USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 679 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 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -148:sc= -0.243 (180deg=-1.82!) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= -4.19! (180deg=-4.24!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.329 F(o=-1.6,f=-0.33) USER MOD Single : A 23 THR OG1 : rot 148:sc= -0.836 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 41 MET CE :methyl 149:sc= -0.509 (180deg=-1.85!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 45 GLN : amide:sc= -0.734 K(o=-0.73,f=-1.9) USER MOD Single : A 49 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-2.4!) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= -2.79! (180deg=-3.02!) USER MOD Single : A 58 ASN : amide:sc= -5.22 K(o=-5.2,f=-9.2!) USER MOD Single : A 60 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.19) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -1.27 F(o=-2.4!,f=-1.3) USER MOD Single : A 75 ASN : amide:sc= -0.0597 K(o=-0.06,f=-0.87) USER MOD Single : A 77 SER OG : rot -140:sc= -0.83 USER MOD Single : A 79 SER OG : rot 19:sc= 0.774! USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= -0.0187 (180deg=-0.0768) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 20:sc= 0.0864 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.908 -13.976 -20.033 1.00 0.00 N ATOM 2 CA GLY A 1 -8.549 -13.429 -21.329 1.00 0.00 C ATOM 3 C GLY A 1 -7.147 -13.818 -21.754 1.00 0.00 C ATOM 4 O GLY A 1 -6.969 -14.647 -22.647 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.875 -13.682 -19.788 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.861 -15.014 -20.069 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.246 -13.624 -19.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.262 -13.777 -22.077 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.627 -12.342 -21.296 1.00 0.00 H new ATOM 8 N SER A 2 -6.148 -13.218 -21.115 1.00 0.00 N ATOM 9 CA SER A 2 -4.754 -13.502 -21.436 1.00 0.00 C ATOM 10 C SER A 2 -3.889 -13.465 -20.179 1.00 0.00 C ATOM 11 O SER A 2 -4.346 -13.063 -19.109 1.00 0.00 O ATOM 12 CB SER A 2 -4.229 -12.495 -22.460 1.00 0.00 C ATOM 13 OG SER A 2 -3.080 -12.993 -23.123 1.00 0.00 O ATOM 0 H SER A 2 -6.278 -12.532 -20.372 1.00 0.00 H new ATOM 0 HA SER A 2 -4.702 -14.504 -21.863 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.008 -12.275 -23.191 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.987 -11.557 -21.961 1.00 0.00 H new ATOM 0 HG SER A 2 -2.765 -12.331 -23.774 1.00 0.00 H new ATOM 19 N SER A 3 -2.637 -13.889 -20.318 1.00 0.00 N ATOM 20 CA SER A 3 -1.708 -13.909 -19.195 1.00 0.00 C ATOM 21 C SER A 3 -1.201 -12.504 -18.884 1.00 0.00 C ATOM 22 O SER A 3 -1.383 -11.577 -19.673 1.00 0.00 O ATOM 23 CB SER A 3 -0.528 -14.834 -19.498 1.00 0.00 C ATOM 24 OG SER A 3 0.197 -14.383 -20.629 1.00 0.00 O ATOM 0 H SER A 3 -2.243 -14.223 -21.197 1.00 0.00 H new ATOM 0 HA SER A 3 -2.241 -14.286 -18.322 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.133 -14.880 -18.633 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.892 -15.846 -19.675 1.00 0.00 H new ATOM 0 HG SER A 3 0.947 -14.990 -20.800 1.00 0.00 H new ATOM 30 N GLY A 4 -0.562 -12.354 -17.728 1.00 0.00 N ATOM 31 CA GLY A 4 -0.038 -11.059 -17.332 1.00 0.00 C ATOM 32 C GLY A 4 0.683 -11.109 -16.000 1.00 0.00 C ATOM 33 O GLY A 4 1.498 -12.000 -15.759 1.00 0.00 O ATOM 0 H GLY A 4 -0.398 -13.106 -17.058 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.647 -10.697 -18.099 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.857 -10.342 -17.272 1.00 0.00 H new ATOM 37 N SER A 5 0.384 -10.147 -15.131 1.00 0.00 N ATOM 38 CA SER A 5 1.014 -10.081 -13.818 1.00 0.00 C ATOM 39 C SER A 5 0.087 -10.638 -12.742 1.00 0.00 C ATOM 40 O SER A 5 -1.131 -10.680 -12.918 1.00 0.00 O ATOM 41 CB SER A 5 1.393 -8.638 -13.483 1.00 0.00 C ATOM 42 OG SER A 5 2.369 -8.144 -14.384 1.00 0.00 O ATOM 0 H SER A 5 -0.290 -9.404 -15.313 1.00 0.00 H new ATOM 0 HA SER A 5 1.918 -10.690 -13.845 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.505 -8.007 -13.522 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.776 -8.587 -12.464 1.00 0.00 H new ATOM 0 HG SER A 5 2.593 -7.219 -14.149 1.00 0.00 H new ATOM 48 N SER A 6 0.672 -11.065 -11.628 1.00 0.00 N ATOM 49 CA SER A 6 -0.100 -11.624 -10.524 1.00 0.00 C ATOM 50 C SER A 6 -0.866 -10.528 -9.788 1.00 0.00 C ATOM 51 O SER A 6 -2.090 -10.580 -9.674 1.00 0.00 O ATOM 52 CB SER A 6 0.822 -12.360 -9.550 1.00 0.00 C ATOM 53 OG SER A 6 1.224 -13.613 -10.076 1.00 0.00 O ATOM 0 H SER A 6 1.679 -11.035 -11.466 1.00 0.00 H new ATOM 0 HA SER A 6 -0.819 -12.332 -10.937 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.701 -11.749 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.308 -12.509 -8.600 1.00 0.00 H new ATOM 0 HG SER A 6 1.814 -14.063 -9.435 1.00 0.00 H new ATOM 59 N GLY A 7 -0.134 -9.536 -9.290 1.00 0.00 N ATOM 60 CA GLY A 7 -0.760 -8.442 -8.571 1.00 0.00 C ATOM 61 C GLY A 7 -0.585 -7.110 -9.273 1.00 0.00 C ATOM 62 O GLY A 7 -0.277 -7.066 -10.465 1.00 0.00 O ATOM 0 H GLY A 7 0.881 -9.471 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.823 -8.650 -8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.335 -8.380 -7.569 1.00 0.00 H new ATOM 66 N ARG A 8 -0.782 -6.023 -8.535 1.00 0.00 N ATOM 67 CA ARG A 8 -0.646 -4.684 -9.096 1.00 0.00 C ATOM 68 C ARG A 8 0.764 -4.143 -8.877 1.00 0.00 C ATOM 69 O ARG A 8 1.029 -3.456 -7.890 1.00 0.00 O ATOM 70 CB ARG A 8 -1.671 -3.738 -8.467 1.00 0.00 C ATOM 71 CG ARG A 8 -3.099 -4.005 -8.911 1.00 0.00 C ATOM 72 CD ARG A 8 -4.088 -3.120 -8.168 1.00 0.00 C ATOM 73 NE ARG A 8 -5.345 -2.971 -8.898 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.523 -2.099 -9.884 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.530 -1.303 -10.256 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.695 -2.023 -10.500 1.00 0.00 N ATOM 0 H ARG A 8 -1.036 -6.043 -7.547 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.830 -4.746 -10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.615 -3.825 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.407 -2.711 -8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.187 -3.830 -9.983 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.345 -5.053 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.288 -3.546 -7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.644 -2.138 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.129 -3.569 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.627 -1.360 -9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.669 -0.634 -11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.461 -2.634 -10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.831 -1.353 -11.257 1.00 0.00 H new ATOM 90 N MET A 9 1.664 -4.458 -9.802 1.00 0.00 N ATOM 91 CA MET A 9 3.046 -4.003 -9.710 1.00 0.00 C ATOM 92 C MET A 9 3.138 -2.497 -9.931 1.00 0.00 C ATOM 93 O MET A 9 3.224 -2.030 -11.067 1.00 0.00 O ATOM 94 CB MET A 9 3.916 -4.735 -10.734 1.00 0.00 C ATOM 95 CG MET A 9 3.993 -6.236 -10.504 1.00 0.00 C ATOM 96 SD MET A 9 5.552 -6.946 -11.067 1.00 0.00 S ATOM 97 CE MET A 9 6.252 -7.499 -9.515 1.00 0.00 C ATOM 0 H MET A 9 1.461 -5.027 -10.624 1.00 0.00 H new ATOM 0 HA MET A 9 3.411 -4.228 -8.708 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.522 -4.549 -11.733 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.923 -4.319 -10.706 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.866 -6.444 -9.442 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.168 -6.722 -11.024 1.00 0.00 H new ATOM 0 HE1 MET A 9 7.339 -7.426 -9.559 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.879 -6.874 -8.704 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.965 -8.535 -9.335 1.00 0.00 H new ATOM 107 N VAL A 10 3.120 -1.741 -8.838 1.00 0.00 N ATOM 108 CA VAL A 10 3.203 -0.287 -8.912 1.00 0.00 C ATOM 109 C VAL A 10 4.625 0.197 -8.653 1.00 0.00 C ATOM 110 O VAL A 10 5.204 -0.080 -7.603 1.00 0.00 O ATOM 111 CB VAL A 10 2.252 0.382 -7.902 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.372 1.896 -7.977 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.817 -0.060 -8.148 1.00 0.00 C ATOM 0 H VAL A 10 3.049 -2.111 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 10 2.905 -0.005 -9.922 1.00 0.00 H new ATOM 0 HB VAL A 10 2.538 0.068 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.693 2.351 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.396 2.192 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.114 2.232 -8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.159 0.422 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.517 0.223 -9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.746 -1.142 -8.038 1.00 0.00 H new ATOM 123 N GLY A 11 5.183 0.923 -9.616 1.00 0.00 N ATOM 124 CA GLY A 11 6.533 1.435 -9.473 1.00 0.00 C ATOM 125 C GLY A 11 6.564 2.831 -8.883 1.00 0.00 C ATOM 126 O GLY A 11 5.783 3.697 -9.279 1.00 0.00 O ATOM 0 H GLY A 11 4.724 1.166 -10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.108 0.762 -8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.020 1.445 -10.448 1.00 0.00 H new ATOM 130 N ILE A 12 7.468 3.051 -7.934 1.00 0.00 N ATOM 131 CA ILE A 12 7.596 4.351 -7.288 1.00 0.00 C ATOM 132 C ILE A 12 9.027 4.872 -7.381 1.00 0.00 C ATOM 133 O ILE A 12 9.983 4.098 -7.349 1.00 0.00 O ATOM 134 CB ILE A 12 7.180 4.288 -5.807 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.752 3.755 -5.678 1.00 0.00 C ATOM 136 CG2 ILE A 12 7.298 5.663 -5.165 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.665 2.245 -5.712 1.00 0.00 C ATOM 0 H ILE A 12 8.122 2.346 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 12 6.928 5.032 -7.815 1.00 0.00 H new ATOM 0 HB ILE A 12 7.851 3.606 -5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.322 4.115 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.146 4.164 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.001 5.602 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.330 6.007 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.648 6.365 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.623 1.938 -5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.065 1.879 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.244 1.829 -4.887 1.00 0.00 H new ATOM 149 N ARG A 13 9.165 6.189 -7.494 1.00 0.00 N ATOM 150 CA ARG A 13 10.479 6.814 -7.591 1.00 0.00 C ATOM 151 C ARG A 13 10.772 7.656 -6.354 1.00 0.00 C ATOM 152 O ARG A 13 11.339 8.745 -6.450 1.00 0.00 O ATOM 153 CB ARG A 13 10.562 7.685 -8.846 1.00 0.00 C ATOM 154 CG ARG A 13 11.985 7.957 -9.305 1.00 0.00 C ATOM 155 CD ARG A 13 12.053 8.174 -10.809 1.00 0.00 C ATOM 156 NE ARG A 13 13.429 8.192 -11.297 1.00 0.00 N ATOM 157 CZ ARG A 13 14.154 7.096 -11.492 1.00 0.00 C ATOM 158 NH1 ARG A 13 13.637 5.901 -11.241 1.00 0.00 N ATOM 159 NH2 ARG A 13 15.400 7.194 -11.939 1.00 0.00 N ATOM 0 H ARG A 13 8.383 6.844 -7.521 1.00 0.00 H new ATOM 0 HA ARG A 13 11.226 6.023 -7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.016 7.197 -9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.064 8.635 -8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.372 8.837 -8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.624 7.119 -9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.499 7.383 -11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.566 9.116 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 13 13.857 9.095 -11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.680 5.821 -10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.196 5.061 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.802 8.111 -12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.956 6.352 -12.088 1.00 0.00 H new ATOM 173 N LYS A 14 10.382 7.146 -5.190 1.00 0.00 N ATOM 174 CA LYS A 14 10.603 7.850 -3.933 1.00 0.00 C ATOM 175 C LYS A 14 12.090 8.104 -3.706 1.00 0.00 C ATOM 176 O LYS A 14 12.925 7.761 -4.543 1.00 0.00 O ATOM 177 CB LYS A 14 10.029 7.044 -2.766 1.00 0.00 C ATOM 178 CG LYS A 14 10.569 5.628 -2.680 1.00 0.00 C ATOM 179 CD LYS A 14 9.557 4.681 -2.058 1.00 0.00 C ATOM 180 CE LYS A 14 9.469 4.870 -0.551 1.00 0.00 C ATOM 181 NZ LYS A 14 9.038 3.623 0.140 1.00 0.00 N ATOM 0 H LYS A 14 9.911 6.247 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 14 10.092 8.811 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.248 7.564 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.944 7.005 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.832 5.277 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.485 5.622 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.577 4.850 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.836 3.651 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.440 5.181 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.766 5.672 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.892 3.819 1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.149 3.284 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.772 2.894 0.031 1.00 0.00 H new ATOM 195 N THR A 15 12.416 8.707 -2.567 1.00 0.00 N ATOM 196 CA THR A 15 13.801 9.007 -2.229 1.00 0.00 C ATOM 197 C THR A 15 14.223 8.292 -0.951 1.00 0.00 C ATOM 198 O THR A 15 13.501 8.303 0.045 1.00 0.00 O ATOM 199 CB THR A 15 14.022 10.521 -2.054 1.00 0.00 C ATOM 200 OG1 THR A 15 13.760 11.201 -3.286 1.00 0.00 O ATOM 201 CG2 THR A 15 15.445 10.812 -1.601 1.00 0.00 C ATOM 0 H THR A 15 11.738 8.997 -1.862 1.00 0.00 H new ATOM 0 HA THR A 15 14.412 8.652 -3.059 1.00 0.00 H new ATOM 0 HB THR A 15 13.333 10.879 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.901 12.163 -3.165 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.577 11.888 -1.484 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.631 10.318 -0.647 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.148 10.439 -2.346 1.00 0.00 H new ATOM 209 N ALA A 16 15.397 7.670 -0.985 1.00 0.00 N ATOM 210 CA ALA A 16 15.916 6.952 0.172 1.00 0.00 C ATOM 211 C ALA A 16 15.522 7.647 1.471 1.00 0.00 C ATOM 212 O ALA A 16 15.880 8.801 1.702 1.00 0.00 O ATOM 213 CB ALA A 16 17.429 6.823 0.078 1.00 0.00 C ATOM 0 H ALA A 16 16.007 7.649 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 16 15.477 5.954 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.803 6.285 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.692 6.276 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.877 7.816 0.045 1.00 0.00 H new ATOM 219 N GLY A 17 14.782 6.936 2.316 1.00 0.00 N ATOM 220 CA GLY A 17 14.351 7.502 3.581 1.00 0.00 C ATOM 221 C GLY A 17 12.908 7.964 3.548 1.00 0.00 C ATOM 222 O GLY A 17 12.144 7.700 4.476 1.00 0.00 O ATOM 0 H GLY A 17 14.473 5.979 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.473 6.758 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.993 8.345 3.836 1.00 0.00 H new ATOM 226 N GLU A 18 12.535 8.658 2.477 1.00 0.00 N ATOM 227 CA GLU A 18 11.174 9.160 2.329 1.00 0.00 C ATOM 228 C GLU A 18 10.166 8.188 2.936 1.00 0.00 C ATOM 229 O GLU A 18 10.243 6.978 2.714 1.00 0.00 O ATOM 230 CB GLU A 18 10.850 9.392 0.852 1.00 0.00 C ATOM 231 CG GLU A 18 9.852 10.514 0.617 1.00 0.00 C ATOM 232 CD GLU A 18 8.466 10.179 1.134 1.00 0.00 C ATOM 233 OE1 GLU A 18 7.971 9.073 0.833 1.00 0.00 O ATOM 234 OE2 GLU A 18 7.877 11.025 1.840 1.00 0.00 O ATOM 0 H GLU A 18 13.156 8.885 1.700 1.00 0.00 H new ATOM 0 HA GLU A 18 11.104 10.108 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.772 9.620 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.454 8.470 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.209 11.421 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.796 10.728 -0.450 1.00 0.00 H new ATOM 241 N HIS A 19 9.222 8.724 3.702 1.00 0.00 N ATOM 242 CA HIS A 19 8.199 7.905 4.341 1.00 0.00 C ATOM 243 C HIS A 19 6.868 8.027 3.606 1.00 0.00 C ATOM 244 O HIS A 19 6.569 9.062 3.009 1.00 0.00 O ATOM 245 CB HIS A 19 8.026 8.315 5.804 1.00 0.00 C ATOM 246 CG HIS A 19 9.320 8.444 6.546 1.00 0.00 C ATOM 247 ND1 HIS A 19 10.411 9.208 6.300 1.00 0.00 N flip ATOM 248 CD2 HIS A 19 9.605 7.732 7.693 1.00 0.00 C flip ATOM 249 CE1 HIS A 19 11.324 8.947 7.291 1.00 0.00 C flip ATOM 250 NE2 HIS A 19 10.813 8.053 8.119 1.00 0.00 N flip ATOM 0 H HIS A 19 9.144 9.722 3.895 1.00 0.00 H new ATOM 0 HA HIS A 19 8.524 6.865 4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.496 9.267 5.846 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.400 7.579 6.308 1.00 0.00 H new ATOM 0 HD2 HIS A 19 8.943 7.023 8.168 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.301 9.399 7.380 1.00 0.00 H new ATOM 0 HE2 HIS A 19 11.274 7.675 8.947 1.00 0.00 H new ATOM 259 N LEU A 20 6.072 6.964 3.652 1.00 0.00 N ATOM 260 CA LEU A 20 4.773 6.952 2.989 1.00 0.00 C ATOM 261 C LEU A 20 3.682 7.475 3.919 1.00 0.00 C ATOM 262 O LEU A 20 3.116 8.542 3.689 1.00 0.00 O ATOM 263 CB LEU A 20 4.428 5.535 2.526 1.00 0.00 C ATOM 264 CG LEU A 20 5.200 5.019 1.311 1.00 0.00 C ATOM 265 CD1 LEU A 20 6.609 4.609 1.709 1.00 0.00 C ATOM 266 CD2 LEU A 20 4.464 3.853 0.668 1.00 0.00 C ATOM 0 H LEU A 20 6.304 6.100 4.141 1.00 0.00 H new ATOM 0 HA LEU A 20 4.830 7.608 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.599 4.851 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.363 5.498 2.297 1.00 0.00 H new ATOM 0 HG LEU A 20 5.271 5.825 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.143 4.244 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.135 5.469 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.560 3.819 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.028 3.498 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.361 3.044 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.475 4.180 0.346 1.00 0.00 H new ATOM 278 N GLY A 21 3.394 6.715 4.971 1.00 0.00 N ATOM 279 CA GLY A 21 2.374 7.119 5.921 1.00 0.00 C ATOM 280 C GLY A 21 1.139 6.244 5.853 1.00 0.00 C ATOM 281 O GLY A 21 0.032 6.736 5.631 1.00 0.00 O ATOM 0 H GLY A 21 3.849 5.827 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.786 7.082 6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.093 8.154 5.729 1.00 0.00 H new ATOM 285 N VAL A 22 1.327 4.942 6.042 1.00 0.00 N ATOM 286 CA VAL A 22 0.218 3.995 6.000 1.00 0.00 C ATOM 287 C VAL A 22 0.382 2.911 7.059 1.00 0.00 C ATOM 288 O VAL A 22 1.499 2.506 7.383 1.00 0.00 O ATOM 289 CB VAL A 22 0.099 3.332 4.615 1.00 0.00 C ATOM 290 CG1 VAL A 22 -0.334 4.349 3.571 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.416 2.679 4.222 1.00 0.00 C ATOM 0 H VAL A 22 2.237 4.518 6.226 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.691 4.561 6.202 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.664 2.555 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.413 3.862 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.303 4.765 3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.403 5.151 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.314 2.215 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.200 3.435 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.679 1.918 4.957 1.00 0.00 H new ATOM 301 N THR A 23 -0.740 2.442 7.597 1.00 0.00 N ATOM 302 CA THR A 23 -0.723 1.405 8.620 1.00 0.00 C ATOM 303 C THR A 23 -1.253 0.084 8.073 1.00 0.00 C ATOM 304 O THR A 23 -2.382 0.010 7.589 1.00 0.00 O ATOM 305 CB THR A 23 -1.560 1.812 9.847 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.929 1.990 9.469 1.00 0.00 O ATOM 307 CG2 THR A 23 -1.027 3.097 10.463 1.00 0.00 C ATOM 0 H THR A 23 -1.673 2.765 7.340 1.00 0.00 H new ATOM 0 HA THR A 23 0.316 1.279 8.924 1.00 0.00 H new ATOM 0 HB THR A 23 -1.489 1.016 10.588 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.510 1.742 10.218 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.634 3.365 11.328 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.006 2.949 10.777 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.071 3.899 9.726 1.00 0.00 H new ATOM 315 N PHE A 24 -0.431 -0.957 8.154 1.00 0.00 N ATOM 316 CA PHE A 24 -0.817 -2.276 7.667 1.00 0.00 C ATOM 317 C PHE A 24 -1.261 -3.173 8.819 1.00 0.00 C ATOM 318 O PHE A 24 -0.748 -3.070 9.933 1.00 0.00 O ATOM 319 CB PHE A 24 0.347 -2.927 6.918 1.00 0.00 C ATOM 320 CG PHE A 24 0.890 -2.081 5.802 1.00 0.00 C ATOM 321 CD1 PHE A 24 0.271 -2.065 4.562 1.00 0.00 C ATOM 322 CD2 PHE A 24 2.020 -1.302 5.992 1.00 0.00 C ATOM 323 CE1 PHE A 24 0.769 -1.289 3.533 1.00 0.00 C ATOM 324 CE2 PHE A 24 2.522 -0.522 4.967 1.00 0.00 C ATOM 325 CZ PHE A 24 1.895 -0.515 3.736 1.00 0.00 C ATOM 0 H PHE A 24 0.507 -0.913 8.552 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.656 -2.152 6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.149 -3.141 7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.017 -3.883 6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.611 -2.666 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.514 -1.304 6.952 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.278 -1.288 2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.403 0.081 5.128 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.284 0.094 2.934 1.00 0.00 H new ATOM 335 N ARG A 25 -2.218 -4.052 8.541 1.00 0.00 N ATOM 336 CA ARG A 25 -2.733 -4.966 9.553 1.00 0.00 C ATOM 337 C ARG A 25 -2.433 -6.415 9.181 1.00 0.00 C ATOM 338 O ARG A 25 -2.770 -6.868 8.087 1.00 0.00 O ATOM 339 CB ARG A 25 -4.241 -4.773 9.725 1.00 0.00 C ATOM 340 CG ARG A 25 -5.065 -5.396 8.610 1.00 0.00 C ATOM 341 CD ARG A 25 -6.458 -4.789 8.541 1.00 0.00 C ATOM 342 NE ARG A 25 -7.182 -5.215 7.346 1.00 0.00 N ATOM 343 CZ ARG A 25 -8.396 -4.779 7.028 1.00 0.00 C ATOM 344 NH1 ARG A 25 -9.018 -3.909 7.811 1.00 0.00 N ATOM 345 NH2 ARG A 25 -8.990 -5.214 5.924 1.00 0.00 N ATOM 0 H ARG A 25 -2.652 -4.150 7.623 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.235 -4.741 10.496 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.548 -5.205 10.677 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.459 -3.706 9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.557 -5.252 7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.143 -6.471 8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.023 -5.075 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.381 -3.702 8.550 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.731 -5.884 6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.565 -3.572 8.660 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.950 -3.576 7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.515 -5.884 5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.922 -4.879 5.680 1.00 0.00 H new ATOM 359 N VAL A 26 -1.798 -7.137 10.098 1.00 0.00 N ATOM 360 CA VAL A 26 -1.453 -8.535 9.866 1.00 0.00 C ATOM 361 C VAL A 26 -2.591 -9.458 10.285 1.00 0.00 C ATOM 362 O VAL A 26 -2.855 -9.633 11.474 1.00 0.00 O ATOM 363 CB VAL A 26 -0.176 -8.932 10.631 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.322 -8.621 12.113 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.137 -10.404 10.415 1.00 0.00 C ATOM 0 H VAL A 26 -1.512 -6.777 11.009 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.275 -8.644 8.796 1.00 0.00 H new ATOM 0 HB VAL A 26 0.657 -8.346 10.242 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.590 -8.908 12.637 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.495 -7.553 12.245 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.165 -9.179 12.520 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.042 -10.668 10.962 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.695 -11.010 10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.288 -10.592 9.352 1.00 0.00 H new ATOM 375 N GLU A 27 -3.261 -10.047 9.300 1.00 0.00 N ATOM 376 CA GLU A 27 -4.372 -10.953 9.568 1.00 0.00 C ATOM 377 C GLU A 27 -4.053 -12.364 9.081 1.00 0.00 C ATOM 378 O GLU A 27 -4.031 -12.628 7.880 1.00 0.00 O ATOM 379 CB GLU A 27 -5.647 -10.446 8.892 1.00 0.00 C ATOM 380 CG GLU A 27 -5.971 -8.996 9.212 1.00 0.00 C ATOM 381 CD GLU A 27 -6.845 -8.852 10.443 1.00 0.00 C ATOM 382 OE1 GLU A 27 -6.832 -9.769 11.290 1.00 0.00 O ATOM 383 OE2 GLU A 27 -7.543 -7.823 10.558 1.00 0.00 O ATOM 0 H GLU A 27 -3.054 -9.913 8.310 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.529 -10.985 10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.544 -10.557 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.484 -11.073 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.043 -8.445 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.475 -8.543 8.358 1.00 0.00 H new ATOM 390 N GLY A 28 -3.805 -13.267 10.025 1.00 0.00 N ATOM 391 CA GLY A 28 -3.489 -14.639 9.674 1.00 0.00 C ATOM 392 C GLY A 28 -2.067 -14.797 9.173 1.00 0.00 C ATOM 393 O GLY A 28 -1.184 -15.224 9.915 1.00 0.00 O ATOM 0 H GLY A 28 -3.817 -13.073 11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.637 -15.277 10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.182 -14.983 8.906 1.00 0.00 H new ATOM 397 N GLY A 29 -1.845 -14.453 7.908 1.00 0.00 N ATOM 398 CA GLY A 29 -0.519 -14.568 7.330 1.00 0.00 C ATOM 399 C GLY A 29 -0.316 -13.632 6.155 1.00 0.00 C ATOM 400 O GLY A 29 0.395 -13.963 5.206 1.00 0.00 O ATOM 0 H GLY A 29 -2.560 -14.097 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.227 -14.353 8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.356 -15.595 7.005 1.00 0.00 H new ATOM 404 N GLU A 30 -0.943 -12.462 6.217 1.00 0.00 N ATOM 405 CA GLU A 30 -0.829 -11.477 5.147 1.00 0.00 C ATOM 406 C GLU A 30 -0.883 -10.058 5.706 1.00 0.00 C ATOM 407 O GLU A 30 -1.147 -9.855 6.892 1.00 0.00 O ATOM 408 CB GLU A 30 -1.946 -11.675 4.120 1.00 0.00 C ATOM 409 CG GLU A 30 -3.342 -11.519 4.701 1.00 0.00 C ATOM 410 CD GLU A 30 -4.409 -11.401 3.631 1.00 0.00 C ATOM 411 OE1 GLU A 30 -4.258 -12.038 2.568 1.00 0.00 O ATOM 412 OE2 GLU A 30 -5.397 -10.671 3.858 1.00 0.00 O ATOM 0 H GLU A 30 -1.535 -12.173 6.996 1.00 0.00 H new ATOM 0 HA GLU A 30 0.134 -11.620 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.816 -10.956 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.853 -12.669 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.564 -12.375 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.370 -10.634 5.336 1.00 0.00 H new ATOM 419 N LEU A 31 -0.629 -9.079 4.844 1.00 0.00 N ATOM 420 CA LEU A 31 -0.648 -7.678 5.251 1.00 0.00 C ATOM 421 C LEU A 31 -1.656 -6.885 4.425 1.00 0.00 C ATOM 422 O LEU A 31 -1.628 -6.916 3.195 1.00 0.00 O ATOM 423 CB LEU A 31 0.746 -7.065 5.101 1.00 0.00 C ATOM 424 CG LEU A 31 1.687 -7.239 6.294 1.00 0.00 C ATOM 425 CD1 LEU A 31 3.056 -6.655 5.983 1.00 0.00 C ATOM 426 CD2 LEU A 31 1.098 -6.590 7.537 1.00 0.00 C ATOM 0 H LEU A 31 -0.408 -9.229 3.860 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.948 -7.633 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.221 -7.502 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.633 -5.999 4.905 1.00 0.00 H new ATOM 0 HG LEU A 31 1.805 -8.305 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.712 -6.788 6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.482 -7.166 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.957 -5.592 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.781 -6.724 8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.950 -5.525 7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.140 -7.055 7.771 1.00 0.00 H new ATOM 438 N VAL A 32 -2.545 -6.174 5.111 1.00 0.00 N ATOM 439 CA VAL A 32 -3.560 -5.369 4.442 1.00 0.00 C ATOM 440 C VAL A 32 -3.619 -3.962 5.025 1.00 0.00 C ATOM 441 O VAL A 32 -3.685 -3.787 6.242 1.00 0.00 O ATOM 442 CB VAL A 32 -4.953 -6.018 4.552 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.982 -5.208 3.778 1.00 0.00 C ATOM 444 CG2 VAL A 32 -4.911 -7.456 4.057 1.00 0.00 C ATOM 0 H VAL A 32 -2.583 -6.139 6.130 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.276 -5.311 3.391 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.249 -6.028 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.960 -5.682 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.030 -4.198 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.695 -5.164 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.903 -7.899 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.594 -7.473 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.206 -8.028 4.660 1.00 0.00 H new ATOM 454 N ILE A 33 -3.595 -2.963 4.150 1.00 0.00 N ATOM 455 CA ILE A 33 -3.648 -1.571 4.579 1.00 0.00 C ATOM 456 C ILE A 33 -4.903 -1.295 5.399 1.00 0.00 C ATOM 457 O ILE A 33 -6.020 -1.363 4.886 1.00 0.00 O ATOM 458 CB ILE A 33 -3.613 -0.610 3.376 1.00 0.00 C ATOM 459 CG1 ILE A 33 -2.276 -0.726 2.641 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.848 0.822 3.835 1.00 0.00 C ATOM 461 CD1 ILE A 33 -2.260 -0.024 1.301 1.00 0.00 C ATOM 0 H ILE A 33 -3.539 -3.091 3.140 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.768 -1.398 5.198 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.411 -0.886 2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.488 -0.310 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.043 -1.780 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.820 1.489 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.822 0.894 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.070 1.110 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.282 -0.148 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.025 -0.455 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.462 1.038 1.444 1.00 0.00 H new ATOM 473 N ALA A 34 -4.712 -0.982 6.676 1.00 0.00 N ATOM 474 CA ALA A 34 -5.829 -0.692 7.567 1.00 0.00 C ATOM 475 C ALA A 34 -6.217 0.781 7.499 1.00 0.00 C ATOM 476 O ALA A 34 -7.400 1.122 7.510 1.00 0.00 O ATOM 477 CB ALA A 34 -5.479 -1.083 8.996 1.00 0.00 C ATOM 0 H ALA A 34 -3.794 -0.923 7.117 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.686 -1.281 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.322 -0.861 9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.258 -2.150 9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.606 -0.519 9.324 1.00 0.00 H new ATOM 483 N ARG A 35 -5.213 1.650 7.431 1.00 0.00 N ATOM 484 CA ARG A 35 -5.451 3.087 7.363 1.00 0.00 C ATOM 485 C ARG A 35 -4.330 3.787 6.601 1.00 0.00 C ATOM 486 O ARG A 35 -3.215 3.273 6.505 1.00 0.00 O ATOM 487 CB ARG A 35 -5.568 3.672 8.772 1.00 0.00 C ATOM 488 CG ARG A 35 -5.298 5.167 8.834 1.00 0.00 C ATOM 489 CD ARG A 35 -5.771 5.764 10.150 1.00 0.00 C ATOM 490 NE ARG A 35 -7.221 5.933 10.184 1.00 0.00 N ATOM 491 CZ ARG A 35 -7.846 6.746 11.028 1.00 0.00 C ATOM 492 NH1 ARG A 35 -7.152 7.461 11.903 1.00 0.00 N ATOM 493 NH2 ARG A 35 -9.169 6.846 10.998 1.00 0.00 N ATOM 0 H ARG A 35 -4.228 1.384 7.422 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.387 3.251 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.569 3.476 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.868 3.157 9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.230 5.350 8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.803 5.664 8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.462 5.119 10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.290 6.730 10.304 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.785 5.398 9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.135 7.388 11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.635 8.084 12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.707 6.298 10.326 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.648 7.471 11.647 1.00 0.00 H new ATOM 507 N ILE A 36 -4.634 4.962 6.060 1.00 0.00 N ATOM 508 CA ILE A 36 -3.652 5.733 5.307 1.00 0.00 C ATOM 509 C ILE A 36 -3.564 7.165 5.824 1.00 0.00 C ATOM 510 O ILE A 36 -4.523 7.932 5.726 1.00 0.00 O ATOM 511 CB ILE A 36 -3.990 5.761 3.805 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.987 4.342 3.233 1.00 0.00 C ATOM 513 CG2 ILE A 36 -3.002 6.642 3.056 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.816 4.195 1.976 1.00 0.00 C ATOM 0 H ILE A 36 -5.552 5.401 6.129 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.690 5.240 5.445 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.988 6.181 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.960 4.048 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.363 3.653 3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.254 6.652 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.049 7.657 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.993 6.249 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.768 3.164 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.852 4.457 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.426 4.858 1.204 1.00 0.00 H new ATOM 526 N LEU A 37 -2.407 7.520 6.372 1.00 0.00 N ATOM 527 CA LEU A 37 -2.192 8.862 6.903 1.00 0.00 C ATOM 528 C LEU A 37 -2.126 9.889 5.777 1.00 0.00 C ATOM 529 O LEU A 37 -1.198 9.879 4.967 1.00 0.00 O ATOM 530 CB LEU A 37 -0.903 8.906 7.725 1.00 0.00 C ATOM 531 CG LEU A 37 -1.014 8.429 9.173 1.00 0.00 C ATOM 532 CD1 LEU A 37 -1.082 6.911 9.233 1.00 0.00 C ATOM 533 CD2 LEU A 37 0.159 8.945 9.995 1.00 0.00 C ATOM 0 H LEU A 37 -1.604 6.898 6.460 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.035 9.110 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.153 8.298 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.533 9.931 7.729 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.935 8.829 9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.161 6.591 10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.954 6.564 8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.180 6.489 8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.064 8.596 11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.092 8.574 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.162 10.035 9.981 1.00 0.00 H new ATOM 545 N HIS A 38 -3.115 10.776 5.733 1.00 0.00 N ATOM 546 CA HIS A 38 -3.168 11.812 4.708 1.00 0.00 C ATOM 547 C HIS A 38 -1.827 12.531 4.593 1.00 0.00 C ATOM 548 O HIS A 38 -0.978 12.428 5.477 1.00 0.00 O ATOM 549 CB HIS A 38 -4.274 12.818 5.026 1.00 0.00 C ATOM 550 CG HIS A 38 -5.634 12.374 4.583 1.00 0.00 C ATOM 551 ND1 HIS A 38 -5.967 12.178 3.260 1.00 0.00 N ATOM 552 CD2 HIS A 38 -6.747 12.085 5.297 1.00 0.00 C ATOM 553 CE1 HIS A 38 -7.227 11.790 3.178 1.00 0.00 C ATOM 554 NE2 HIS A 38 -7.723 11.724 4.401 1.00 0.00 N ATOM 0 H HIS A 38 -3.890 10.798 6.395 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.387 11.333 3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.292 12.998 6.101 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.038 13.768 4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.849 12.130 6.371 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.761 11.565 2.267 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -8.676 11.450 4.641 1.00 0.00 H new ATOM 563 N GLY A 39 -1.644 13.261 3.496 1.00 0.00 N ATOM 564 CA GLY A 39 -0.404 13.985 3.286 1.00 0.00 C ATOM 565 C GLY A 39 0.808 13.075 3.292 1.00 0.00 C ATOM 566 O GLY A 39 1.522 12.988 4.289 1.00 0.00 O ATOM 0 H GLY A 39 -2.332 13.364 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.453 14.514 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.291 14.740 4.064 1.00 0.00 H new ATOM 570 N GLY A 40 1.039 12.393 2.174 1.00 0.00 N ATOM 571 CA GLY A 40 2.173 11.492 2.077 1.00 0.00 C ATOM 572 C GLY A 40 2.437 11.045 0.653 1.00 0.00 C ATOM 573 O GLY A 40 2.699 11.867 -0.225 1.00 0.00 O ATOM 0 H GLY A 40 0.462 12.448 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.061 11.987 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.993 10.617 2.702 1.00 0.00 H new ATOM 577 N MET A 41 2.371 9.737 0.422 1.00 0.00 N ATOM 578 CA MET A 41 2.605 9.183 -0.906 1.00 0.00 C ATOM 579 C MET A 41 1.368 8.451 -1.416 1.00 0.00 C ATOM 580 O MET A 41 0.912 8.688 -2.535 1.00 0.00 O ATOM 581 CB MET A 41 3.801 8.229 -0.879 1.00 0.00 C ATOM 582 CG MET A 41 3.957 7.415 -2.154 1.00 0.00 C ATOM 583 SD MET A 41 4.782 8.334 -3.468 1.00 0.00 S ATOM 584 CE MET A 41 6.290 8.831 -2.638 1.00 0.00 C ATOM 0 H MET A 41 2.157 9.042 1.137 1.00 0.00 H new ATOM 0 HA MET A 41 2.822 10.008 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.711 8.805 -0.711 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.694 7.549 -0.034 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.526 6.511 -1.936 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.974 7.097 -2.500 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.100 8.897 -3.364 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.143 9.804 -2.168 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.545 8.095 -1.876 1.00 0.00 H new ATOM 594 N VAL A 42 0.828 7.561 -0.588 1.00 0.00 N ATOM 595 CA VAL A 42 -0.357 6.796 -0.956 1.00 0.00 C ATOM 596 C VAL A 42 -1.534 7.717 -1.257 1.00 0.00 C ATOM 597 O VAL A 42 -2.239 7.536 -2.249 1.00 0.00 O ATOM 598 CB VAL A 42 -0.759 5.814 0.160 1.00 0.00 C ATOM 599 CG1 VAL A 42 -2.075 5.131 -0.178 1.00 0.00 C ATOM 600 CG2 VAL A 42 0.340 4.788 0.389 1.00 0.00 C ATOM 0 H VAL A 42 1.193 7.353 0.341 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.104 6.231 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.896 6.377 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.343 4.441 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.857 5.882 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.969 4.580 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.038 4.102 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.512 4.228 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.258 5.298 0.680 1.00 0.00 H new ATOM 610 N ALA A 43 -1.741 8.705 -0.393 1.00 0.00 N ATOM 611 CA ALA A 43 -2.831 9.657 -0.567 1.00 0.00 C ATOM 612 C ALA A 43 -2.679 10.434 -1.870 1.00 0.00 C ATOM 613 O ALA A 43 -3.608 10.503 -2.674 1.00 0.00 O ATOM 614 CB ALA A 43 -2.893 10.612 0.616 1.00 0.00 C ATOM 0 H ALA A 43 -1.168 8.867 0.435 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.765 9.097 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.712 11.317 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.059 10.046 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.953 11.158 0.692 1.00 0.00 H new ATOM 620 N GLN A 44 -1.502 11.019 -2.070 1.00 0.00 N ATOM 621 CA GLN A 44 -1.229 11.793 -3.276 1.00 0.00 C ATOM 622 C GLN A 44 -1.404 10.935 -4.524 1.00 0.00 C ATOM 623 O GLN A 44 -2.158 11.288 -5.430 1.00 0.00 O ATOM 624 CB GLN A 44 0.188 12.366 -3.230 1.00 0.00 C ATOM 625 CG GLN A 44 0.458 13.223 -2.004 1.00 0.00 C ATOM 626 CD GLN A 44 1.591 14.207 -2.218 1.00 0.00 C ATOM 627 OE1 GLN A 44 2.610 13.876 -2.825 1.00 0.00 O ATOM 628 NE2 GLN A 44 1.419 15.426 -1.720 1.00 0.00 N ATOM 0 H GLN A 44 -0.723 10.972 -1.413 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.944 12.615 -3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.904 11.545 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.359 12.964 -4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.448 13.769 -1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.698 12.577 -1.159 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.558 15.657 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.147 16.131 -1.834 1.00 0.00 H new ATOM 637 N GLN A 45 -0.701 9.807 -4.564 1.00 0.00 N ATOM 638 CA GLN A 45 -0.778 8.900 -5.703 1.00 0.00 C ATOM 639 C GLN A 45 -2.226 8.534 -6.011 1.00 0.00 C ATOM 640 O GLN A 45 -2.727 8.805 -7.101 1.00 0.00 O ATOM 641 CB GLN A 45 0.033 7.633 -5.428 1.00 0.00 C ATOM 642 CG GLN A 45 1.487 7.735 -5.861 1.00 0.00 C ATOM 643 CD GLN A 45 1.637 8.176 -7.304 1.00 0.00 C ATOM 644 OE1 GLN A 45 0.718 8.026 -8.110 1.00 0.00 O ATOM 645 NE2 GLN A 45 2.799 8.724 -7.638 1.00 0.00 N ATOM 0 H GLN A 45 -0.073 9.500 -3.822 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.359 9.410 -6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.005 7.412 -4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.433 6.794 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.006 8.441 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.970 6.767 -5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.533 8.829 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.958 9.040 -8.595 1.00 0.00 H new ATOM 654 N GLY A 46 -2.894 7.916 -5.042 1.00 0.00 N ATOM 655 CA GLY A 46 -4.279 7.522 -5.229 1.00 0.00 C ATOM 656 C GLY A 46 -4.412 6.193 -5.946 1.00 0.00 C ATOM 657 O GLY A 46 -5.317 6.006 -6.760 1.00 0.00 O ATOM 0 H GLY A 46 -2.501 7.681 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.770 7.458 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.799 8.292 -5.799 1.00 0.00 H new ATOM 661 N LEU A 47 -3.507 5.268 -5.647 1.00 0.00 N ATOM 662 CA LEU A 47 -3.526 3.949 -6.270 1.00 0.00 C ATOM 663 C LEU A 47 -3.906 2.874 -5.257 1.00 0.00 C ATOM 664 O LEU A 47 -4.648 1.943 -5.573 1.00 0.00 O ATOM 665 CB LEU A 47 -2.159 3.632 -6.879 1.00 0.00 C ATOM 666 CG LEU A 47 -1.537 4.731 -7.742 1.00 0.00 C ATOM 667 CD1 LEU A 47 -0.107 4.372 -8.114 1.00 0.00 C ATOM 668 CD2 LEU A 47 -2.373 4.964 -8.992 1.00 0.00 C ATOM 0 H LEU A 47 -2.751 5.407 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.276 3.958 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.468 3.399 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.254 2.731 -7.486 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.519 5.655 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.319 5.165 -8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.487 4.256 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.101 3.437 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.916 5.749 -9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.423 4.043 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.380 5.267 -8.705 1.00 0.00 H new ATOM 680 N LEU A 48 -3.393 3.008 -4.039 1.00 0.00 N ATOM 681 CA LEU A 48 -3.681 2.049 -2.978 1.00 0.00 C ATOM 682 C LEU A 48 -4.803 2.554 -2.077 1.00 0.00 C ATOM 683 O LEU A 48 -5.231 3.704 -2.185 1.00 0.00 O ATOM 684 CB LEU A 48 -2.424 1.787 -2.147 1.00 0.00 C ATOM 685 CG LEU A 48 -1.138 1.535 -2.935 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.074 1.996 -2.141 1.00 0.00 C ATOM 687 CD2 LEU A 48 -1.013 0.062 -3.296 1.00 0.00 C ATOM 0 H LEU A 48 -2.776 3.771 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.004 1.117 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.262 2.642 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.609 0.924 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.182 2.112 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.980 1.809 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.011 3.063 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.123 1.447 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.092 -0.098 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.992 -0.535 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.866 -0.237 -3.906 1.00 0.00 H new ATOM 699 N HIS A 49 -5.276 1.687 -1.187 1.00 0.00 N ATOM 700 CA HIS A 49 -6.348 2.046 -0.265 1.00 0.00 C ATOM 701 C HIS A 49 -6.602 0.923 0.736 1.00 0.00 C ATOM 702 O HIS A 49 -6.118 -0.197 0.565 1.00 0.00 O ATOM 703 CB HIS A 49 -7.631 2.356 -1.037 1.00 0.00 C ATOM 704 CG HIS A 49 -7.764 3.797 -1.423 1.00 0.00 C ATOM 705 ND1 HIS A 49 -7.852 4.818 -0.500 1.00 0.00 N ATOM 706 CD2 HIS A 49 -7.822 4.386 -2.640 1.00 0.00 C ATOM 707 CE1 HIS A 49 -7.960 5.973 -1.133 1.00 0.00 C ATOM 708 NE2 HIS A 49 -7.944 5.738 -2.432 1.00 0.00 N ATOM 0 H HIS A 49 -4.934 0.731 -1.085 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.039 2.936 0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.661 1.743 -1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.489 2.071 -0.429 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.780 3.886 -3.596 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.047 6.944 -0.667 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.011 6.446 -3.163 1.00 0.00 H new ATOM 717 N VAL A 50 -7.363 1.229 1.782 1.00 0.00 N ATOM 718 CA VAL A 50 -7.681 0.246 2.810 1.00 0.00 C ATOM 719 C VAL A 50 -8.239 -1.032 2.195 1.00 0.00 C ATOM 720 O VAL A 50 -9.270 -1.012 1.524 1.00 0.00 O ATOM 721 CB VAL A 50 -8.700 0.803 3.822 1.00 0.00 C ATOM 722 CG1 VAL A 50 -9.042 -0.248 4.868 1.00 0.00 C ATOM 723 CG2 VAL A 50 -8.162 2.065 4.479 1.00 0.00 C ATOM 0 H VAL A 50 -7.771 2.151 1.940 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.750 0.019 3.330 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.614 1.060 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.763 0.163 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.471 -1.122 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.137 -0.539 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.895 2.445 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.233 1.836 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.972 2.820 3.716 1.00 0.00 H new ATOM 733 N GLY A 51 -7.550 -2.145 2.428 1.00 0.00 N ATOM 734 CA GLY A 51 -7.992 -3.418 1.890 1.00 0.00 C ATOM 735 C GLY A 51 -7.144 -3.879 0.721 1.00 0.00 C ATOM 736 O GLY A 51 -7.650 -4.498 -0.216 1.00 0.00 O ATOM 0 H GLY A 51 -6.693 -2.188 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.961 -4.172 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.031 -3.333 1.570 1.00 0.00 H new ATOM 740 N ASP A 52 -5.852 -3.576 0.773 1.00 0.00 N ATOM 741 CA ASP A 52 -4.932 -3.963 -0.290 1.00 0.00 C ATOM 742 C ASP A 52 -3.863 -4.915 0.236 1.00 0.00 C ATOM 743 O ASP A 52 -2.956 -4.506 0.961 1.00 0.00 O ATOM 744 CB ASP A 52 -4.274 -2.724 -0.900 1.00 0.00 C ATOM 745 CG ASP A 52 -5.072 -2.153 -2.056 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.434 -2.927 -2.967 1.00 0.00 O ATOM 747 OD2 ASP A 52 -5.336 -0.933 -2.049 1.00 0.00 O ATOM 0 H ASP A 52 -5.418 -3.063 1.540 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.504 -4.479 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.159 -1.961 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.273 -2.981 -1.246 1.00 0.00 H new ATOM 752 N ILE A 53 -3.977 -6.186 -0.134 1.00 0.00 N ATOM 753 CA ILE A 53 -3.021 -7.196 0.301 1.00 0.00 C ATOM 754 C ILE A 53 -1.717 -7.094 -0.484 1.00 0.00 C ATOM 755 O ILE A 53 -1.719 -7.120 -1.715 1.00 0.00 O ATOM 756 CB ILE A 53 -3.592 -8.618 0.142 1.00 0.00 C ATOM 757 CG1 ILE A 53 -4.954 -8.723 0.830 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.624 -9.644 0.712 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.783 -9.896 0.353 1.00 0.00 C ATOM 0 H ILE A 53 -4.722 -6.541 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.823 -7.008 1.356 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.725 -8.824 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.803 -8.809 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.511 -7.802 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.041 -10.644 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.674 -9.582 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.462 -9.443 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.735 -9.908 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.965 -9.801 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.247 -10.824 0.549 1.00 0.00 H new ATOM 771 N ILE A 54 -0.607 -6.978 0.236 1.00 0.00 N ATOM 772 CA ILE A 54 0.704 -6.874 -0.393 1.00 0.00 C ATOM 773 C ILE A 54 1.389 -8.234 -0.463 1.00 0.00 C ATOM 774 O ILE A 54 1.581 -8.899 0.556 1.00 0.00 O ATOM 775 CB ILE A 54 1.615 -5.890 0.364 1.00 0.00 C ATOM 776 CG1 ILE A 54 0.958 -4.511 0.444 1.00 0.00 C ATOM 777 CG2 ILE A 54 2.974 -5.797 -0.316 1.00 0.00 C ATOM 778 CD1 ILE A 54 1.388 -3.706 1.651 1.00 0.00 C ATOM 0 H ILE A 54 -0.589 -6.954 1.256 1.00 0.00 H new ATOM 0 HA ILE A 54 0.541 -6.500 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 54 1.762 -6.261 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.197 -3.951 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.125 -4.634 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.607 -5.098 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.444 -6.780 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.845 -5.446 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.883 -2.740 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.125 -4.246 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.467 -3.552 1.620 1.00 0.00 H new ATOM 790 N LYS A 55 1.760 -8.643 -1.672 1.00 0.00 N ATOM 791 CA LYS A 55 2.428 -9.923 -1.876 1.00 0.00 C ATOM 792 C LYS A 55 3.923 -9.806 -1.602 1.00 0.00 C ATOM 793 O LYS A 55 4.458 -10.485 -0.726 1.00 0.00 O ATOM 794 CB LYS A 55 2.197 -10.419 -3.305 1.00 0.00 C ATOM 795 CG LYS A 55 0.904 -11.197 -3.478 1.00 0.00 C ATOM 796 CD LYS A 55 1.111 -12.683 -3.237 1.00 0.00 C ATOM 797 CE LYS A 55 1.478 -13.410 -4.522 1.00 0.00 C ATOM 798 NZ LYS A 55 0.510 -13.124 -5.617 1.00 0.00 N ATOM 0 H LYS A 55 1.609 -8.106 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 55 2.004 -10.642 -1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.190 -9.564 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.034 -11.052 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.154 -10.816 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.516 -11.041 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.900 -12.827 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.201 -13.115 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.479 -13.112 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.509 -14.484 -4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.897 -13.465 -6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.389 -13.608 -5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.346 -12.099 -5.676 1.00 0.00 H new ATOM 812 N GLU A 56 4.593 -8.939 -2.356 1.00 0.00 N ATOM 813 CA GLU A 56 6.027 -8.734 -2.192 1.00 0.00 C ATOM 814 C GLU A 56 6.431 -7.333 -2.642 1.00 0.00 C ATOM 815 O GLU A 56 5.597 -6.550 -3.098 1.00 0.00 O ATOM 816 CB GLU A 56 6.809 -9.782 -2.987 1.00 0.00 C ATOM 817 CG GLU A 56 8.151 -10.138 -2.369 1.00 0.00 C ATOM 818 CD GLU A 56 8.624 -11.524 -2.761 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.568 -11.853 -3.964 1.00 0.00 O ATOM 820 OE2 GLU A 56 9.050 -12.281 -1.863 1.00 0.00 O ATOM 0 H GLU A 56 4.166 -8.368 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 56 6.264 -8.840 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.206 -10.686 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.971 -9.411 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.895 -9.404 -2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.074 -10.078 -1.283 1.00 0.00 H new ATOM 827 N VAL A 57 7.717 -7.023 -2.511 1.00 0.00 N ATOM 828 CA VAL A 57 8.233 -5.717 -2.904 1.00 0.00 C ATOM 829 C VAL A 57 9.623 -5.838 -3.518 1.00 0.00 C ATOM 830 O VAL A 57 10.542 -6.371 -2.899 1.00 0.00 O ATOM 831 CB VAL A 57 8.296 -4.754 -1.704 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.669 -3.352 -2.163 1.00 0.00 C ATOM 833 CG2 VAL A 57 6.969 -4.744 -0.959 1.00 0.00 C ATOM 0 H VAL A 57 8.421 -7.659 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 57 7.544 -5.315 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 57 9.069 -5.104 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.709 -2.686 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.645 -3.376 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.921 -2.989 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.031 -4.058 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.176 -4.419 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.748 -5.748 -0.596 1.00 0.00 H new ATOM 843 N ASN A 58 9.769 -5.337 -4.741 1.00 0.00 N ATOM 844 CA ASN A 58 11.048 -5.389 -5.440 1.00 0.00 C ATOM 845 C ASN A 58 11.786 -6.687 -5.128 1.00 0.00 C ATOM 846 O ASN A 58 13.013 -6.710 -5.039 1.00 0.00 O ATOM 847 CB ASN A 58 11.915 -4.190 -5.050 1.00 0.00 C ATOM 848 CG ASN A 58 12.280 -4.195 -3.578 1.00 0.00 C ATOM 849 OD1 ASN A 58 12.650 -5.230 -3.022 1.00 0.00 O ATOM 850 ND2 ASN A 58 12.178 -3.036 -2.939 1.00 0.00 N ATOM 0 H ASN A 58 9.018 -4.891 -5.268 1.00 0.00 H new ATOM 0 HA ASN A 58 10.850 -5.353 -6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.827 -4.195 -5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.383 -3.268 -5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.410 -2.978 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.867 -2.203 -3.439 1.00 0.00 H new ATOM 857 N GLY A 59 11.029 -7.768 -4.964 1.00 0.00 N ATOM 858 CA GLY A 59 11.628 -9.055 -4.665 1.00 0.00 C ATOM 859 C GLY A 59 12.045 -9.177 -3.213 1.00 0.00 C ATOM 860 O GLY A 59 13.099 -9.736 -2.909 1.00 0.00 O ATOM 0 H GLY A 59 10.011 -7.775 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.918 -9.847 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.499 -9.204 -5.304 1.00 0.00 H new ATOM 864 N GLN A 60 11.219 -8.651 -2.315 1.00 0.00 N ATOM 865 CA GLN A 60 11.510 -8.702 -0.887 1.00 0.00 C ATOM 866 C GLN A 60 10.241 -8.960 -0.082 1.00 0.00 C ATOM 867 O GLN A 60 9.170 -8.432 -0.379 1.00 0.00 O ATOM 868 CB GLN A 60 12.160 -7.394 -0.431 1.00 0.00 C ATOM 869 CG GLN A 60 13.573 -7.201 -0.960 1.00 0.00 C ATOM 870 CD GLN A 60 14.542 -8.239 -0.429 1.00 0.00 C ATOM 871 OE1 GLN A 60 14.647 -8.446 0.781 1.00 0.00 O ATOM 872 NE2 GLN A 60 15.257 -8.898 -1.333 1.00 0.00 N ATOM 0 H GLN A 60 10.343 -8.185 -2.551 1.00 0.00 H new ATOM 0 HA GLN A 60 12.203 -9.525 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.541 -6.558 -0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.182 -7.369 0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.559 -7.247 -2.049 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.926 -6.207 -0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.137 -8.694 -2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.926 -9.608 -1.035 1.00 0.00 H new ATOM 881 N PRO A 61 10.362 -9.793 0.963 1.00 0.00 N ATOM 882 CA PRO A 61 9.235 -10.140 1.833 1.00 0.00 C ATOM 883 C PRO A 61 8.785 -8.966 2.696 1.00 0.00 C ATOM 884 O PRO A 61 9.588 -8.362 3.406 1.00 0.00 O ATOM 885 CB PRO A 61 9.796 -11.264 2.709 1.00 0.00 C ATOM 886 CG PRO A 61 11.268 -11.035 2.722 1.00 0.00 C ATOM 887 CD PRO A 61 11.609 -10.459 1.375 1.00 0.00 C ATOM 0 HA PRO A 61 8.352 -10.426 1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.381 -11.226 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.551 -12.244 2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.549 -10.350 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.806 -11.967 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.439 -9.755 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.902 -11.236 0.668 1.00 0.00 H new ATOM 895 N VAL A 62 7.496 -8.649 2.629 1.00 0.00 N ATOM 896 CA VAL A 62 6.939 -7.548 3.406 1.00 0.00 C ATOM 897 C VAL A 62 6.926 -7.877 4.895 1.00 0.00 C ATOM 898 O VAL A 62 6.582 -7.035 5.724 1.00 0.00 O ATOM 899 CB VAL A 62 5.506 -7.210 2.953 1.00 0.00 C ATOM 900 CG1 VAL A 62 5.510 -6.651 1.539 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.615 -8.440 3.046 1.00 0.00 C ATOM 0 H VAL A 62 6.818 -9.139 2.045 1.00 0.00 H new ATOM 0 HA VAL A 62 7.580 -6.683 3.234 1.00 0.00 H new ATOM 0 HB VAL A 62 5.104 -6.446 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.489 -6.418 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.113 -5.744 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.931 -7.390 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.606 -8.184 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.013 -9.227 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.587 -8.792 4.077 1.00 0.00 H new ATOM 911 N GLY A 63 7.303 -9.108 5.227 1.00 0.00 N ATOM 912 CA GLY A 63 7.328 -9.526 6.616 1.00 0.00 C ATOM 913 C GLY A 63 5.967 -9.428 7.276 1.00 0.00 C ATOM 914 O GLY A 63 5.433 -8.334 7.453 1.00 0.00 O ATOM 0 H GLY A 63 7.591 -9.823 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.684 -10.554 6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.040 -8.909 7.165 1.00 0.00 H new ATOM 918 N SER A 64 5.403 -10.576 7.638 1.00 0.00 N ATOM 919 CA SER A 64 4.093 -10.615 8.277 1.00 0.00 C ATOM 920 C SER A 64 3.894 -9.405 9.185 1.00 0.00 C ATOM 921 O SER A 64 2.829 -8.788 9.191 1.00 0.00 O ATOM 922 CB SER A 64 3.935 -11.905 9.086 1.00 0.00 C ATOM 923 OG SER A 64 2.577 -12.134 9.419 1.00 0.00 O ATOM 0 H SER A 64 5.833 -11.491 7.500 1.00 0.00 H new ATOM 0 HA SER A 64 3.334 -10.589 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.319 -12.748 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.531 -11.842 9.997 1.00 0.00 H new ATOM 0 HG SER A 64 2.502 -12.964 9.934 1.00 0.00 H new ATOM 929 N ASP A 65 4.928 -9.072 9.950 1.00 0.00 N ATOM 930 CA ASP A 65 4.869 -7.935 10.862 1.00 0.00 C ATOM 931 C ASP A 65 4.682 -6.631 10.093 1.00 0.00 C ATOM 932 O ASP A 65 5.487 -6.266 9.236 1.00 0.00 O ATOM 933 CB ASP A 65 6.142 -7.866 11.707 1.00 0.00 C ATOM 934 CG ASP A 65 6.460 -9.184 12.385 1.00 0.00 C ATOM 935 OD1 ASP A 65 5.517 -9.842 12.875 1.00 0.00 O ATOM 936 OD2 ASP A 65 7.650 -9.558 12.426 1.00 0.00 O ATOM 0 H ASP A 65 5.817 -9.573 9.957 1.00 0.00 H new ATOM 0 HA ASP A 65 4.012 -8.073 11.521 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.980 -7.576 11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.031 -7.089 12.464 1.00 0.00 H new ATOM 941 N PRO A 66 3.593 -5.911 10.404 1.00 0.00 N ATOM 942 CA PRO A 66 3.275 -4.637 9.753 1.00 0.00 C ATOM 943 C PRO A 66 4.242 -3.527 10.147 1.00 0.00 C ATOM 944 O PRO A 66 4.721 -2.776 9.297 1.00 0.00 O ATOM 945 CB PRO A 66 1.865 -4.323 10.259 1.00 0.00 C ATOM 946 CG PRO A 66 1.762 -5.040 11.561 1.00 0.00 C ATOM 947 CD PRO A 66 2.591 -6.286 11.415 1.00 0.00 C ATOM 0 HA PRO A 66 3.348 -4.704 8.668 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.719 -3.250 10.385 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.106 -4.667 9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.130 -4.420 12.378 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.725 -5.286 11.790 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.058 -6.571 12.358 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.989 -7.134 11.089 1.00 0.00 H new ATOM 955 N ARG A 67 4.527 -3.428 11.442 1.00 0.00 N ATOM 956 CA ARG A 67 5.437 -2.409 11.949 1.00 0.00 C ATOM 957 C ARG A 67 6.800 -2.511 11.271 1.00 0.00 C ATOM 958 O ARG A 67 7.432 -1.500 10.970 1.00 0.00 O ATOM 959 CB ARG A 67 5.597 -2.545 13.464 1.00 0.00 C ATOM 960 CG ARG A 67 4.281 -2.502 14.222 1.00 0.00 C ATOM 961 CD ARG A 67 4.473 -2.842 15.692 1.00 0.00 C ATOM 962 NE ARG A 67 4.765 -1.657 16.494 1.00 0.00 N ATOM 963 CZ ARG A 67 3.830 -0.839 16.964 1.00 0.00 C ATOM 964 NH1 ARG A 67 2.549 -1.077 16.714 1.00 0.00 N ATOM 965 NH2 ARG A 67 4.174 0.219 17.687 1.00 0.00 N ATOM 0 H ARG A 67 4.140 -4.042 12.159 1.00 0.00 H new ATOM 0 HA ARG A 67 5.010 -1.432 11.722 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.103 -3.485 13.684 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.241 -1.744 13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.840 -1.509 14.132 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.579 -3.205 13.774 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.573 -3.325 16.073 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.287 -3.559 15.795 1.00 0.00 H new ATOM 0 HE ARG A 67 5.740 -1.446 16.705 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.280 -1.890 16.160 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.833 -0.447 17.076 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.158 0.405 17.883 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.455 0.846 18.047 1.00 0.00 H new ATOM 979 N ALA A 68 7.247 -3.741 11.035 1.00 0.00 N ATOM 980 CA ALA A 68 8.534 -3.976 10.392 1.00 0.00 C ATOM 981 C ALA A 68 8.481 -3.616 8.911 1.00 0.00 C ATOM 982 O ALA A 68 9.472 -3.165 8.336 1.00 0.00 O ATOM 983 CB ALA A 68 8.955 -5.427 10.570 1.00 0.00 C ATOM 0 H ALA A 68 6.737 -4.590 11.280 1.00 0.00 H new ATOM 0 HA ALA A 68 9.274 -3.333 10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.918 -5.589 10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.042 -5.653 11.633 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.208 -6.081 10.120 1.00 0.00 H new ATOM 989 N LEU A 69 7.320 -3.820 8.299 1.00 0.00 N ATOM 990 CA LEU A 69 7.138 -3.518 6.883 1.00 0.00 C ATOM 991 C LEU A 69 7.378 -2.037 6.607 1.00 0.00 C ATOM 992 O LEU A 69 8.308 -1.673 5.887 1.00 0.00 O ATOM 993 CB LEU A 69 5.729 -3.910 6.434 1.00 0.00 C ATOM 994 CG LEU A 69 5.245 -3.288 5.124 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.141 -3.711 3.970 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.800 -3.679 4.850 1.00 0.00 C ATOM 0 H LEU A 69 6.490 -4.193 8.761 1.00 0.00 H new ATOM 0 HA LEU A 69 7.867 -4.097 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.690 -4.995 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.029 -3.637 7.223 1.00 0.00 H new ATOM 0 HG LEU A 69 5.295 -2.203 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.782 -3.259 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.162 -3.381 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.123 -4.797 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.472 -3.227 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.724 -4.764 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.167 -3.326 5.664 1.00 0.00 H new ATOM 1008 N GLN A 70 6.535 -1.188 7.186 1.00 0.00 N ATOM 1009 CA GLN A 70 6.657 0.254 7.004 1.00 0.00 C ATOM 1010 C GLN A 70 8.114 0.693 7.105 1.00 0.00 C ATOM 1011 O GLN A 70 8.523 1.667 6.474 1.00 0.00 O ATOM 1012 CB GLN A 70 5.815 0.994 8.044 1.00 0.00 C ATOM 1013 CG GLN A 70 4.317 0.849 7.829 1.00 0.00 C ATOM 1014 CD GLN A 70 3.513 1.199 9.065 1.00 0.00 C ATOM 1015 OE1 GLN A 70 2.411 0.489 9.276 1.00 0.00 O flip ATOM 1016 NE2 GLN A 70 3.879 2.098 9.823 1.00 0.00 N flip ATOM 0 H GLN A 70 5.760 -1.474 7.785 1.00 0.00 H new ATOM 0 HA GLN A 70 6.290 0.502 6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.069 0.622 9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.076 2.052 8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.008 1.493 7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.094 -0.176 7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.733 2.618 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.328 2.322 10.652 1.00 0.00 H new ATOM 1025 N GLU A 71 8.892 -0.031 7.904 1.00 0.00 N ATOM 1026 CA GLU A 71 10.303 0.287 8.089 1.00 0.00 C ATOM 1027 C GLU A 71 11.122 -0.150 6.877 1.00 0.00 C ATOM 1028 O GLU A 71 12.090 0.510 6.498 1.00 0.00 O ATOM 1029 CB GLU A 71 10.840 -0.390 9.352 1.00 0.00 C ATOM 1030 CG GLU A 71 12.343 -0.249 9.525 1.00 0.00 C ATOM 1031 CD GLU A 71 12.812 -0.663 10.907 1.00 0.00 C ATOM 1032 OE1 GLU A 71 12.337 -1.705 11.406 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.653 0.054 11.488 1.00 0.00 O ATOM 0 H GLU A 71 8.569 -0.841 8.433 1.00 0.00 H new ATOM 0 HA GLU A 71 10.395 1.368 8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.341 0.036 10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.584 -1.449 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.850 -0.857 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.631 0.786 9.343 1.00 0.00 H new ATOM 1040 N LEU A 72 10.726 -1.265 6.274 1.00 0.00 N ATOM 1041 CA LEU A 72 11.423 -1.792 5.106 1.00 0.00 C ATOM 1042 C LEU A 72 11.366 -0.802 3.946 1.00 0.00 C ATOM 1043 O LEU A 72 12.343 -0.626 3.218 1.00 0.00 O ATOM 1044 CB LEU A 72 10.810 -3.128 4.682 1.00 0.00 C ATOM 1045 CG LEU A 72 9.709 -3.056 3.623 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.294 -2.689 2.268 1.00 0.00 C ATOM 1047 CD2 LEU A 72 8.959 -4.377 3.543 1.00 0.00 C ATOM 0 H LEU A 72 9.926 -1.822 6.574 1.00 0.00 H new ATOM 0 HA LEU A 72 12.468 -1.948 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.608 -3.767 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.403 -3.615 5.568 1.00 0.00 H new ATOM 0 HG LEU A 72 9.003 -2.278 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.496 -2.643 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.784 -1.718 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.022 -3.443 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.179 -4.307 2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.653 -5.174 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.506 -4.597 4.510 1.00 0.00 H new ATOM 1059 N LEU A 73 10.216 -0.158 3.781 1.00 0.00 N ATOM 1060 CA LEU A 73 10.031 0.817 2.712 1.00 0.00 C ATOM 1061 C LEU A 73 10.910 2.043 2.935 1.00 0.00 C ATOM 1062 O LEU A 73 11.536 2.548 2.003 1.00 0.00 O ATOM 1063 CB LEU A 73 8.563 1.236 2.625 1.00 0.00 C ATOM 1064 CG LEU A 73 7.608 0.212 2.011 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.195 0.418 2.535 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.633 0.302 0.492 1.00 0.00 C ATOM 0 H LEU A 73 9.397 -0.293 4.374 1.00 0.00 H new ATOM 0 HA LEU A 73 10.324 0.349 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.213 1.472 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.502 2.155 2.042 1.00 0.00 H new ATOM 0 HG LEU A 73 7.940 -0.785 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.530 -0.320 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.188 0.302 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.853 1.420 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.947 -0.434 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.327 1.301 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.643 0.104 0.132 1.00 0.00 H new ATOM 1078 N ARG A 74 10.953 2.516 4.176 1.00 0.00 N ATOM 1079 CA ARG A 74 11.755 3.683 4.522 1.00 0.00 C ATOM 1080 C ARG A 74 13.121 3.624 3.843 1.00 0.00 C ATOM 1081 O ARG A 74 13.505 4.543 3.121 1.00 0.00 O ATOM 1082 CB ARG A 74 11.932 3.775 6.039 1.00 0.00 C ATOM 1083 CG ARG A 74 12.713 5.000 6.488 1.00 0.00 C ATOM 1084 CD ARG A 74 12.786 5.089 8.004 1.00 0.00 C ATOM 1085 NE ARG A 74 13.929 5.881 8.451 1.00 0.00 N ATOM 1086 CZ ARG A 74 15.177 5.427 8.465 1.00 0.00 C ATOM 1087 NH1 ARG A 74 15.442 4.193 8.060 1.00 0.00 N ATOM 1088 NH2 ARG A 74 16.164 6.208 8.886 1.00 0.00 N ATOM 0 H ARG A 74 10.442 2.109 4.959 1.00 0.00 H new ATOM 0 HA ARG A 74 11.230 4.571 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.949 3.788 6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.443 2.879 6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.721 4.961 6.076 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.241 5.899 6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.866 5.532 8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.854 4.085 8.423 1.00 0.00 H new ATOM 0 HE ARG A 74 13.759 6.835 8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.686 3.589 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.402 3.847 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.964 7.158 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.122 5.858 8.896 1.00 0.00 H new ATOM 1102 N ASN A 75 13.848 2.537 4.080 1.00 0.00 N ATOM 1103 CA ASN A 75 15.171 2.359 3.492 1.00 0.00 C ATOM 1104 C ASN A 75 15.076 2.204 1.977 1.00 0.00 C ATOM 1105 O ASN A 75 15.856 2.797 1.233 1.00 0.00 O ATOM 1106 CB ASN A 75 15.861 1.136 4.099 1.00 0.00 C ATOM 1107 CG ASN A 75 16.471 1.431 5.456 1.00 0.00 C ATOM 1108 OD1 ASN A 75 17.016 2.512 5.683 1.00 0.00 O ATOM 1109 ND2 ASN A 75 16.382 0.468 6.366 1.00 0.00 N ATOM 0 H ASN A 75 13.544 1.766 4.675 1.00 0.00 H new ATOM 0 HA ASN A 75 15.762 3.248 3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.139 0.326 4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.640 0.788 3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.774 0.608 7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.921 -0.412 6.134 1.00 0.00 H new ATOM 1116 N ALA A 76 14.115 1.404 1.529 1.00 0.00 N ATOM 1117 CA ALA A 76 13.916 1.172 0.103 1.00 0.00 C ATOM 1118 C ALA A 76 14.057 2.468 -0.688 1.00 0.00 C ATOM 1119 O ALA A 76 13.364 3.449 -0.420 1.00 0.00 O ATOM 1120 CB ALA A 76 12.552 0.546 -0.145 1.00 0.00 C ATOM 0 H ALA A 76 13.461 0.905 2.133 1.00 0.00 H new ATOM 0 HA ALA A 76 14.687 0.482 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.417 0.379 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.487 -0.406 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.773 1.216 0.218 1.00 0.00 H new ATOM 1126 N SER A 77 14.960 2.466 -1.663 1.00 0.00 N ATOM 1127 CA SER A 77 15.196 3.643 -2.490 1.00 0.00 C ATOM 1128 C SER A 77 15.249 3.267 -3.968 1.00 0.00 C ATOM 1129 O SER A 77 15.148 2.094 -4.326 1.00 0.00 O ATOM 1130 CB SER A 77 16.500 4.329 -2.080 1.00 0.00 C ATOM 1131 OG SER A 77 16.619 5.604 -2.686 1.00 0.00 O ATOM 0 H SER A 77 15.541 1.661 -1.900 1.00 0.00 H new ATOM 0 HA SER A 77 14.367 4.334 -2.338 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.534 4.434 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.348 3.706 -2.367 1.00 0.00 H new ATOM 0 HG SER A 77 17.547 5.747 -2.968 1.00 0.00 H new ATOM 1137 N GLY A 78 15.409 4.273 -4.823 1.00 0.00 N ATOM 1138 CA GLY A 78 15.473 4.028 -6.252 1.00 0.00 C ATOM 1139 C GLY A 78 14.210 3.383 -6.787 1.00 0.00 C ATOM 1140 O GLY A 78 13.107 3.701 -6.345 1.00 0.00 O ATOM 0 H GLY A 78 15.495 5.252 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.644 4.971 -6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.326 3.385 -6.469 1.00 0.00 H new ATOM 1144 N SER A 79 14.372 2.474 -7.743 1.00 0.00 N ATOM 1145 CA SER A 79 13.235 1.785 -8.343 1.00 0.00 C ATOM 1146 C SER A 79 12.641 0.769 -7.373 1.00 0.00 C ATOM 1147 O SER A 79 13.311 -0.178 -6.961 1.00 0.00 O ATOM 1148 CB SER A 79 13.659 1.086 -9.636 1.00 0.00 C ATOM 1149 OG SER A 79 14.457 -0.052 -9.362 1.00 0.00 O ATOM 0 H SER A 79 15.279 2.197 -8.119 1.00 0.00 H new ATOM 0 HA SER A 79 12.472 2.529 -8.574 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.774 0.787 -10.198 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.216 1.782 -10.264 1.00 0.00 H new ATOM 0 HG SER A 79 14.319 -0.332 -8.433 1.00 0.00 H new ATOM 1155 N VAL A 80 11.378 0.972 -7.012 1.00 0.00 N ATOM 1156 CA VAL A 80 10.692 0.073 -6.091 1.00 0.00 C ATOM 1157 C VAL A 80 9.348 -0.371 -6.657 1.00 0.00 C ATOM 1158 O VAL A 80 8.591 0.438 -7.194 1.00 0.00 O ATOM 1159 CB VAL A 80 10.465 0.740 -4.721 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.777 -0.223 -3.766 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.785 1.227 -4.142 1.00 0.00 C ATOM 0 H VAL A 80 10.809 1.751 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 80 11.334 -0.798 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 80 9.814 1.603 -4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.625 0.266 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.813 -0.519 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.400 -1.107 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.607 1.696 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.461 0.381 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.234 1.953 -4.820 1.00 0.00 H new ATOM 1171 N ILE A 81 9.057 -1.662 -6.532 1.00 0.00 N ATOM 1172 CA ILE A 81 7.803 -2.214 -7.029 1.00 0.00 C ATOM 1173 C ILE A 81 6.936 -2.725 -5.884 1.00 0.00 C ATOM 1174 O ILE A 81 7.395 -3.494 -5.037 1.00 0.00 O ATOM 1175 CB ILE A 81 8.049 -3.363 -8.024 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.716 -2.833 -9.295 1.00 0.00 C ATOM 1177 CG2 ILE A 81 6.741 -4.063 -8.359 1.00 0.00 C ATOM 1178 CD1 ILE A 81 7.888 -1.799 -10.025 1.00 0.00 C ATOM 0 H ILE A 81 9.673 -2.345 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 81 7.283 -1.405 -7.542 1.00 0.00 H new ATOM 0 HB ILE A 81 8.718 -4.088 -7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.680 -2.397 -9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.915 -3.668 -9.967 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.932 -4.873 -9.063 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.303 -4.470 -7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.050 -3.348 -8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.422 -1.468 -10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.933 -2.237 -10.316 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.711 -0.946 -9.370 1.00 0.00 H new ATOM 1190 N LEU A 82 5.679 -2.295 -5.864 1.00 0.00 N ATOM 1191 CA LEU A 82 4.744 -2.711 -4.824 1.00 0.00 C ATOM 1192 C LEU A 82 3.665 -3.625 -5.395 1.00 0.00 C ATOM 1193 O LEU A 82 2.812 -3.188 -6.168 1.00 0.00 O ATOM 1194 CB LEU A 82 4.100 -1.487 -4.171 1.00 0.00 C ATOM 1195 CG LEU A 82 4.981 -0.704 -3.197 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.341 0.632 -2.854 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.234 -1.516 -1.935 1.00 0.00 C ATOM 0 H LEU A 82 5.284 -1.658 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 82 5.301 -3.266 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.774 -0.809 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.206 -1.812 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 82 5.939 -0.511 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.982 1.175 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.213 1.218 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.369 0.462 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.863 -0.943 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.284 -1.740 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.737 -2.447 -2.196 1.00 0.00 H new ATOM 1209 N LYS A 83 3.706 -4.895 -5.007 1.00 0.00 N ATOM 1210 CA LYS A 83 2.729 -5.870 -5.477 1.00 0.00 C ATOM 1211 C LYS A 83 1.483 -5.860 -4.597 1.00 0.00 C ATOM 1212 O LYS A 83 1.573 -5.994 -3.376 1.00 0.00 O ATOM 1213 CB LYS A 83 3.345 -7.272 -5.491 1.00 0.00 C ATOM 1214 CG LYS A 83 2.771 -8.177 -6.568 1.00 0.00 C ATOM 1215 CD LYS A 83 3.637 -9.406 -6.782 1.00 0.00 C ATOM 1216 CE LYS A 83 3.188 -10.199 -8.000 1.00 0.00 C ATOM 1217 NZ LYS A 83 4.116 -11.323 -8.304 1.00 0.00 N ATOM 0 H LYS A 83 4.405 -5.273 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 83 2.438 -5.596 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.422 -7.185 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.191 -7.737 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.764 -8.485 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.686 -7.623 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.676 -9.103 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.594 -10.041 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.186 -10.592 -7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.127 -9.536 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.854 -11.754 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.090 -10.963 -8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.053 -12.038 -7.552 1.00 0.00 H new ATOM 1231 N ILE A 84 0.323 -5.702 -5.225 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.941 -5.677 -4.498 1.00 0.00 C ATOM 1233 C ILE A 84 -1.864 -6.798 -4.964 1.00 0.00 C ATOM 1234 O ILE A 84 -1.730 -7.306 -6.078 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.663 -4.328 -4.670 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.644 -3.193 -4.801 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.598 -4.075 -3.498 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.044 -2.846 -3.500 1.00 0.00 C ATOM 0 H ILE A 84 0.232 -5.589 -6.235 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.702 -5.820 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.258 -4.364 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.109 -3.475 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.148 -2.306 -5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.101 -3.118 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.341 -4.871 -3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.023 -4.055 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.752 -2.034 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.700 -2.533 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.577 -3.720 -3.126 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.803 -7.179 -4.104 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.752 -8.239 -4.427 1.00 0.00 C ATOM 1252 C LEU A 85 -5.160 -7.865 -3.975 1.00 0.00 C ATOM 1253 O LEU A 85 -5.337 -7.045 -3.075 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.324 -9.551 -3.769 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.390 -10.441 -4.590 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -2.302 -11.831 -3.979 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.863 -10.520 -6.035 1.00 0.00 C ATOM 0 H LEU A 85 -2.927 -6.770 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.760 -8.369 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.833 -9.317 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.220 -10.123 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.394 -9.998 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.633 -12.450 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.916 -11.758 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.294 -12.283 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.187 -11.157 -6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.869 -10.939 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.872 -9.521 -6.470 1.00 0.00 H new ATOM 1269 N SER A 86 -6.159 -8.475 -4.606 1.00 0.00 N ATOM 1270 CA SER A 86 -7.552 -8.205 -4.269 1.00 0.00 C ATOM 1271 C SER A 86 -8.039 -9.149 -3.174 1.00 0.00 C ATOM 1272 O SER A 86 -7.438 -10.193 -2.926 1.00 0.00 O ATOM 1273 CB SER A 86 -8.435 -8.348 -5.511 1.00 0.00 C ATOM 1274 OG SER A 86 -8.702 -9.711 -5.793 1.00 0.00 O ATOM 0 H SER A 86 -6.030 -9.158 -5.352 1.00 0.00 H new ATOM 0 HA SER A 86 -7.619 -7.182 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.373 -7.815 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.942 -7.886 -6.367 1.00 0.00 H new ATOM 0 HG SER A 86 -9.269 -9.775 -6.590 1.00 0.00 H new ATOM 1280 N GLY A 87 -9.134 -8.772 -2.520 1.00 0.00 N ATOM 1281 CA GLY A 87 -9.684 -9.595 -1.459 1.00 0.00 C ATOM 1282 C GLY A 87 -10.948 -9.005 -0.864 1.00 0.00 C ATOM 1283 O GLY A 87 -11.686 -8.273 -1.523 1.00 0.00 O ATOM 0 H GLY A 87 -9.649 -7.912 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.900 -10.590 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.938 -9.716 -0.673 1.00 0.00 H new ATOM 1287 N PRO A 88 -11.213 -9.327 0.411 1.00 0.00 N ATOM 1288 CA PRO A 88 -12.397 -8.836 1.122 1.00 0.00 C ATOM 1289 C PRO A 88 -12.319 -7.341 1.413 1.00 0.00 C ATOM 1290 O PRO A 88 -11.495 -6.896 2.211 1.00 0.00 O ATOM 1291 CB PRO A 88 -12.384 -9.636 2.427 1.00 0.00 C ATOM 1292 CG PRO A 88 -10.956 -10.005 2.631 1.00 0.00 C ATOM 1293 CD PRO A 88 -10.376 -10.195 1.257 1.00 0.00 C ATOM 0 HA PRO A 88 -13.307 -8.965 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.762 -9.042 3.259 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -13.015 -10.522 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.425 -9.223 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.869 -10.918 3.221 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.327 -9.902 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.428 -11.236 0.939 1.00 0.00 H new ATOM 1301 N SER A 89 -13.183 -6.570 0.760 1.00 0.00 N ATOM 1302 CA SER A 89 -13.210 -5.124 0.946 1.00 0.00 C ATOM 1303 C SER A 89 -14.631 -4.637 1.215 1.00 0.00 C ATOM 1304 O SER A 89 -15.556 -4.940 0.461 1.00 0.00 O ATOM 1305 CB SER A 89 -12.642 -4.419 -0.287 1.00 0.00 C ATOM 1306 OG SER A 89 -13.445 -4.661 -1.429 1.00 0.00 O ATOM 0 H SER A 89 -13.874 -6.923 0.097 1.00 0.00 H new ATOM 0 HA SER A 89 -12.592 -4.882 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.583 -3.347 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.626 -4.767 -0.473 1.00 0.00 H new ATOM 0 HG SER A 89 -14.338 -4.950 -1.146 1.00 0.00 H new ATOM 1312 N SER A 90 -14.796 -3.881 2.295 1.00 0.00 N ATOM 1313 CA SER A 90 -16.104 -3.354 2.667 1.00 0.00 C ATOM 1314 C SER A 90 -16.407 -2.066 1.907 1.00 0.00 C ATOM 1315 O SER A 90 -15.769 -1.038 2.127 1.00 0.00 O ATOM 1316 CB SER A 90 -16.165 -3.097 4.174 1.00 0.00 C ATOM 1317 OG SER A 90 -17.325 -2.362 4.520 1.00 0.00 O ATOM 0 H SER A 90 -14.040 -3.619 2.928 1.00 0.00 H new ATOM 0 HA SER A 90 -16.856 -4.097 2.402 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.160 -4.047 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.277 -2.549 4.489 1.00 0.00 H new ATOM 0 HG SER A 90 -17.341 -2.212 5.488 1.00 0.00 H new ATOM 1323 N GLY A 91 -17.387 -2.132 1.011 1.00 0.00 N ATOM 1324 CA GLY A 91 -17.759 -0.965 0.232 1.00 0.00 C ATOM 1325 C GLY A 91 -17.484 -1.145 -1.248 1.00 0.00 C ATOM 1326 O GLY A 91 -16.342 -1.362 -1.652 1.00 0.00 O ATOM 0 H GLY A 91 -17.930 -2.972 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -18.819 -0.756 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -17.210 -0.097 0.598 1.00 0.00 H new TER 1330 GLY A 91