.301 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 107 24.557 10.735 -3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 107 23.077 9.798 -3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 107 23.441 12.755 -3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 107 22.234 11.927 -3.996 1.00 0.00 H new ATOM 0 HD2 PRO A 107 21.671 12.867 -1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 107 20.895 11.428 -2.135 1.00 0.00 H new ATOM 1601 N SER A 108 24.983 12.012 -0.209 1.00 0.00 N ATOM 1602 CA SER A 108 26.173 12.652 0.337 1.00 0.00 C ATOM 1603 C SER A 108 26.870 11.739 1.341 1.00 0.00 C ATOM 1604 O SER A 108 26.335 11.453 2.412 1.00 0.00 O ATOM 1605 CB SER A 108 25.804 13.978 1.007 1.00 0.00 C ATOM 1606 OG SER A 108 26.919 14.852 1.056 1.00 0.00 O ATOM 0 H SER A 108 24.106 12.468 0.043 1.00 0.00 H new ATOM 0 HA SER A 108 26.859 12.848 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 108 24.990 14.452 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 108 25.441 13.790 2.017 1.00 0.00 H new ATOM 0 HG SER A 108 26.657 15.692 1.487 1.00 0.00 H new ATOM 1612 N SER A 109 28.067 11.284 0.986 1.00 0.00 N ATOM 1613 CA SER A 109 28.837 10.400 1.854 1.00 0.00 C ATOM 1614 C SER A 109 30.247 10.941 2.068 1.00 0.00 C ATOM 1615 O SER A 109 30.791 11.643 1.216 1.00 0.00 O ATOM 1616 CB SER A 109 28.904 8.994 1.254 1.00 0.00 C ATOM 1617 OG SER A 109 29.422 8.064 2.189 1.00 0.00 O ATOM 0 H SER A 109 28.525 11.513 0.104 1.00 0.00 H new ATOM 0 HA SER A 109 28.335 10.352 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.908 8.682 0.940 1.00 0.00 H new ATOM 0 HB3 SER A 109 29.531 9.005 0.362 1.00 0.00 H new ATOM 0 HG SER A 109 29.453 7.173 1.782 1.00 0.00 H new ATOM 1623 N GLY A 110 30.834 10.609 3.214 1.00 0.00 N ATOM 1624 CA GLY A 110 32.175 11.070 3.521 1.00 0.00 C ATOM 1625 C GLY A 110 32.586 10.752 4.945 1.00 0.00 C ATOM 1626 O GLY A 110 33.603 10.097 5.173 1.00 0.00 O ATOM 0 H GLY A 110 30.405 10.029 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 110 32.881 10.609 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 110 32.231 12.147 3.362 1.00 0.00 H new TER 1630 GLY A 110