USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 772 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 57 THR OG1 : rot -143:sc= 0.971 USER MOD Set 1.2: A 81 ASN :FLIP amide:sc= -5.6! C(o=-7.2!,f=-4.6!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -19! C(o=-18!,f=-34!) USER MOD Set 2.2: A 51 TYR OH : rot -7:sc= 0.513! USER MOD Set 3.1: A 7 SER OG : rot -76:sc= 0.298 USER MOD Set 3.2: A 8 HIS : no HD1:sc= -0.0714! C(o=0.23!,f=-6.6!) USER MOD Single : A 1 SER N :NH3+ -126:sc= 0.754 (180deg=0) USER MOD Single : A 1 SER OG : rot 150:sc= -1.7! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 90:sc= -7.99! USER MOD Single : A 11 THR OG1 : rot -165:sc= -3.71! USER MOD Single : A 14 GLN : amide:sc= -0.501 K(o=-0.5,f=-1.3) USER MOD Single : A 22 SER OG : rot 180:sc= -2.46! USER MOD Single : A 24 MET CE :methyl -143:sc= -0.731 (180deg=-3.25!) USER MOD Single : A 25 GLN : amide:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -11.3! C(o=-11!,f=-11!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 71:sc= 0.236 USER MOD Single : A 44 SER OG : rot -35:sc= -0.17! USER MOD Single : A 47 THR OG1 : rot -43:sc= -4.93! USER MOD Single : A 53 ASN : amide:sc= -1.54 K(o=-1.5,f=-3!) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.263 (180deg=-1.01) USER MOD Single : A 64 ASN : amide:sc= -0.444 K(o=-0.44,f=-1.3) USER MOD Single : A 70 MET CE :methyl 174:sc= 0 (180deg=-0.0671) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 51:sc= -1.97 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -111:sc= 0.186! USER MOD Single : A 85 CYS SG : rot 180:sc= -2.28! USER MOD Single : A 87 GLN : amide:sc= -11.6! C(o=-12!,f=-16!) USER MOD Single : A 90 MET CE :methyl -156:sc= -12.8! (180deg=-13.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0748 USER MOD Single : A 105 GLN :FLIP amide:sc= 1.02 F(o=-0.58,f=1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.061 17.125 16.760 1.00 0.00 N ATOM 2 CA SER A 1 14.667 17.324 16.271 1.00 0.00 C ATOM 3 C SER A 1 14.497 18.761 15.779 1.00 0.00 C ATOM 4 O SER A 1 15.364 19.595 15.953 1.00 0.00 O ATOM 5 CB SER A 1 13.683 17.059 17.410 1.00 0.00 C ATOM 6 OG SER A 1 14.407 16.826 18.611 1.00 0.00 O ATOM 0 H1 SER A 1 16.485 16.308 16.276 1.00 0.00 H new ATOM 0 H2 SER A 1 16.624 17.977 16.561 1.00 0.00 H new ATOM 0 H3 SER A 1 16.048 16.951 17.785 1.00 0.00 H new ATOM 0 HA SER A 1 14.470 16.633 15.451 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.015 17.911 17.534 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.060 16.196 17.174 1.00 0.00 H new ATOM 0 HG SER A 1 13.874 17.125 19.377 1.00 0.00 H new ATOM 14 N LYS A 2 13.384 19.058 15.168 1.00 0.00 N ATOM 15 CA LYS A 2 13.154 20.441 14.667 1.00 0.00 C ATOM 16 C LYS A 2 11.702 20.834 14.932 1.00 0.00 C ATOM 17 O LYS A 2 10.855 19.995 15.167 1.00 0.00 O ATOM 18 CB LYS A 2 13.429 20.492 13.163 1.00 0.00 C ATOM 19 CG LYS A 2 14.303 21.706 12.843 1.00 0.00 C ATOM 20 CD LYS A 2 14.498 21.811 11.330 1.00 0.00 C ATOM 21 CE LYS A 2 15.843 22.478 11.033 1.00 0.00 C ATOM 22 NZ LYS A 2 15.630 23.928 10.764 1.00 0.00 N ATOM 0 H LYS A 2 12.623 18.402 14.994 1.00 0.00 H new ATOM 0 HA LYS A 2 13.822 21.133 15.180 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.928 19.577 12.843 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.490 20.552 12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.836 22.614 13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.269 21.613 13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.464 20.819 10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.687 22.390 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.519 22.350 11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.314 22.003 10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.544 24.382 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.999 24.040 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.198 24.376 11.597 1.00 0.00 H new ATOM 36 N VAL A 3 11.408 22.102 14.905 1.00 0.00 N ATOM 37 CA VAL A 3 10.015 22.544 15.164 1.00 0.00 C ATOM 38 C VAL A 3 9.739 23.847 14.410 1.00 0.00 C ATOM 39 O VAL A 3 10.468 24.808 14.524 1.00 0.00 O ATOM 40 CB VAL A 3 9.835 22.741 16.677 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.920 23.937 16.972 1.00 0.00 C ATOM 42 CG2 VAL A 3 9.217 21.475 17.258 1.00 0.00 C ATOM 0 H VAL A 3 12.074 22.851 14.714 1.00 0.00 H new ATOM 0 HA VAL A 3 9.308 21.792 14.814 1.00 0.00 H new ATOM 0 HB VAL A 3 10.807 22.938 17.129 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.810 24.054 18.050 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.358 24.842 16.552 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.941 23.766 16.524 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.082 21.596 18.333 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.250 21.294 16.789 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.877 20.628 17.069 1.00 0.00 H new ATOM 52 N VAL A 4 8.678 23.887 13.660 1.00 0.00 N ATOM 53 CA VAL A 4 8.338 25.130 12.915 1.00 0.00 C ATOM 54 C VAL A 4 6.862 25.447 13.143 1.00 0.00 C ATOM 55 O VAL A 4 6.114 24.613 13.602 1.00 0.00 O ATOM 56 CB VAL A 4 8.599 24.926 11.422 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.349 26.238 10.675 1.00 0.00 C ATOM 58 CG2 VAL A 4 10.052 24.492 11.214 1.00 0.00 C ATOM 0 H VAL A 4 8.029 23.111 13.529 1.00 0.00 H new ATOM 0 HA VAL A 4 8.954 25.956 13.269 1.00 0.00 H new ATOM 0 HB VAL A 4 7.929 24.156 11.039 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.535 26.092 9.611 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.315 26.550 10.823 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.018 27.008 11.058 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.239 24.346 10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.720 25.263 11.598 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.232 23.558 11.746 1.00 0.00 H new ATOM 68 N TYR A 5 6.432 26.642 12.841 1.00 0.00 N ATOM 69 CA TYR A 5 4.997 26.981 13.064 1.00 0.00 C ATOM 70 C TYR A 5 4.461 27.777 11.878 1.00 0.00 C ATOM 71 O TYR A 5 5.202 28.384 11.131 1.00 0.00 O ATOM 72 CB TYR A 5 4.828 27.838 14.327 1.00 0.00 C ATOM 73 CG TYR A 5 5.651 27.295 15.473 1.00 0.00 C ATOM 74 CD1 TYR A 5 7.041 27.175 15.358 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.017 26.928 16.666 1.00 0.00 C ATOM 76 CE1 TYR A 5 7.790 26.684 16.428 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.771 26.440 17.738 1.00 0.00 C ATOM 78 CZ TYR A 5 7.157 26.315 17.618 1.00 0.00 C ATOM 79 OH TYR A 5 7.902 25.840 18.678 1.00 0.00 O ATOM 0 H TYR A 5 7.005 27.391 12.453 1.00 0.00 H new ATOM 0 HA TYR A 5 4.448 26.046 13.179 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.128 28.864 14.115 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.776 27.865 14.613 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.534 27.463 14.441 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.945 27.022 16.759 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.862 26.589 16.336 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.281 26.160 18.659 1.00 0.00 H new ATOM 0 HH TYR A 5 8.176 26.589 19.247 1.00 0.00 H new ATOM 89 N VAL A 6 3.169 27.794 11.721 1.00 0.00 N ATOM 90 CA VAL A 6 2.560 28.567 10.606 1.00 0.00 C ATOM 91 C VAL A 6 1.429 29.422 11.154 1.00 0.00 C ATOM 92 O VAL A 6 0.623 28.968 11.940 1.00 0.00 O ATOM 93 CB VAL A 6 1.975 27.622 9.562 1.00 0.00 C ATOM 94 CG1 VAL A 6 1.718 28.400 8.268 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.953 26.481 9.302 1.00 0.00 C ATOM 0 H VAL A 6 2.505 27.303 12.320 1.00 0.00 H new ATOM 0 HA VAL A 6 3.331 29.187 10.149 1.00 0.00 H new ATOM 0 HB VAL A 6 1.035 27.206 9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.300 27.730 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.015 29.210 8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.656 28.815 7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.534 25.806 8.556 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.896 26.887 8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.128 25.934 10.228 1.00 0.00 H new ATOM 105 N SER A 7 1.335 30.643 10.726 1.00 0.00 N ATOM 106 CA SER A 7 0.233 31.492 11.202 1.00 0.00 C ATOM 107 C SER A 7 -0.901 31.363 10.199 1.00 0.00 C ATOM 108 O SER A 7 -0.742 30.787 9.141 1.00 0.00 O ATOM 109 CB SER A 7 0.690 32.948 11.284 1.00 0.00 C ATOM 110 OG SER A 7 -0.366 33.743 11.807 1.00 0.00 O ATOM 0 H SER A 7 1.976 31.085 10.067 1.00 0.00 H new ATOM 0 HA SER A 7 -0.090 31.182 12.196 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.571 33.029 11.920 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.976 33.308 10.296 1.00 0.00 H new ATOM 0 HG SER A 7 -1.042 33.887 11.112 1.00 0.00 H new ATOM 116 N HIS A 8 -2.039 31.888 10.506 1.00 0.00 N ATOM 117 CA HIS A 8 -3.169 31.787 9.542 1.00 0.00 C ATOM 118 C HIS A 8 -2.841 32.616 8.293 1.00 0.00 C ATOM 119 O HIS A 8 -3.568 32.598 7.320 1.00 0.00 O ATOM 120 CB HIS A 8 -4.474 32.291 10.173 1.00 0.00 C ATOM 121 CG HIS A 8 -4.214 33.456 11.087 1.00 0.00 C ATOM 122 ND1 HIS A 8 -3.062 34.219 11.009 1.00 0.00 N ATOM 123 CD2 HIS A 8 -4.962 34.009 12.097 1.00 0.00 C ATOM 124 CE1 HIS A 8 -3.147 35.181 11.946 1.00 0.00 C ATOM 125 NE2 HIS A 8 -4.287 35.099 12.638 1.00 0.00 N ATOM 0 H HIS A 8 -2.244 32.382 11.375 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.306 30.741 9.269 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.171 32.587 9.389 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.948 31.484 10.732 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.928 33.652 12.422 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.386 35.928 12.118 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.596 35.705 13.399 1.00 0.00 H new ATOM 133 N ASP A 9 -1.751 33.343 8.311 1.00 0.00 N ATOM 134 CA ASP A 9 -1.384 34.165 7.124 1.00 0.00 C ATOM 135 C ASP A 9 -0.142 33.580 6.437 1.00 0.00 C ATOM 136 O ASP A 9 0.290 34.066 5.410 1.00 0.00 O ATOM 137 CB ASP A 9 -1.089 35.599 7.570 1.00 0.00 C ATOM 138 CG ASP A 9 -1.918 36.575 6.734 1.00 0.00 C ATOM 139 OD1 ASP A 9 -3.117 36.638 6.949 1.00 0.00 O ATOM 140 OD2 ASP A 9 -1.340 37.243 5.893 1.00 0.00 O ATOM 0 H ASP A 9 -1.103 33.401 9.096 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.215 34.160 6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.325 35.718 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.027 35.816 7.454 1.00 0.00 H new ATOM 145 N GLY A 10 0.434 32.541 6.982 1.00 0.00 N ATOM 146 CA GLY A 10 1.639 31.939 6.341 1.00 0.00 C ATOM 147 C GLY A 10 2.901 32.320 7.123 1.00 0.00 C ATOM 148 O GLY A 10 4.004 32.207 6.626 1.00 0.00 O ATOM 0 H GLY A 10 0.123 32.085 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.538 30.854 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.723 32.285 5.311 1.00 0.00 H new ATOM 152 N THR A 11 2.754 32.766 8.342 1.00 0.00 N ATOM 153 CA THR A 11 3.951 33.143 9.143 1.00 0.00 C ATOM 154 C THR A 11 4.969 32.009 9.083 1.00 0.00 C ATOM 155 O THR A 11 4.744 30.926 9.586 1.00 0.00 O ATOM 156 CB THR A 11 3.547 33.385 10.597 1.00 0.00 C ATOM 157 OG1 THR A 11 2.653 34.487 10.662 1.00 0.00 O ATOM 158 CG2 THR A 11 4.794 33.687 11.430 1.00 0.00 C ATOM 0 H THR A 11 1.858 32.885 8.815 1.00 0.00 H new ATOM 0 HA THR A 11 4.387 34.055 8.736 1.00 0.00 H new ATOM 0 HB THR A 11 3.056 32.495 10.991 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.579 34.794 11.590 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.506 33.860 12.467 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.479 32.841 11.380 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.287 34.576 11.038 1.00 0.00 H new ATOM 166 N ARG A 12 6.080 32.250 8.459 1.00 0.00 N ATOM 167 CA ARG A 12 7.120 31.188 8.344 1.00 0.00 C ATOM 168 C ARG A 12 8.248 31.436 9.352 1.00 0.00 C ATOM 169 O ARG A 12 9.079 32.304 9.171 1.00 0.00 O ATOM 170 CB ARG A 12 7.697 31.196 6.927 1.00 0.00 C ATOM 171 CG ARG A 12 7.724 29.768 6.379 1.00 0.00 C ATOM 172 CD ARG A 12 7.635 29.805 4.852 1.00 0.00 C ATOM 173 NE ARG A 12 8.980 29.534 4.269 1.00 0.00 N ATOM 174 CZ ARG A 12 9.097 29.223 3.006 1.00 0.00 C ATOM 175 NH1 ARG A 12 8.036 29.149 2.247 1.00 0.00 N ATOM 176 NH2 ARG A 12 10.276 28.987 2.501 1.00 0.00 N ATOM 0 H ARG A 12 6.319 33.139 8.020 1.00 0.00 H new ATOM 0 HA ARG A 12 6.663 30.221 8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.094 31.833 6.281 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.704 31.613 6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.641 29.266 6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.893 29.194 6.788 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.918 29.063 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.273 30.779 4.522 1.00 0.00 H new ATOM 0 HE ARG A 12 9.811 29.592 4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.113 29.334 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.130 28.906 1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.105 29.045 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.369 28.744 1.515 1.00 0.00 H new ATOM 190 N ARG A 13 8.293 30.661 10.402 1.00 0.00 N ATOM 191 CA ARG A 13 9.375 30.824 11.416 1.00 0.00 C ATOM 192 C ARG A 13 9.679 29.451 12.016 1.00 0.00 C ATOM 193 O ARG A 13 8.782 28.701 12.348 1.00 0.00 O ATOM 194 CB ARG A 13 8.922 31.786 12.518 1.00 0.00 C ATOM 195 CG ARG A 13 9.930 31.752 13.670 1.00 0.00 C ATOM 196 CD ARG A 13 9.440 32.647 14.812 1.00 0.00 C ATOM 197 NE ARG A 13 8.898 33.919 14.256 1.00 0.00 N ATOM 198 CZ ARG A 13 8.164 34.701 15.002 1.00 0.00 C ATOM 199 NH1 ARG A 13 7.931 34.391 16.249 1.00 0.00 N ATOM 200 NH2 ARG A 13 7.670 35.801 14.503 1.00 0.00 N ATOM 0 H ARG A 13 7.623 29.918 10.602 1.00 0.00 H new ATOM 0 HA ARG A 13 10.268 31.236 10.946 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.841 32.798 12.121 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.932 31.504 12.878 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.056 30.729 14.025 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.906 32.091 13.322 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.669 32.132 15.386 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.260 32.859 15.498 1.00 0.00 H new ATOM 0 HE ARG A 13 9.101 34.180 13.291 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.323 33.536 16.644 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.357 35.004 16.828 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.857 36.049 13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.097 36.412 15.084 1.00 0.00 H new ATOM 214 N GLN A 14 10.929 29.098 12.136 1.00 0.00 N ATOM 215 CA GLN A 14 11.259 27.755 12.688 1.00 0.00 C ATOM 216 C GLN A 14 12.102 27.877 13.959 1.00 0.00 C ATOM 217 O GLN A 14 12.443 28.956 14.403 1.00 0.00 O ATOM 218 CB GLN A 14 12.042 26.959 11.641 1.00 0.00 C ATOM 219 CG GLN A 14 11.534 27.315 10.243 1.00 0.00 C ATOM 220 CD GLN A 14 12.438 28.384 9.626 1.00 0.00 C ATOM 221 OE1 GLN A 14 13.645 28.322 9.755 1.00 0.00 O ATOM 222 NE2 GLN A 14 11.902 29.368 8.958 1.00 0.00 N ATOM 0 H GLN A 14 11.729 29.676 11.878 1.00 0.00 H new ATOM 0 HA GLN A 14 10.329 27.244 12.936 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.106 27.182 11.720 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.926 25.890 11.820 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.522 26.426 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.508 27.680 10.300 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.889 29.419 8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.496 30.086 8.543 1.00 0.00 H new ATOM 231 N LEU A 15 12.439 26.757 14.535 1.00 0.00 N ATOM 232 CA LEU A 15 13.266 26.743 15.776 1.00 0.00 C ATOM 233 C LEU A 15 13.572 25.298 16.150 1.00 0.00 C ATOM 234 O LEU A 15 13.227 24.372 15.444 1.00 0.00 O ATOM 235 CB LEU A 15 12.517 27.412 16.932 1.00 0.00 C ATOM 236 CG LEU A 15 11.032 27.083 16.858 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.572 26.501 18.196 1.00 0.00 C ATOM 238 CD2 LEU A 15 10.250 28.363 16.568 1.00 0.00 C ATOM 0 H LEU A 15 12.172 25.834 14.193 1.00 0.00 H new ATOM 0 HA LEU A 15 14.189 27.293 15.592 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.925 27.072 17.884 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.660 28.492 16.891 1.00 0.00 H new ATOM 0 HG LEU A 15 10.856 26.355 16.066 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.509 26.265 18.144 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.135 25.593 18.411 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.744 27.230 18.988 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.186 28.135 16.514 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.426 29.085 17.365 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.580 28.784 15.618 1.00 0.00 H new ATOM 250 N ASP A 16 14.220 25.103 17.256 1.00 0.00 N ATOM 251 CA ASP A 16 14.559 23.717 17.690 1.00 0.00 C ATOM 252 C ASP A 16 14.071 23.496 19.124 1.00 0.00 C ATOM 253 O ASP A 16 14.707 23.903 20.075 1.00 0.00 O ATOM 254 CB ASP A 16 16.076 23.524 17.634 1.00 0.00 C ATOM 255 CG ASP A 16 16.478 23.042 16.238 1.00 0.00 C ATOM 256 OD1 ASP A 16 16.519 23.864 15.338 1.00 0.00 O ATOM 257 OD2 ASP A 16 16.738 21.859 16.094 1.00 0.00 O ATOM 0 H ASP A 16 14.533 25.843 17.884 1.00 0.00 H new ATOM 0 HA ASP A 16 14.075 23.000 17.027 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.581 24.461 17.866 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.389 22.799 18.385 1.00 0.00 H new ATOM 262 N VAL A 17 12.947 22.851 19.288 1.00 0.00 N ATOM 263 CA VAL A 17 12.424 22.604 20.662 1.00 0.00 C ATOM 264 C VAL A 17 13.378 21.668 21.407 1.00 0.00 C ATOM 265 O VAL A 17 13.459 20.491 21.117 1.00 0.00 O ATOM 266 CB VAL A 17 11.039 21.958 20.574 1.00 0.00 C ATOM 267 CG1 VAL A 17 10.647 21.394 21.942 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.018 23.013 20.150 1.00 0.00 C ATOM 0 H VAL A 17 12.370 22.485 18.531 1.00 0.00 H new ATOM 0 HA VAL A 17 12.348 23.550 21.198 1.00 0.00 H new ATOM 0 HB VAL A 17 11.060 21.150 19.842 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.661 20.935 21.877 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.377 20.645 22.249 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.624 22.200 22.675 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.030 22.558 20.086 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.000 23.818 20.885 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.295 23.417 19.176 1.00 0.00 H new ATOM 278 N ALA A 18 14.098 22.178 22.368 1.00 0.00 N ATOM 279 CA ALA A 18 15.041 21.312 23.129 1.00 0.00 C ATOM 280 C ALA A 18 14.332 20.015 23.523 1.00 0.00 C ATOM 281 O ALA A 18 13.138 19.871 23.346 1.00 0.00 O ATOM 282 CB ALA A 18 15.502 22.045 24.391 1.00 0.00 C ATOM 0 H ALA A 18 14.074 23.155 22.659 1.00 0.00 H new ATOM 0 HA ALA A 18 15.906 21.081 22.508 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.192 21.411 24.948 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.005 22.971 24.111 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.638 22.276 25.014 1.00 0.00 H new ATOM 288 N ASP A 19 15.055 19.072 24.060 1.00 0.00 N ATOM 289 CA ASP A 19 14.424 17.793 24.467 1.00 0.00 C ATOM 290 C ASP A 19 13.780 17.967 25.837 1.00 0.00 C ATOM 291 O ASP A 19 14.413 18.370 26.793 1.00 0.00 O ATOM 292 CB ASP A 19 15.479 16.691 24.540 1.00 0.00 C ATOM 293 CG ASP A 19 16.060 16.445 23.146 1.00 0.00 C ATOM 294 OD1 ASP A 19 15.607 17.090 22.215 1.00 0.00 O ATOM 295 OD2 ASP A 19 16.947 15.615 23.033 1.00 0.00 O ATOM 0 H ASP A 19 16.058 19.135 24.234 1.00 0.00 H new ATOM 0 HA ASP A 19 13.667 17.515 23.733 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.272 16.978 25.230 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.035 15.774 24.927 1.00 0.00 H new ATOM 300 N GLY A 20 12.525 17.668 25.929 1.00 0.00 N ATOM 301 CA GLY A 20 11.810 17.810 27.229 1.00 0.00 C ATOM 302 C GLY A 20 11.259 19.231 27.355 1.00 0.00 C ATOM 303 O GLY A 20 11.315 19.839 28.405 1.00 0.00 O ATOM 0 H GLY A 20 11.952 17.328 25.157 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.997 17.087 27.290 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.489 17.597 28.055 1.00 0.00 H new ATOM 307 N VAL A 21 10.726 19.767 26.290 1.00 0.00 N ATOM 308 CA VAL A 21 10.172 21.149 26.347 1.00 0.00 C ATOM 309 C VAL A 21 8.799 21.174 25.676 1.00 0.00 C ATOM 310 O VAL A 21 8.450 20.290 24.922 1.00 0.00 O ATOM 311 CB VAL A 21 11.109 22.107 25.610 1.00 0.00 C ATOM 312 CG1 VAL A 21 10.931 23.524 26.158 1.00 0.00 C ATOM 313 CG2 VAL A 21 12.559 21.660 25.813 1.00 0.00 C ATOM 0 H VAL A 21 10.651 19.307 25.383 1.00 0.00 H new ATOM 0 HA VAL A 21 10.078 21.458 27.388 1.00 0.00 H new ATOM 0 HB VAL A 21 10.871 22.098 24.546 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.600 24.205 25.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.899 23.844 26.012 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.167 23.535 27.222 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.227 22.343 25.288 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.796 21.667 26.877 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.687 20.652 25.419 1.00 0.00 H new ATOM 323 N SER A 22 8.023 22.188 25.935 1.00 0.00 N ATOM 324 CA SER A 22 6.677 22.277 25.304 1.00 0.00 C ATOM 325 C SER A 22 6.762 23.196 24.088 1.00 0.00 C ATOM 326 O SER A 22 7.386 24.238 24.132 1.00 0.00 O ATOM 327 CB SER A 22 5.678 22.850 26.309 1.00 0.00 C ATOM 328 OG SER A 22 5.427 21.886 27.323 1.00 0.00 O ATOM 0 H SER A 22 8.263 22.960 26.557 1.00 0.00 H new ATOM 0 HA SER A 22 6.346 21.285 24.996 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.073 23.765 26.751 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.749 23.115 25.805 1.00 0.00 H new ATOM 0 HG SER A 22 4.788 22.251 27.970 1.00 0.00 H new ATOM 334 N LEU A 23 6.146 22.827 22.999 1.00 0.00 N ATOM 335 CA LEU A 23 6.207 23.698 21.795 1.00 0.00 C ATOM 336 C LEU A 23 5.930 25.139 22.221 1.00 0.00 C ATOM 337 O LEU A 23 6.376 26.081 21.596 1.00 0.00 O ATOM 338 CB LEU A 23 5.160 23.248 20.773 1.00 0.00 C ATOM 339 CG LEU A 23 5.832 22.398 19.691 1.00 0.00 C ATOM 340 CD1 LEU A 23 4.815 22.067 18.597 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.999 23.176 19.081 1.00 0.00 C ATOM 0 H LEU A 23 5.608 21.967 22.892 1.00 0.00 H new ATOM 0 HA LEU A 23 7.194 23.629 21.337 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.377 22.673 21.268 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.680 24.117 20.322 1.00 0.00 H new ATOM 0 HG LEU A 23 6.203 21.474 20.135 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.293 21.462 17.827 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.983 21.512 19.030 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.443 22.991 18.154 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.477 22.571 18.311 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.628 24.100 18.638 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.725 23.413 19.859 1.00 0.00 H new ATOM 353 N MET A 24 5.209 25.315 23.295 1.00 0.00 N ATOM 354 CA MET A 24 4.917 26.692 23.777 1.00 0.00 C ATOM 355 C MET A 24 6.190 27.273 24.393 1.00 0.00 C ATOM 356 O MET A 24 6.576 28.388 24.107 1.00 0.00 O ATOM 357 CB MET A 24 3.812 26.642 24.835 1.00 0.00 C ATOM 358 CG MET A 24 2.564 27.351 24.304 1.00 0.00 C ATOM 359 SD MET A 24 2.594 29.087 24.814 1.00 0.00 S ATOM 360 CE MET A 24 2.713 28.797 26.597 1.00 0.00 C ATOM 0 H MET A 24 4.810 24.564 23.858 1.00 0.00 H new ATOM 0 HA MET A 24 4.586 27.315 22.946 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.577 25.607 25.082 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.152 27.120 25.754 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.528 27.281 23.217 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.666 26.864 24.685 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.127 29.547 27.128 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.329 27.804 26.831 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.756 28.865 26.908 1.00 0.00 H new ATOM 370 N GLN A 25 6.851 26.518 25.230 1.00 0.00 N ATOM 371 CA GLN A 25 8.106 27.019 25.855 1.00 0.00 C ATOM 372 C GLN A 25 9.043 27.524 24.757 1.00 0.00 C ATOM 373 O GLN A 25 9.539 28.632 24.812 1.00 0.00 O ATOM 374 CB GLN A 25 8.784 25.883 26.624 1.00 0.00 C ATOM 375 CG GLN A 25 9.645 26.467 27.745 1.00 0.00 C ATOM 376 CD GLN A 25 8.979 26.196 29.095 1.00 0.00 C ATOM 377 OE1 GLN A 25 9.609 25.703 30.010 1.00 0.00 O ATOM 378 NE2 GLN A 25 7.720 26.498 29.260 1.00 0.00 N ATOM 0 H GLN A 25 6.575 25.576 25.507 1.00 0.00 H new ATOM 0 HA GLN A 25 7.875 27.831 26.544 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.032 25.212 27.040 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.401 25.290 25.949 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.640 26.022 27.723 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.772 27.540 27.599 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.190 26.912 28.493 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.266 26.320 30.156 1.00 0.00 H new ATOM 387 N ALA A 26 9.283 26.724 23.752 1.00 0.00 N ATOM 388 CA ALA A 26 10.179 27.170 22.647 1.00 0.00 C ATOM 389 C ALA A 26 9.573 28.411 21.991 1.00 0.00 C ATOM 390 O ALA A 26 10.271 29.260 21.474 1.00 0.00 O ATOM 391 CB ALA A 26 10.309 26.054 21.607 1.00 0.00 C ATOM 0 H ALA A 26 8.899 25.785 23.649 1.00 0.00 H new ATOM 0 HA ALA A 26 11.167 27.404 23.044 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.964 26.383 20.801 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.730 25.165 22.077 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.325 25.818 21.202 1.00 0.00 H new ATOM 397 N ALA A 27 8.273 28.519 22.012 1.00 0.00 N ATOM 398 CA ALA A 27 7.607 29.699 21.397 1.00 0.00 C ATOM 399 C ALA A 27 7.829 30.931 22.280 1.00 0.00 C ATOM 400 O ALA A 27 7.793 32.052 21.817 1.00 0.00 O ATOM 401 CB ALA A 27 6.108 29.422 21.275 1.00 0.00 C ATOM 0 H ALA A 27 7.641 27.837 22.431 1.00 0.00 H new ATOM 0 HA ALA A 27 8.028 29.884 20.409 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.614 30.283 20.825 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.950 28.545 20.648 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.690 29.240 22.265 1.00 0.00 H new ATOM 407 N VAL A 28 8.055 30.734 23.549 1.00 0.00 N ATOM 408 CA VAL A 28 8.276 31.897 24.455 1.00 0.00 C ATOM 409 C VAL A 28 9.451 32.728 23.937 1.00 0.00 C ATOM 410 O VAL A 28 9.411 33.943 23.926 1.00 0.00 O ATOM 411 CB VAL A 28 8.589 31.394 25.865 1.00 0.00 C ATOM 412 CG1 VAL A 28 8.870 32.585 26.782 1.00 0.00 C ATOM 413 CG2 VAL A 28 7.391 30.608 26.402 1.00 0.00 C ATOM 0 H VAL A 28 8.096 29.819 23.998 1.00 0.00 H new ATOM 0 HA VAL A 28 7.377 32.513 24.482 1.00 0.00 H new ATOM 0 HB VAL A 28 9.465 30.746 25.834 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.093 32.226 27.787 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.723 33.146 26.399 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.995 33.234 26.814 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.612 30.249 27.407 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.515 31.256 26.433 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.191 29.759 25.749 1.00 0.00 H new ATOM 423 N SER A 29 10.497 32.081 23.506 1.00 0.00 N ATOM 424 CA SER A 29 11.679 32.824 22.986 1.00 0.00 C ATOM 425 C SER A 29 11.456 33.166 21.514 1.00 0.00 C ATOM 426 O SER A 29 11.532 34.309 21.109 1.00 0.00 O ATOM 427 CB SER A 29 12.916 31.944 23.104 1.00 0.00 C ATOM 428 OG SER A 29 14.080 32.760 23.086 1.00 0.00 O ATOM 0 H SER A 29 10.585 31.065 23.491 1.00 0.00 H new ATOM 0 HA SER A 29 11.815 33.739 23.562 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.878 31.366 24.027 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.947 31.229 22.282 1.00 0.00 H new ATOM 0 HG SER A 29 14.877 32.195 23.164 1.00 0.00 H new ATOM 434 N ASN A 30 11.182 32.176 20.708 1.00 0.00 N ATOM 435 CA ASN A 30 10.953 32.430 19.258 1.00 0.00 C ATOM 436 C ASN A 30 9.886 33.511 19.089 1.00 0.00 C ATOM 437 O ASN A 30 9.768 34.126 18.048 1.00 0.00 O ATOM 438 CB ASN A 30 10.487 31.137 18.589 1.00 0.00 C ATOM 439 CG ASN A 30 11.709 30.312 18.186 1.00 0.00 C ATOM 440 OD1 ASN A 30 12.286 30.530 17.139 1.00 0.00 O ATOM 441 ND2 ASN A 30 12.134 29.369 18.983 1.00 0.00 N ATOM 0 H ASN A 30 11.107 31.200 20.993 1.00 0.00 H new ATOM 0 HA ASN A 30 11.880 32.767 18.794 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.857 30.567 19.272 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.882 31.365 17.712 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.951 28.815 18.727 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.649 29.187 19.862 1.00 0.00 H new ATOM 448 N GLY A 31 9.113 33.753 20.110 1.00 0.00 N ATOM 449 CA GLY A 31 8.056 34.802 20.015 1.00 0.00 C ATOM 450 C GLY A 31 6.813 34.240 19.322 1.00 0.00 C ATOM 451 O GLY A 31 6.014 34.974 18.776 1.00 0.00 O ATOM 0 H GLY A 31 9.166 33.271 21.007 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.796 35.157 21.012 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.434 35.660 19.459 1.00 0.00 H new ATOM 455 N ILE A 32 6.630 32.948 19.350 1.00 0.00 N ATOM 456 CA ILE A 32 5.422 32.357 18.701 1.00 0.00 C ATOM 457 C ILE A 32 4.407 32.037 19.785 1.00 0.00 C ATOM 458 O ILE A 32 3.214 32.010 19.557 1.00 0.00 O ATOM 459 CB ILE A 32 5.791 31.081 17.941 1.00 0.00 C ATOM 460 CG1 ILE A 32 7.259 31.144 17.536 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.925 30.965 16.685 1.00 0.00 C ATOM 462 CD1 ILE A 32 7.669 29.820 16.892 1.00 0.00 C ATOM 0 H ILE A 32 7.260 32.278 19.791 1.00 0.00 H new ATOM 0 HA ILE A 32 5.004 33.067 17.988 1.00 0.00 H new ATOM 0 HB ILE A 32 5.622 30.215 18.580 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.419 31.965 16.837 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.880 31.343 18.410 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.188 30.056 16.144 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.874 30.926 16.970 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.095 31.830 16.045 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.719 29.866 16.603 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.524 29.008 17.605 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.057 29.640 16.008 1.00 0.00 H new ATOM 474 N TYR A 33 4.879 31.821 20.975 1.00 0.00 N ATOM 475 CA TYR A 33 3.949 31.535 22.098 1.00 0.00 C ATOM 476 C TYR A 33 2.859 32.599 22.055 1.00 0.00 C ATOM 477 O TYR A 33 1.679 32.315 22.117 1.00 0.00 O ATOM 478 CB TYR A 33 4.719 31.594 23.430 1.00 0.00 C ATOM 479 CG TYR A 33 4.688 32.992 24.014 1.00 0.00 C ATOM 480 CD1 TYR A 33 5.690 33.912 23.682 1.00 0.00 C ATOM 481 CD2 TYR A 33 3.658 33.364 24.886 1.00 0.00 C ATOM 482 CE1 TYR A 33 5.662 35.204 24.221 1.00 0.00 C ATOM 483 CE2 TYR A 33 3.630 34.656 25.426 1.00 0.00 C ATOM 484 CZ TYR A 33 4.632 35.575 25.093 1.00 0.00 C ATOM 485 OH TYR A 33 4.603 36.849 25.625 1.00 0.00 O ATOM 0 H TYR A 33 5.869 31.830 21.221 1.00 0.00 H new ATOM 0 HA TYR A 33 3.510 30.541 22.011 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.282 30.890 24.138 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.752 31.285 23.271 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.485 33.625 23.010 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.885 32.655 25.142 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.435 35.914 23.964 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.836 34.943 26.099 1.00 0.00 H new ATOM 0 HH TYR A 33 3.822 36.942 26.209 1.00 0.00 H new ATOM 495 N ASP A 34 3.267 33.828 21.919 1.00 0.00 N ATOM 496 CA ASP A 34 2.284 34.937 21.837 1.00 0.00 C ATOM 497 C ASP A 34 1.544 34.826 20.505 1.00 0.00 C ATOM 498 O ASP A 34 0.377 35.148 20.404 1.00 0.00 O ATOM 499 CB ASP A 34 3.015 36.279 21.910 1.00 0.00 C ATOM 500 CG ASP A 34 1.995 37.408 22.075 1.00 0.00 C ATOM 501 OD1 ASP A 34 1.311 37.418 23.085 1.00 0.00 O ATOM 502 OD2 ASP A 34 1.915 38.242 21.188 1.00 0.00 O ATOM 0 H ASP A 34 4.245 34.112 21.861 1.00 0.00 H new ATOM 0 HA ASP A 34 1.578 34.875 22.665 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.713 36.280 22.747 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.603 36.435 21.005 1.00 0.00 H new ATOM 507 N ILE A 35 2.211 34.360 19.477 1.00 0.00 N ATOM 508 CA ILE A 35 1.530 34.220 18.161 1.00 0.00 C ATOM 509 C ILE A 35 0.311 33.310 18.327 1.00 0.00 C ATOM 510 O ILE A 35 -0.593 33.311 17.516 1.00 0.00 O ATOM 511 CB ILE A 35 2.496 33.604 17.147 1.00 0.00 C ATOM 512 CG1 ILE A 35 3.588 34.620 16.803 1.00 0.00 C ATOM 513 CG2 ILE A 35 1.732 33.228 15.877 1.00 0.00 C ATOM 514 CD1 ILE A 35 4.564 34.000 15.801 1.00 0.00 C ATOM 0 H ILE A 35 3.190 34.074 19.496 1.00 0.00 H new ATOM 0 HA ILE A 35 1.213 35.200 17.803 1.00 0.00 H new ATOM 0 HB ILE A 35 2.951 32.710 17.575 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.142 35.521 16.382 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.119 34.919 17.707 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.420 32.789 15.155 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.953 32.506 16.121 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.277 34.121 15.448 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.342 34.723 15.556 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.019 33.112 16.239 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.027 33.723 14.894 1.00 0.00 H new ATOM 526 N VAL A 36 0.283 32.534 19.378 1.00 0.00 N ATOM 527 CA VAL A 36 -0.873 31.621 19.607 1.00 0.00 C ATOM 528 C VAL A 36 -0.775 31.020 21.011 1.00 0.00 C ATOM 529 O VAL A 36 0.271 30.565 21.430 1.00 0.00 O ATOM 530 CB VAL A 36 -0.853 30.496 18.569 1.00 0.00 C ATOM 531 CG1 VAL A 36 -1.592 30.949 17.310 1.00 0.00 C ATOM 532 CG2 VAL A 36 0.597 30.156 18.214 1.00 0.00 C ATOM 0 H VAL A 36 1.013 32.494 20.089 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.802 32.183 19.514 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.344 29.614 18.980 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.577 30.148 16.571 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.624 31.192 17.562 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.102 31.831 16.898 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.612 29.355 17.475 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.087 31.038 17.803 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.125 29.832 19.111 1.00 0.00 H new ATOM 542 N GLY A 37 -1.857 31.013 21.743 1.00 0.00 N ATOM 543 CA GLY A 37 -1.823 30.440 23.120 1.00 0.00 C ATOM 544 C GLY A 37 -2.528 31.393 24.087 1.00 0.00 C ATOM 545 O GLY A 37 -2.837 32.518 23.749 1.00 0.00 O ATOM 0 H GLY A 37 -2.762 31.379 21.447 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.312 29.466 23.132 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.791 30.283 23.435 1.00 0.00 H new ATOM 549 N ASP A 38 -2.785 30.954 25.291 1.00 0.00 N ATOM 550 CA ASP A 38 -3.470 31.840 26.273 1.00 0.00 C ATOM 551 C ASP A 38 -3.257 31.305 27.692 1.00 0.00 C ATOM 552 O ASP A 38 -2.314 31.668 28.366 1.00 0.00 O ATOM 553 CB ASP A 38 -4.968 31.882 25.965 1.00 0.00 C ATOM 554 CG ASP A 38 -5.315 33.215 25.300 1.00 0.00 C ATOM 555 OD1 ASP A 38 -4.971 33.384 24.142 1.00 0.00 O ATOM 556 OD2 ASP A 38 -5.919 34.044 25.960 1.00 0.00 O ATOM 0 H ASP A 38 -2.550 30.023 25.635 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.053 32.845 26.201 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.238 31.055 25.309 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.542 31.761 26.883 1.00 0.00 H new ATOM 561 N CYS A 39 -4.130 30.451 28.154 1.00 0.00 N ATOM 562 CA CYS A 39 -3.979 29.903 29.532 1.00 0.00 C ATOM 563 C CYS A 39 -2.557 29.361 29.716 1.00 0.00 C ATOM 564 O CYS A 39 -1.936 29.559 30.742 1.00 0.00 O ATOM 565 CB CYS A 39 -5.008 28.787 29.758 1.00 0.00 C ATOM 566 SG CYS A 39 -4.477 27.263 28.933 1.00 0.00 S ATOM 0 H CYS A 39 -4.940 30.110 27.637 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.152 30.694 30.261 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.130 28.607 30.826 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.980 29.096 29.374 1.00 0.00 H new ATOM 571 N GLY A 40 -2.038 28.681 28.731 1.00 0.00 N ATOM 572 CA GLY A 40 -0.657 28.131 28.848 1.00 0.00 C ATOM 573 C GLY A 40 -0.642 26.971 29.847 1.00 0.00 C ATOM 574 O GLY A 40 -0.718 25.817 29.473 1.00 0.00 O ATOM 0 H GLY A 40 -2.511 28.482 27.849 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.309 27.788 27.874 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.029 28.913 29.175 1.00 0.00 H new ATOM 578 N GLY A 41 -0.535 27.267 31.113 1.00 0.00 N ATOM 579 CA GLY A 41 -0.503 26.181 32.135 1.00 0.00 C ATOM 580 C GLY A 41 -1.885 25.532 32.256 1.00 0.00 C ATOM 581 O GLY A 41 -2.128 24.466 31.727 1.00 0.00 O ATOM 0 H GLY A 41 -0.468 28.214 31.485 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.237 25.430 31.857 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.198 26.587 33.099 1.00 0.00 H new ATOM 585 N SER A 42 -2.788 26.162 32.956 1.00 0.00 N ATOM 586 CA SER A 42 -4.150 25.576 33.119 1.00 0.00 C ATOM 587 C SER A 42 -4.805 25.397 31.748 1.00 0.00 C ATOM 588 O SER A 42 -5.504 26.266 31.266 1.00 0.00 O ATOM 589 CB SER A 42 -5.007 26.511 33.974 1.00 0.00 C ATOM 590 OG SER A 42 -5.030 27.802 33.379 1.00 0.00 O ATOM 0 H SER A 42 -2.642 27.057 33.422 1.00 0.00 H new ATOM 0 HA SER A 42 -4.068 24.605 33.608 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.020 26.119 34.058 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.603 26.571 34.985 1.00 0.00 H new ATOM 0 HG SER A 42 -5.559 27.773 32.555 1.00 0.00 H new ATOM 596 N ALA A 43 -4.588 24.274 31.119 1.00 0.00 N ATOM 597 CA ALA A 43 -5.201 24.037 29.781 1.00 0.00 C ATOM 598 C ALA A 43 -6.725 24.098 29.900 1.00 0.00 C ATOM 599 O ALA A 43 -7.362 23.149 30.311 1.00 0.00 O ATOM 600 CB ALA A 43 -4.784 22.657 29.267 1.00 0.00 C ATOM 0 H ALA A 43 -4.013 23.510 31.474 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.860 24.803 29.084 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.232 22.483 28.289 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.698 22.613 29.182 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.125 21.891 29.964 1.00 0.00 H new ATOM 606 N SER A 44 -7.315 25.207 29.545 1.00 0.00 N ATOM 607 CA SER A 44 -8.798 25.322 29.641 1.00 0.00 C ATOM 608 C SER A 44 -9.287 26.458 28.740 1.00 0.00 C ATOM 609 O SER A 44 -10.358 26.997 28.934 1.00 0.00 O ATOM 610 CB SER A 44 -9.192 25.616 31.089 1.00 0.00 C ATOM 611 OG SER A 44 -8.391 24.830 31.962 1.00 0.00 O ATOM 0 H SER A 44 -6.836 26.036 29.194 1.00 0.00 H new ATOM 0 HA SER A 44 -9.254 24.385 29.320 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.056 26.675 31.307 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.247 25.391 31.244 1.00 0.00 H new ATOM 0 HG SER A 44 -8.207 23.963 31.545 1.00 0.00 H new ATOM 617 N CYS A 45 -8.514 26.826 27.754 1.00 0.00 N ATOM 618 CA CYS A 45 -8.944 27.927 26.846 1.00 0.00 C ATOM 619 C CYS A 45 -9.131 27.375 25.428 1.00 0.00 C ATOM 620 O CYS A 45 -9.329 26.192 25.234 1.00 0.00 O ATOM 621 CB CYS A 45 -7.886 29.041 26.853 1.00 0.00 C ATOM 622 SG CYS A 45 -6.501 28.612 25.763 1.00 0.00 S ATOM 0 H CYS A 45 -7.606 26.413 27.539 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.892 28.341 27.191 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.335 29.979 26.527 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.522 29.198 27.868 1.00 0.00 H new ATOM 627 N ALA A 46 -9.070 28.221 24.434 1.00 0.00 N ATOM 628 CA ALA A 46 -9.245 27.735 23.035 1.00 0.00 C ATOM 629 C ALA A 46 -8.402 28.585 22.079 1.00 0.00 C ATOM 630 O ALA A 46 -8.561 28.522 20.876 1.00 0.00 O ATOM 631 CB ALA A 46 -10.720 27.840 22.642 1.00 0.00 C ATOM 0 H ALA A 46 -8.907 29.223 24.530 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.921 26.696 22.972 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.850 27.485 21.620 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.321 27.230 23.317 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.041 28.879 22.709 1.00 0.00 H new ATOM 637 N THR A 47 -7.506 29.378 22.600 1.00 0.00 N ATOM 638 CA THR A 47 -6.657 30.226 21.717 1.00 0.00 C ATOM 639 C THR A 47 -5.548 29.370 21.099 1.00 0.00 C ATOM 640 O THR A 47 -5.013 29.690 20.057 1.00 0.00 O ATOM 641 CB THR A 47 -6.032 31.355 22.540 1.00 0.00 C ATOM 642 OG1 THR A 47 -4.896 30.859 23.234 1.00 0.00 O ATOM 643 CG2 THR A 47 -7.058 31.882 23.544 1.00 0.00 C ATOM 0 H THR A 47 -7.325 29.475 23.599 1.00 0.00 H new ATOM 0 HA THR A 47 -7.271 30.652 20.924 1.00 0.00 H new ATOM 0 HB THR A 47 -5.727 32.165 21.877 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.103 29.980 23.615 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.613 32.686 24.130 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.929 32.262 23.009 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.364 31.075 24.209 1.00 0.00 H new ATOM 651 N CYS A 48 -5.203 28.282 21.732 1.00 0.00 N ATOM 652 CA CYS A 48 -4.133 27.405 21.178 1.00 0.00 C ATOM 653 C CYS A 48 -4.729 26.403 20.180 1.00 0.00 C ATOM 654 O CYS A 48 -4.374 25.243 20.158 1.00 0.00 O ATOM 655 CB CYS A 48 -3.392 26.696 22.313 1.00 0.00 C ATOM 656 SG CYS A 48 -4.477 25.523 23.154 1.00 0.00 S ATOM 0 H CYS A 48 -5.616 27.963 22.608 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.410 28.018 20.640 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.523 26.173 21.915 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.022 27.432 23.027 1.00 0.00 H new ATOM 661 N HIS A 49 -5.623 26.873 19.342 1.00 0.00 N ATOM 662 CA HIS A 49 -6.257 26.011 18.292 1.00 0.00 C ATOM 663 C HIS A 49 -5.247 25.853 17.150 1.00 0.00 C ATOM 664 O HIS A 49 -5.444 26.369 16.068 1.00 0.00 O ATOM 665 CB HIS A 49 -7.499 26.755 17.770 1.00 0.00 C ATOM 666 CG HIS A 49 -8.220 25.955 16.726 1.00 0.00 C ATOM 667 ND1 HIS A 49 -9.166 25.003 17.044 1.00 0.00 N ATOM 668 CD2 HIS A 49 -8.168 25.983 15.355 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.629 24.499 15.899 1.00 0.00 C ATOM 670 NE2 HIS A 49 -9.065 25.065 14.839 1.00 0.00 N ATOM 0 H HIS A 49 -5.947 27.840 19.342 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.538 25.034 18.685 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.174 26.965 18.600 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.200 27.716 17.351 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.525 26.623 14.769 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.376 23.721 15.841 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.253 24.866 13.856 1.00 0.00 H new ATOM 678 N VAL A 50 -4.150 25.185 17.374 1.00 0.00 N ATOM 679 CA VAL A 50 -3.146 25.083 16.289 1.00 0.00 C ATOM 680 C VAL A 50 -3.444 23.909 15.390 1.00 0.00 C ATOM 681 O VAL A 50 -3.948 22.885 15.804 1.00 0.00 O ATOM 682 CB VAL A 50 -1.749 24.909 16.867 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.474 26.009 17.893 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.643 23.539 17.539 1.00 0.00 C ATOM 0 H VAL A 50 -3.911 24.714 18.247 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.194 26.006 15.711 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.014 24.977 16.065 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.473 25.881 18.304 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.546 26.983 17.410 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.207 25.948 18.697 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.643 23.413 17.953 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.379 23.469 18.340 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.832 22.757 16.803 1.00 0.00 H new ATOM 694 N TYR A 51 -3.117 24.065 14.154 1.00 0.00 N ATOM 695 CA TYR A 51 -3.346 22.986 13.181 1.00 0.00 C ATOM 696 C TYR A 51 -1.995 22.368 12.819 1.00 0.00 C ATOM 697 O TYR A 51 -1.176 22.956 12.145 1.00 0.00 O ATOM 698 CB TYR A 51 -4.018 23.601 11.971 1.00 0.00 C ATOM 699 CG TYR A 51 -5.516 23.713 12.207 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.078 23.401 13.459 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.352 24.106 11.155 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.460 23.479 13.638 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.734 24.190 11.342 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.290 23.871 12.580 1.00 0.00 C ATOM 705 OH TYR A 51 -9.658 23.954 12.761 1.00 0.00 O ATOM 0 H TYR A 51 -2.693 24.909 13.769 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.984 22.198 13.582 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.598 24.587 11.774 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.825 22.991 11.089 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.442 23.102 14.279 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.926 24.346 10.192 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.892 23.236 14.598 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.371 24.502 10.528 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.893 23.603 13.645 1.00 0.00 H new ATOM 715 N VAL A 52 -1.755 21.197 13.321 1.00 0.00 N ATOM 716 CA VAL A 52 -0.447 20.510 13.100 1.00 0.00 C ATOM 717 C VAL A 52 -0.452 19.636 11.847 1.00 0.00 C ATOM 718 O VAL A 52 -1.486 19.295 11.307 1.00 0.00 O ATOM 719 CB VAL A 52 -0.180 19.622 14.310 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.271 19.140 14.297 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.461 20.426 15.581 1.00 0.00 C ATOM 0 H VAL A 52 -2.420 20.671 13.888 1.00 0.00 H new ATOM 0 HA VAL A 52 0.323 21.270 12.967 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.831 18.748 14.279 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.452 18.506 15.165 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.457 18.570 13.387 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.940 20.000 14.330 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.274 19.802 16.455 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.192 21.298 15.611 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.501 20.751 15.583 1.00 0.00 H new ATOM 731 N ASN A 53 0.720 19.252 11.401 1.00 0.00 N ATOM 732 CA ASN A 53 0.824 18.377 10.205 1.00 0.00 C ATOM 733 C ASN A 53 0.285 16.991 10.564 1.00 0.00 C ATOM 734 O ASN A 53 0.320 16.581 11.707 1.00 0.00 O ATOM 735 CB ASN A 53 2.290 18.262 9.781 1.00 0.00 C ATOM 736 CG ASN A 53 2.430 18.659 8.310 1.00 0.00 C ATOM 737 OD1 ASN A 53 1.452 18.730 7.593 1.00 0.00 O ATOM 738 ND2 ASN A 53 3.614 18.921 7.828 1.00 0.00 N ATOM 0 H ASN A 53 1.612 19.513 11.822 1.00 0.00 H new ATOM 0 HA ASN A 53 0.247 18.800 9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.911 18.907 10.403 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.643 17.241 9.928 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.719 19.186 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.435 18.861 8.431 1.00 0.00 H new ATOM 745 N GLU A 54 -0.218 16.272 9.603 1.00 0.00 N ATOM 746 CA GLU A 54 -0.774 14.916 9.890 1.00 0.00 C ATOM 747 C GLU A 54 0.356 13.895 10.064 1.00 0.00 C ATOM 748 O GLU A 54 0.114 12.709 10.167 1.00 0.00 O ATOM 749 CB GLU A 54 -1.671 14.482 8.730 1.00 0.00 C ATOM 750 CG GLU A 54 -0.831 14.343 7.459 1.00 0.00 C ATOM 751 CD GLU A 54 -1.342 15.320 6.399 1.00 0.00 C ATOM 752 OE1 GLU A 54 -1.636 16.449 6.755 1.00 0.00 O ATOM 753 OE2 GLU A 54 -1.432 14.922 5.249 1.00 0.00 O ATOM 0 H GLU A 54 -0.270 16.563 8.627 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.351 14.962 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.154 13.533 8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.464 15.214 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.217 14.545 7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.887 13.321 7.084 1.00 0.00 H new ATOM 760 N ALA A 55 1.586 14.331 10.096 1.00 0.00 N ATOM 761 CA ALA A 55 2.707 13.361 10.261 1.00 0.00 C ATOM 762 C ALA A 55 3.347 13.529 11.640 1.00 0.00 C ATOM 763 O ALA A 55 4.126 12.706 12.077 1.00 0.00 O ATOM 764 CB ALA A 55 3.757 13.603 9.176 1.00 0.00 C ATOM 0 H ALA A 55 1.862 15.310 10.016 1.00 0.00 H new ATOM 0 HA ALA A 55 2.317 12.347 10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.576 12.894 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.303 13.469 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.142 14.619 9.262 1.00 0.00 H new ATOM 770 N PHE A 56 3.030 14.588 12.328 1.00 0.00 N ATOM 771 CA PHE A 56 3.625 14.805 13.676 1.00 0.00 C ATOM 772 C PHE A 56 2.541 14.660 14.744 1.00 0.00 C ATOM 773 O PHE A 56 2.826 14.436 15.904 1.00 0.00 O ATOM 774 CB PHE A 56 4.232 16.198 13.733 1.00 0.00 C ATOM 775 CG PHE A 56 5.481 16.209 12.890 1.00 0.00 C ATOM 776 CD1 PHE A 56 5.402 16.522 11.528 1.00 0.00 C ATOM 777 CD2 PHE A 56 6.720 15.911 13.470 1.00 0.00 C ATOM 778 CE1 PHE A 56 6.562 16.539 10.747 1.00 0.00 C ATOM 779 CE2 PHE A 56 7.879 15.926 12.688 1.00 0.00 C ATOM 780 CZ PHE A 56 7.800 16.241 11.327 1.00 0.00 C ATOM 0 H PHE A 56 2.385 15.314 12.016 1.00 0.00 H new ATOM 0 HA PHE A 56 4.403 14.064 13.861 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.520 16.937 13.365 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.467 16.467 14.763 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.446 16.750 11.081 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.780 15.670 14.521 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.502 16.782 9.696 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.835 15.695 13.134 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.696 16.254 10.724 1.00 0.00 H new ATOM 790 N THR A 57 1.298 14.779 14.363 1.00 0.00 N ATOM 791 CA THR A 57 0.200 14.639 15.360 1.00 0.00 C ATOM 792 C THR A 57 0.129 13.185 15.831 1.00 0.00 C ATOM 793 O THR A 57 -0.541 12.865 16.792 1.00 0.00 O ATOM 794 CB THR A 57 -1.132 15.019 14.713 1.00 0.00 C ATOM 795 OG1 THR A 57 -1.152 14.558 13.370 1.00 0.00 O ATOM 796 CG2 THR A 57 -1.296 16.536 14.737 1.00 0.00 C ATOM 0 H THR A 57 0.996 14.967 13.407 1.00 0.00 H new ATOM 0 HA THR A 57 0.395 15.296 16.208 1.00 0.00 H new ATOM 0 HB THR A 57 -1.951 14.559 15.267 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.617 15.211 12.807 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.246 16.807 14.276 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.281 16.887 15.769 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.479 16.999 14.184 1.00 0.00 H new ATOM 804 N ASP A 58 0.810 12.299 15.155 1.00 0.00 N ATOM 805 CA ASP A 58 0.775 10.866 15.562 1.00 0.00 C ATOM 806 C ASP A 58 1.882 10.596 16.581 1.00 0.00 C ATOM 807 O ASP A 58 1.706 9.845 17.520 1.00 0.00 O ATOM 808 CB ASP A 58 0.988 9.981 14.331 1.00 0.00 C ATOM 809 CG ASP A 58 -0.326 9.859 13.557 1.00 0.00 C ATOM 810 OD1 ASP A 58 -1.368 9.879 14.190 1.00 0.00 O ATOM 811 OD2 ASP A 58 -0.267 9.747 12.343 1.00 0.00 O ATOM 0 H ASP A 58 1.388 12.506 14.340 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.193 10.640 16.010 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.761 10.408 13.692 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.336 8.994 14.635 1.00 0.00 H new ATOM 816 N LYS A 59 3.024 11.202 16.406 1.00 0.00 N ATOM 817 CA LYS A 59 4.140 10.978 17.366 1.00 0.00 C ATOM 818 C LYS A 59 3.816 11.665 18.695 1.00 0.00 C ATOM 819 O LYS A 59 4.183 11.193 19.753 1.00 0.00 O ATOM 820 CB LYS A 59 5.433 11.559 16.791 1.00 0.00 C ATOM 821 CG LYS A 59 6.053 10.557 15.816 1.00 0.00 C ATOM 822 CD LYS A 59 5.009 10.139 14.779 1.00 0.00 C ATOM 823 CE LYS A 59 5.635 9.151 13.793 1.00 0.00 C ATOM 824 NZ LYS A 59 7.040 9.557 13.507 1.00 0.00 N ATOM 0 H LYS A 59 3.232 11.842 15.640 1.00 0.00 H new ATOM 0 HA LYS A 59 4.267 9.908 17.533 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.226 12.499 16.280 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.134 11.781 17.596 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.915 11.002 15.320 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.413 9.682 16.357 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.152 9.681 15.274 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.639 11.015 14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.614 8.144 14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.057 9.127 12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.342 9.147 12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.098 10.594 13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.662 9.213 14.266 1.00 0.00 H new ATOM 838 N VAL A 60 3.127 12.773 18.651 1.00 0.00 N ATOM 839 CA VAL A 60 2.777 13.482 19.905 1.00 0.00 C ATOM 840 C VAL A 60 2.114 12.497 20.873 1.00 0.00 C ATOM 841 O VAL A 60 1.696 11.429 20.472 1.00 0.00 O ATOM 842 CB VAL A 60 1.811 14.623 19.581 1.00 0.00 C ATOM 843 CG1 VAL A 60 2.602 15.880 19.220 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.913 14.232 18.405 1.00 0.00 C ATOM 0 H VAL A 60 2.792 13.216 17.795 1.00 0.00 H new ATOM 0 HA VAL A 60 3.676 13.889 20.367 1.00 0.00 H new ATOM 0 HB VAL A 60 1.191 14.820 20.455 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.911 16.691 18.990 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.232 16.168 20.062 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.228 15.679 18.351 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.229 15.051 18.182 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.529 14.025 17.530 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.341 13.341 18.665 1.00 0.00 H new ATOM 854 N PRO A 61 2.041 12.883 22.121 1.00 0.00 N ATOM 855 CA PRO A 61 1.433 12.040 23.166 1.00 0.00 C ATOM 856 C PRO A 61 -0.003 11.674 22.782 1.00 0.00 C ATOM 857 O PRO A 61 -0.414 11.838 21.651 1.00 0.00 O ATOM 858 CB PRO A 61 1.460 12.905 24.433 1.00 0.00 C ATOM 859 CG PRO A 61 2.184 14.231 24.083 1.00 0.00 C ATOM 860 CD PRO A 61 2.550 14.185 22.591 1.00 0.00 C ATOM 0 HA PRO A 61 1.966 11.100 23.307 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.447 13.103 24.782 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.980 12.387 25.239 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.540 15.085 24.292 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.080 14.350 24.693 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.092 15.010 22.045 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.627 14.265 22.445 1.00 0.00 H new ATOM 868 N ALA A 62 -0.768 11.173 23.713 1.00 0.00 N ATOM 869 CA ALA A 62 -2.174 10.794 23.396 1.00 0.00 C ATOM 870 C ALA A 62 -3.135 11.757 24.093 1.00 0.00 C ATOM 871 O ALA A 62 -3.966 11.356 24.883 1.00 0.00 O ATOM 872 CB ALA A 62 -2.440 9.373 23.884 1.00 0.00 C ATOM 0 H ALA A 62 -0.481 11.010 24.678 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.327 10.845 22.318 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.468 9.095 23.652 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.757 8.684 23.387 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.285 9.323 24.962 1.00 0.00 H new ATOM 878 N ALA A 63 -3.027 13.022 23.804 1.00 0.00 N ATOM 879 CA ALA A 63 -3.934 14.015 24.446 1.00 0.00 C ATOM 880 C ALA A 63 -5.363 13.466 24.454 1.00 0.00 C ATOM 881 O ALA A 63 -6.017 13.397 23.432 1.00 0.00 O ATOM 882 CB ALA A 63 -3.895 15.326 23.659 1.00 0.00 C ATOM 0 H ALA A 63 -2.349 13.413 23.150 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.608 14.198 25.470 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.558 16.052 24.129 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.877 15.716 23.652 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.222 15.145 22.635 1.00 0.00 H new ATOM 888 N ASN A 64 -5.851 13.072 25.598 1.00 0.00 N ATOM 889 CA ASN A 64 -7.236 12.525 25.669 1.00 0.00 C ATOM 890 C ASN A 64 -8.224 13.555 25.117 1.00 0.00 C ATOM 891 O ASN A 64 -7.853 14.465 24.403 1.00 0.00 O ATOM 892 CB ASN A 64 -7.589 12.211 27.125 1.00 0.00 C ATOM 893 CG ASN A 64 -6.372 11.610 27.829 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.600 10.891 27.226 1.00 0.00 O ATOM 895 ND2 ASN A 64 -6.165 11.876 29.090 1.00 0.00 N ATOM 0 H ASN A 64 -5.351 13.105 26.486 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.294 11.612 25.076 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.906 13.119 27.637 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.426 11.514 27.165 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.356 11.480 29.568 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.813 12.479 29.597 1.00 0.00 H new ATOM 902 N GLU A 65 -9.480 13.417 25.443 1.00 0.00 N ATOM 903 CA GLU A 65 -10.492 14.386 24.937 1.00 0.00 C ATOM 904 C GLU A 65 -10.813 15.407 26.031 1.00 0.00 C ATOM 905 O GLU A 65 -11.367 16.456 25.771 1.00 0.00 O ATOM 906 CB GLU A 65 -11.768 13.636 24.550 1.00 0.00 C ATOM 907 CG GLU A 65 -12.819 14.634 24.061 1.00 0.00 C ATOM 908 CD GLU A 65 -14.001 13.875 23.455 1.00 0.00 C ATOM 909 OE1 GLU A 65 -14.212 12.738 23.845 1.00 0.00 O ATOM 910 OE2 GLU A 65 -14.675 14.443 22.612 1.00 0.00 O ATOM 0 H GLU A 65 -9.849 12.675 26.038 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.095 14.902 24.063 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.551 12.908 23.768 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.150 13.080 25.407 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.159 15.256 24.889 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.383 15.303 23.318 1.00 0.00 H new ATOM 917 N ARG A 66 -10.471 15.107 27.255 1.00 0.00 N ATOM 918 CA ARG A 66 -10.758 16.061 28.363 1.00 0.00 C ATOM 919 C ARG A 66 -10.376 17.477 27.928 1.00 0.00 C ATOM 920 O ARG A 66 -11.204 18.363 27.868 1.00 0.00 O ATOM 921 CB ARG A 66 -9.943 15.669 29.597 1.00 0.00 C ATOM 922 CG ARG A 66 -10.890 15.224 30.714 1.00 0.00 C ATOM 923 CD ARG A 66 -10.419 13.882 31.278 1.00 0.00 C ATOM 924 NE ARG A 66 -9.727 14.105 32.579 1.00 0.00 N ATOM 925 CZ ARG A 66 -9.504 13.101 33.384 1.00 0.00 C ATOM 926 NH1 ARG A 66 -9.885 11.897 33.054 1.00 0.00 N ATOM 927 NH2 ARG A 66 -8.897 13.303 34.522 1.00 0.00 N ATOM 0 H ARG A 66 -10.006 14.243 27.535 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.820 16.029 28.604 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.252 14.863 29.349 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.341 16.514 29.931 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.915 15.974 31.504 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.906 15.132 30.329 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.270 13.215 31.416 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.744 13.396 30.573 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.427 15.044 32.841 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.359 11.738 32.165 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.709 11.115 33.685 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.598 14.243 34.781 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.722 12.521 35.152 1.00 0.00 H new ATOM 941 N GLU A 67 -9.126 17.697 27.623 1.00 0.00 N ATOM 942 CA GLU A 67 -8.692 19.055 27.191 1.00 0.00 C ATOM 943 C GLU A 67 -9.327 19.386 25.839 1.00 0.00 C ATOM 944 O GLU A 67 -9.483 20.536 25.480 1.00 0.00 O ATOM 945 CB GLU A 67 -7.168 19.087 27.062 1.00 0.00 C ATOM 946 CG GLU A 67 -6.543 18.231 28.166 1.00 0.00 C ATOM 947 CD GLU A 67 -5.499 19.054 28.922 1.00 0.00 C ATOM 948 OE1 GLU A 67 -5.677 20.257 29.015 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.539 18.468 29.394 1.00 0.00 O ATOM 0 H GLU A 67 -8.387 16.995 27.654 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.008 19.791 27.931 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.868 18.713 26.083 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.808 20.113 27.135 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.315 17.885 28.853 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.079 17.344 27.734 1.00 0.00 H new ATOM 956 N ILE A 68 -9.694 18.385 25.086 1.00 0.00 N ATOM 957 CA ILE A 68 -10.318 18.641 23.758 1.00 0.00 C ATOM 958 C ILE A 68 -11.648 19.373 23.951 1.00 0.00 C ATOM 959 O ILE A 68 -12.056 20.166 23.127 1.00 0.00 O ATOM 960 CB ILE A 68 -10.570 17.309 23.049 1.00 0.00 C ATOM 961 CG1 ILE A 68 -9.231 16.629 22.752 1.00 0.00 C ATOM 962 CG2 ILE A 68 -11.314 17.561 21.737 1.00 0.00 C ATOM 963 CD1 ILE A 68 -8.336 17.586 21.962 1.00 0.00 C ATOM 0 H ILE A 68 -9.588 17.401 25.334 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.649 19.255 23.155 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.172 16.665 23.690 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.742 16.342 23.683 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.394 15.714 22.183 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.493 16.612 21.232 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.267 18.046 21.947 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.712 18.205 21.096 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.383 17.102 21.751 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.825 17.850 21.024 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.162 18.489 22.548 1.00 0.00 H new ATOM 975 N GLY A 69 -12.327 19.111 25.034 1.00 0.00 N ATOM 976 CA GLY A 69 -13.630 19.792 25.280 1.00 0.00 C ATOM 977 C GLY A 69 -13.448 21.306 25.155 1.00 0.00 C ATOM 978 O GLY A 69 -14.182 21.973 24.454 1.00 0.00 O ATOM 0 H GLY A 69 -12.036 18.455 25.759 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.375 19.444 24.564 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.002 19.541 26.273 1.00 0.00 H new ATOM 982 N MET A 70 -12.475 21.854 25.831 1.00 0.00 N ATOM 983 CA MET A 70 -12.248 23.324 25.749 1.00 0.00 C ATOM 984 C MET A 70 -11.814 23.690 24.329 1.00 0.00 C ATOM 985 O MET A 70 -11.977 24.810 23.888 1.00 0.00 O ATOM 986 CB MET A 70 -11.154 23.728 26.739 1.00 0.00 C ATOM 987 CG MET A 70 -11.770 23.942 28.122 1.00 0.00 C ATOM 988 SD MET A 70 -12.274 22.346 28.812 1.00 0.00 S ATOM 989 CE MET A 70 -11.352 22.470 30.365 1.00 0.00 C ATOM 0 H MET A 70 -11.828 21.347 26.436 1.00 0.00 H new ATOM 0 HA MET A 70 -13.170 23.850 25.996 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.388 22.954 26.786 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.664 24.641 26.402 1.00 0.00 H new ATOM 0 HG2 MET A 70 -11.049 24.424 28.782 1.00 0.00 H new ATOM 0 HG3 MET A 70 -12.631 24.607 28.050 1.00 0.00 H new ATOM 0 HE1 MET A 70 -11.604 21.625 31.006 1.00 0.00 H new ATOM 0 HE2 MET A 70 -10.282 22.460 30.155 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.614 23.399 30.871 1.00 0.00 H new ATOM 999 N LEU A 71 -11.262 22.752 23.609 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.819 23.044 22.217 1.00 0.00 C ATOM 1001 C LEU A 71 -11.984 22.812 21.253 1.00 0.00 C ATOM 1002 O LEU A 71 -11.923 23.164 20.092 1.00 0.00 O ATOM 1003 CB LEU A 71 -9.658 22.119 21.846 1.00 0.00 C ATOM 1004 CG LEU A 71 -8.597 22.912 21.081 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -8.103 24.073 21.947 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -7.421 21.994 20.742 1.00 0.00 C ATOM 0 H LEU A 71 -11.099 21.796 23.925 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.492 24.082 22.150 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.223 21.685 22.746 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.019 21.292 21.235 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.030 23.304 20.161 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.347 24.638 21.402 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.940 24.728 22.190 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.670 23.682 22.867 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.664 22.558 20.197 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.988 21.602 21.662 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.771 21.167 20.125 1.00 0.00 H new ATOM 1018 N GLU A 72 -13.048 22.222 21.726 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.217 21.967 20.839 1.00 0.00 C ATOM 1020 C GLU A 72 -14.984 23.273 20.623 1.00 0.00 C ATOM 1021 O GLU A 72 -15.512 23.526 19.558 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.138 20.935 21.494 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.474 20.895 20.750 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.829 19.446 20.413 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.107 18.695 21.333 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -16.815 19.111 19.240 1.00 0.00 O ATOM 0 H GLU A 72 -13.158 21.906 22.689 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.871 21.585 19.879 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.670 19.951 21.475 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.301 21.190 22.541 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.257 21.339 21.364 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.411 21.487 19.837 1.00 0.00 H new ATOM 1033 N CYS A 73 -15.050 24.107 21.625 1.00 0.00 N ATOM 1034 CA CYS A 73 -15.782 25.396 21.476 1.00 0.00 C ATOM 1035 C CYS A 73 -14.779 26.522 21.218 1.00 0.00 C ATOM 1036 O CYS A 73 -14.860 27.585 21.802 1.00 0.00 O ATOM 1037 CB CYS A 73 -16.562 25.691 22.759 1.00 0.00 C ATOM 1038 SG CYS A 73 -18.190 26.359 22.335 1.00 0.00 S ATOM 0 H CYS A 73 -14.628 23.951 22.541 1.00 0.00 H new ATOM 0 HA CYS A 73 -16.476 25.327 20.638 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -16.673 24.780 23.348 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -16.014 26.404 23.375 1.00 0.00 H new ATOM 0 HG CYS A 73 -18.854 26.608 23.425 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.833 26.298 20.348 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.825 27.355 20.053 1.00 0.00 C ATOM 1046 C VAL A 74 -13.404 28.345 19.040 1.00 0.00 C ATOM 1047 O VAL A 74 -14.457 28.126 18.475 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.565 26.709 19.473 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -11.098 25.582 20.395 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.879 26.137 18.089 1.00 0.00 C ATOM 0 H VAL A 74 -13.714 25.428 19.828 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.573 27.883 20.972 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.778 27.458 19.389 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.200 25.122 19.982 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.876 25.988 21.382 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.884 24.832 20.480 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.983 25.676 17.674 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.666 25.387 18.175 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.213 26.939 17.431 1.00 0.00 H new ATOM 1060 N THR A 75 -12.722 29.433 18.805 1.00 0.00 N ATOM 1061 CA THR A 75 -13.232 30.436 17.828 1.00 0.00 C ATOM 1062 C THR A 75 -13.433 29.770 16.467 1.00 0.00 C ATOM 1063 O THR A 75 -14.091 30.304 15.597 1.00 0.00 O ATOM 1064 CB THR A 75 -12.218 31.575 17.680 1.00 0.00 C ATOM 1065 OG1 THR A 75 -12.405 32.211 16.423 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.798 31.014 17.763 1.00 0.00 C ATOM 0 H THR A 75 -11.834 29.670 19.247 1.00 0.00 H new ATOM 0 HA THR A 75 -14.181 30.833 18.188 1.00 0.00 H new ATOM 0 HB THR A 75 -12.366 32.299 18.481 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.350 32.445 16.312 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.079 31.826 17.657 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.655 30.526 18.727 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.646 30.289 16.964 1.00 0.00 H new ATOM 1074 N ALA A 76 -12.860 28.615 16.266 1.00 0.00 N ATOM 1075 CA ALA A 76 -13.014 27.938 14.951 1.00 0.00 C ATOM 1076 C ALA A 76 -13.571 26.526 15.137 1.00 0.00 C ATOM 1077 O ALA A 76 -14.287 26.239 16.076 1.00 0.00 O ATOM 1078 CB ALA A 76 -11.650 27.857 14.261 1.00 0.00 C ATOM 0 H ALA A 76 -12.295 28.114 16.952 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.709 28.512 14.339 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.759 27.361 13.296 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.258 28.863 14.110 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.960 27.289 14.885 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.234 25.645 14.238 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.707 24.244 14.314 1.00 0.00 C ATOM 1086 C GLU A 77 -12.508 23.364 14.591 1.00 0.00 C ATOM 1087 O GLU A 77 -11.410 23.705 14.222 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.307 23.835 12.975 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.699 24.669 11.842 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.340 26.058 11.829 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.555 26.127 11.741 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -13.605 27.028 11.907 1.00 0.00 O ATOM 0 H GLU A 77 -12.636 25.847 13.437 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.459 24.143 15.097 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.123 22.776 12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.388 23.972 12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.621 24.756 11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.860 24.174 10.885 1.00 0.00 H new ATOM 1099 N LEU A 78 -12.682 22.234 15.208 1.00 0.00 N ATOM 1100 CA LEU A 78 -11.488 21.391 15.457 1.00 0.00 C ATOM 1101 C LEU A 78 -11.515 20.119 14.624 1.00 0.00 C ATOM 1102 O LEU A 78 -12.454 19.348 14.636 1.00 0.00 O ATOM 1103 CB LEU A 78 -11.356 21.031 16.932 1.00 0.00 C ATOM 1104 CG LEU A 78 -9.877 20.758 17.196 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -9.374 21.620 18.351 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -9.666 19.281 17.526 1.00 0.00 C ATOM 0 H LEU A 78 -13.572 21.865 15.542 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.622 21.983 15.161 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.716 21.845 17.561 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.958 20.154 17.170 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.314 21.009 16.297 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.318 21.413 18.526 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.501 22.673 18.101 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.943 21.390 19.252 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.608 19.097 17.712 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.242 19.021 18.414 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.998 18.670 16.687 1.00 0.00 H new ATOM 1118 N LYS A 79 -10.446 19.905 13.922 1.00 0.00 N ATOM 1119 CA LYS A 79 -10.291 18.701 13.079 1.00 0.00 C ATOM 1120 C LYS A 79 -9.450 17.689 13.875 1.00 0.00 C ATOM 1121 O LYS A 79 -8.888 18.031 14.894 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.583 19.119 11.782 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.627 19.434 10.712 1.00 0.00 C ATOM 1124 CD LYS A 79 -11.128 20.868 10.896 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.621 21.413 9.554 1.00 0.00 C ATOM 1126 NZ LYS A 79 -13.046 21.023 9.353 1.00 0.00 N ATOM 0 H LYS A 79 -9.647 20.538 13.899 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.248 18.247 12.821 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.956 19.992 11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.925 18.320 11.440 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.194 19.313 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.460 18.734 10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.935 20.891 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.327 21.497 11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.523 22.498 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.008 21.021 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.382 21.393 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.126 19.986 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.626 21.417 10.121 1.00 0.00 H new ATOM 1140 N PRO A 80 -9.409 16.475 13.404 1.00 0.00 N ATOM 1141 CA PRO A 80 -8.658 15.389 14.072 1.00 0.00 C ATOM 1142 C PRO A 80 -7.162 15.724 14.175 1.00 0.00 C ATOM 1143 O PRO A 80 -6.407 15.027 14.823 1.00 0.00 O ATOM 1144 CB PRO A 80 -8.868 14.165 13.169 1.00 0.00 C ATOM 1145 CG PRO A 80 -9.735 14.610 11.963 1.00 0.00 C ATOM 1146 CD PRO A 80 -10.107 16.086 12.175 1.00 0.00 C ATOM 0 HA PRO A 80 -9.004 15.227 15.093 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.910 13.773 12.827 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.361 13.364 13.720 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.186 14.484 11.030 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.633 13.996 11.890 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.792 16.699 11.330 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.185 16.212 12.276 1.00 0.00 H new ATOM 1154 N ASN A 81 -6.725 16.763 13.523 1.00 0.00 N ATOM 1155 CA ASN A 81 -5.273 17.118 13.562 1.00 0.00 C ATOM 1156 C ASN A 81 -5.012 18.368 14.422 1.00 0.00 C ATOM 1157 O ASN A 81 -3.899 18.850 14.491 1.00 0.00 O ATOM 1158 CB ASN A 81 -4.791 17.383 12.136 1.00 0.00 C ATOM 1159 CG ASN A 81 -3.601 16.478 11.827 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -2.436 16.765 12.334 1.00 0.00 O flip ATOM 1161 ND2 ASN A 81 -3.732 15.500 11.118 1.00 0.00 N flip ATOM 0 H ASN A 81 -7.308 17.385 12.963 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.731 16.284 14.008 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.598 17.196 11.427 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.505 18.429 12.025 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.645 15.276 10.721 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.929 14.903 10.919 1.00 0.00 H new ATOM 1168 N SER A 82 -6.008 18.902 15.076 1.00 0.00 N ATOM 1169 CA SER A 82 -5.775 20.118 15.918 1.00 0.00 C ATOM 1170 C SER A 82 -5.369 19.705 17.327 1.00 0.00 C ATOM 1171 O SER A 82 -5.678 18.620 17.778 1.00 0.00 O ATOM 1172 CB SER A 82 -7.047 20.944 15.992 1.00 0.00 C ATOM 1173 OG SER A 82 -7.859 20.643 14.873 1.00 0.00 O ATOM 0 H SER A 82 -6.967 18.555 15.066 1.00 0.00 H new ATOM 0 HA SER A 82 -4.978 20.709 15.467 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.584 20.727 16.916 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.805 22.007 16.006 1.00 0.00 H new ATOM 0 HG SER A 82 -7.892 21.418 14.275 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.681 20.561 18.036 1.00 0.00 N ATOM 1180 CA ARG A 83 -4.272 20.194 19.416 1.00 0.00 C ATOM 1181 C ARG A 83 -3.891 21.450 20.191 1.00 0.00 C ATOM 1182 O ARG A 83 -3.548 22.466 19.619 1.00 0.00 O ATOM 1183 CB ARG A 83 -3.076 19.244 19.361 1.00 0.00 C ATOM 1184 CG ARG A 83 -3.036 18.417 20.645 1.00 0.00 C ATOM 1185 CD ARG A 83 -2.419 17.047 20.358 1.00 0.00 C ATOM 1186 NE ARG A 83 -1.665 16.586 21.556 1.00 0.00 N ATOM 1187 CZ ARG A 83 -1.306 15.335 21.664 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -1.619 14.478 20.730 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -0.636 14.940 22.712 1.00 0.00 N ATOM 0 H ARG A 83 -4.389 21.486 17.721 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.104 19.700 19.918 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.156 18.589 18.494 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.151 19.810 19.249 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.453 18.937 21.405 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.044 18.296 21.043 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.200 16.329 20.107 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.754 17.108 19.497 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.428 17.249 22.294 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.146 14.785 19.912 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.337 13.502 20.818 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.394 15.608 23.444 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.354 13.964 22.799 1.00 0.00 H new ATOM 1203 N LEU A 84 -3.933 21.387 21.490 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.557 22.574 22.298 1.00 0.00 C ATOM 1205 C LEU A 84 -2.033 22.666 22.351 1.00 0.00 C ATOM 1206 O LEU A 84 -1.382 21.895 23.024 1.00 0.00 O ATOM 1207 CB LEU A 84 -4.114 22.428 23.716 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.618 22.158 23.649 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.865 20.650 23.580 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -6.293 22.728 24.898 1.00 0.00 C ATOM 0 H LEU A 84 -4.211 20.565 22.026 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.968 23.477 21.847 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.610 21.612 24.234 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.922 23.335 24.289 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.033 22.634 22.761 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.937 20.459 23.532 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.384 20.243 22.691 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.450 20.172 24.468 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.365 22.536 24.852 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.877 22.252 25.786 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.118 23.803 24.948 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.457 23.594 21.639 1.00 0.00 N ATOM 1223 CA CYS A 85 0.028 23.723 21.648 1.00 0.00 C ATOM 1224 C CYS A 85 0.535 23.717 23.092 1.00 0.00 C ATOM 1225 O CYS A 85 1.684 23.421 23.355 1.00 0.00 O ATOM 1226 CB CYS A 85 0.431 25.035 20.970 1.00 0.00 C ATOM 1227 SG CYS A 85 -0.050 26.431 22.016 1.00 0.00 S ATOM 0 H CYS A 85 -1.949 24.268 21.052 1.00 0.00 H new ATOM 0 HA CYS A 85 0.467 22.885 21.107 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.507 25.051 20.797 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.050 25.115 19.995 1.00 0.00 H new ATOM 0 HG CYS A 85 0.295 27.544 21.440 1.00 0.00 H new ATOM 1233 N CYS A 86 -0.309 24.048 24.030 1.00 0.00 N ATOM 1234 CA CYS A 86 0.127 24.069 25.453 1.00 0.00 C ATOM 1235 C CYS A 86 0.100 22.652 26.037 1.00 0.00 C ATOM 1236 O CYS A 86 0.951 22.280 26.821 1.00 0.00 O ATOM 1237 CB CYS A 86 -0.819 24.955 26.261 1.00 0.00 C ATOM 1238 SG CYS A 86 -2.455 24.182 26.322 1.00 0.00 S ATOM 0 H CYS A 86 -1.283 24.305 23.871 1.00 0.00 H new ATOM 0 HA CYS A 86 1.143 24.461 25.503 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.432 25.095 27.270 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.888 25.943 25.806 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.881 21.867 25.685 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.971 20.487 26.245 1.00 0.00 C ATOM 1245 C GLN A 87 -0.207 19.491 25.367 1.00 0.00 C ATOM 1246 O GLN A 87 -0.670 18.395 25.117 1.00 0.00 O ATOM 1247 CB GLN A 87 -2.440 20.069 26.319 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.651 19.153 27.526 1.00 0.00 C ATOM 1249 CD GLN A 87 -2.443 19.951 28.815 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -3.379 20.502 29.359 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -1.247 20.036 29.329 1.00 0.00 N ATOM 0 H GLN A 87 -1.624 22.121 25.034 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.527 20.485 27.240 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.076 20.950 26.403 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.729 19.553 25.403 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.656 18.732 27.505 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.954 18.316 27.487 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.461 19.573 28.872 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.098 20.565 30.188 1.00 0.00 H new ATOM 1260 N ILE A 88 0.963 19.844 24.910 1.00 0.00 N ATOM 1261 CA ILE A 88 1.748 18.890 24.069 1.00 0.00 C ATOM 1262 C ILE A 88 3.241 19.129 24.284 1.00 0.00 C ATOM 1263 O ILE A 88 3.679 20.240 24.506 1.00 0.00 O ATOM 1264 CB ILE A 88 1.426 19.070 22.580 1.00 0.00 C ATOM 1265 CG1 ILE A 88 0.188 19.955 22.403 1.00 0.00 C ATOM 1266 CG2 ILE A 88 1.166 17.699 21.953 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -0.301 19.869 20.955 1.00 0.00 C ATOM 0 H ILE A 88 1.409 20.745 25.080 1.00 0.00 H new ATOM 0 HA ILE A 88 1.479 17.876 24.366 1.00 0.00 H new ATOM 0 HB ILE A 88 2.273 19.550 22.089 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.601 19.635 23.084 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.427 20.988 22.656 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.937 17.821 20.894 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.053 17.075 22.063 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.323 17.223 22.455 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.182 20.499 20.830 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.487 20.210 20.284 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.557 18.836 20.718 1.00 0.00 H new ATOM 1279 N ILE A 89 4.026 18.090 24.219 1.00 0.00 N ATOM 1280 CA ILE A 89 5.486 18.241 24.415 1.00 0.00 C ATOM 1281 C ILE A 89 6.209 17.881 23.115 1.00 0.00 C ATOM 1282 O ILE A 89 5.630 17.316 22.209 1.00 0.00 O ATOM 1283 CB ILE A 89 5.934 17.295 25.526 1.00 0.00 C ATOM 1284 CG1 ILE A 89 5.361 17.764 26.868 1.00 0.00 C ATOM 1285 CG2 ILE A 89 7.455 17.287 25.595 1.00 0.00 C ATOM 1286 CD1 ILE A 89 5.558 19.273 27.015 1.00 0.00 C ATOM 0 H ILE A 89 3.712 17.137 24.037 1.00 0.00 H new ATOM 0 HA ILE A 89 5.722 19.269 24.688 1.00 0.00 H new ATOM 0 HB ILE A 89 5.572 16.289 25.315 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.301 17.519 26.927 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.855 17.242 27.687 1.00 0.00 H new ATOM 0 HG21 ILE A 89 7.780 16.613 26.387 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.861 16.949 24.642 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.815 18.294 25.806 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.149 19.602 27.970 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.622 19.507 26.976 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.043 19.788 26.204 1.00 0.00 H new ATOM 1298 N MET A 90 7.469 18.201 23.016 1.00 0.00 N ATOM 1299 CA MET A 90 8.224 17.877 21.779 1.00 0.00 C ATOM 1300 C MET A 90 9.526 17.172 22.148 1.00 0.00 C ATOM 1301 O MET A 90 10.515 17.794 22.481 1.00 0.00 O ATOM 1302 CB MET A 90 8.532 19.166 21.018 1.00 0.00 C ATOM 1303 CG MET A 90 9.657 18.934 19.995 1.00 0.00 C ATOM 1304 SD MET A 90 9.437 17.333 19.171 1.00 0.00 S ATOM 1305 CE MET A 90 9.257 17.963 17.486 1.00 0.00 C ATOM 0 H MET A 90 8.008 18.674 23.742 1.00 0.00 H new ATOM 0 HA MET A 90 7.626 17.220 21.147 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.635 19.517 20.507 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.826 19.947 21.719 1.00 0.00 H new ATOM 0 HG2 MET A 90 9.656 19.735 19.255 1.00 0.00 H new ATOM 0 HG3 MET A 90 10.625 18.963 20.495 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.705 17.241 16.885 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.715 18.908 17.507 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.243 18.120 17.049 1.00 0.00 H new ATOM 1315 N THR A 91 9.529 15.876 22.082 1.00 0.00 N ATOM 1316 CA THR A 91 10.760 15.110 22.418 1.00 0.00 C ATOM 1317 C THR A 91 11.596 14.920 21.148 1.00 0.00 C ATOM 1318 O THR A 91 11.152 15.243 20.065 1.00 0.00 O ATOM 1319 CB THR A 91 10.370 13.742 22.984 1.00 0.00 C ATOM 1320 OG1 THR A 91 8.959 13.589 22.916 1.00 0.00 O ATOM 1321 CG2 THR A 91 10.826 13.641 24.440 1.00 0.00 C ATOM 0 H THR A 91 8.728 15.307 21.808 1.00 0.00 H new ATOM 0 HA THR A 91 11.342 15.656 23.161 1.00 0.00 H new ATOM 0 HB THR A 91 10.850 12.956 22.401 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.707 12.713 23.276 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.548 12.667 24.842 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.908 13.759 24.491 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.347 14.425 25.026 1.00 0.00 H new ATOM 1329 N PRO A 92 12.785 14.401 21.321 1.00 0.00 N ATOM 1330 CA PRO A 92 13.706 14.157 20.196 1.00 0.00 C ATOM 1331 C PRO A 92 13.084 13.175 19.197 1.00 0.00 C ATOM 1332 O PRO A 92 13.585 12.988 18.105 1.00 0.00 O ATOM 1333 CB PRO A 92 14.962 13.553 20.840 1.00 0.00 C ATOM 1334 CG PRO A 92 14.721 13.483 22.370 1.00 0.00 C ATOM 1335 CD PRO A 92 13.307 14.018 22.646 1.00 0.00 C ATOM 0 HA PRO A 92 13.929 15.067 19.640 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.157 12.559 20.438 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.837 14.164 20.618 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.818 12.457 22.726 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.465 14.076 22.902 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.681 13.258 23.114 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.332 14.872 23.323 1.00 0.00 H new ATOM 1343 N GLU A 93 11.999 12.545 19.558 1.00 0.00 N ATOM 1344 CA GLU A 93 11.353 11.579 18.625 1.00 0.00 C ATOM 1345 C GLU A 93 10.767 12.336 17.432 1.00 0.00 C ATOM 1346 O GLU A 93 11.014 12.001 16.290 1.00 0.00 O ATOM 1347 CB GLU A 93 10.233 10.835 19.357 1.00 0.00 C ATOM 1348 CG GLU A 93 10.842 9.858 20.364 1.00 0.00 C ATOM 1349 CD GLU A 93 9.777 9.440 21.379 1.00 0.00 C ATOM 1350 OE1 GLU A 93 8.727 8.987 20.953 1.00 0.00 O ATOM 1351 OE2 GLU A 93 10.028 9.580 22.564 1.00 0.00 O ATOM 0 H GLU A 93 11.533 12.658 20.458 1.00 0.00 H new ATOM 0 HA GLU A 93 12.095 10.863 18.272 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.585 11.546 19.870 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.612 10.296 18.641 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.230 8.981 19.846 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.684 10.325 20.876 1.00 0.00 H new ATOM 1358 N LEU A 94 9.992 13.356 17.685 1.00 0.00 N ATOM 1359 CA LEU A 94 9.393 14.133 16.562 1.00 0.00 C ATOM 1360 C LEU A 94 10.445 15.081 15.983 1.00 0.00 C ATOM 1361 O LEU A 94 11.065 15.843 16.697 1.00 0.00 O ATOM 1362 CB LEU A 94 8.205 14.945 17.080 1.00 0.00 C ATOM 1363 CG LEU A 94 6.967 14.051 17.150 1.00 0.00 C ATOM 1364 CD1 LEU A 94 6.593 13.810 18.613 1.00 0.00 C ATOM 1365 CD2 LEU A 94 5.802 14.738 16.434 1.00 0.00 C ATOM 0 H LEU A 94 9.748 13.684 18.619 1.00 0.00 H new ATOM 0 HA LEU A 94 9.053 13.448 15.786 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.430 15.350 18.067 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.017 15.794 16.423 1.00 0.00 H new ATOM 0 HG LEU A 94 7.180 13.097 16.668 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.710 13.173 18.663 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.422 13.322 19.125 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.379 14.764 19.096 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.919 14.102 16.483 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.590 15.692 16.917 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.067 14.911 15.391 1.00 0.00 H new ATOM 1377 N ASP A 95 10.655 15.040 14.694 1.00 0.00 N ATOM 1378 CA ASP A 95 11.671 15.940 14.079 1.00 0.00 C ATOM 1379 C ASP A 95 11.080 16.628 12.846 1.00 0.00 C ATOM 1380 O ASP A 95 10.572 15.986 11.949 1.00 0.00 O ATOM 1381 CB ASP A 95 12.894 15.118 13.665 1.00 0.00 C ATOM 1382 CG ASP A 95 12.435 13.850 12.943 1.00 0.00 C ATOM 1383 OD1 ASP A 95 12.165 13.932 11.756 1.00 0.00 O ATOM 1384 OD2 ASP A 95 12.362 12.817 13.589 1.00 0.00 O ATOM 0 H ASP A 95 10.168 14.424 14.043 1.00 0.00 H new ATOM 0 HA ASP A 95 11.966 16.697 14.805 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.538 15.708 13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.484 14.856 14.543 1.00 0.00 H new ATOM 1389 N GLY A 96 11.145 17.932 12.795 1.00 0.00 N ATOM 1390 CA GLY A 96 10.589 18.663 11.618 1.00 0.00 C ATOM 1391 C GLY A 96 9.068 18.745 11.740 1.00 0.00 C ATOM 1392 O GLY A 96 8.350 18.682 10.762 1.00 0.00 O ATOM 0 H GLY A 96 11.559 18.522 13.517 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.015 19.665 11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.863 18.151 10.696 1.00 0.00 H new ATOM 1396 N ILE A 97 8.572 18.882 12.938 1.00 0.00 N ATOM 1397 CA ILE A 97 7.094 18.964 13.130 1.00 0.00 C ATOM 1398 C ILE A 97 6.585 20.311 12.614 1.00 0.00 C ATOM 1399 O ILE A 97 7.145 21.351 12.901 1.00 0.00 O ATOM 1400 CB ILE A 97 6.749 18.798 14.625 1.00 0.00 C ATOM 1401 CG1 ILE A 97 5.388 19.432 14.944 1.00 0.00 C ATOM 1402 CG2 ILE A 97 7.817 19.491 15.471 1.00 0.00 C ATOM 1403 CD1 ILE A 97 4.361 19.040 13.882 1.00 0.00 C ATOM 0 H ILE A 97 9.125 18.941 13.793 1.00 0.00 H new ATOM 0 HA ILE A 97 6.611 18.164 12.570 1.00 0.00 H new ATOM 0 HB ILE A 97 6.710 17.733 14.852 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.048 19.106 15.927 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.484 20.517 14.984 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.576 19.375 16.528 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.789 19.041 15.269 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.849 20.551 15.220 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.400 19.496 14.120 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.696 19.389 12.905 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.253 17.956 13.863 1.00 0.00 H new ATOM 1415 N VAL A 98 5.526 20.298 11.849 1.00 0.00 N ATOM 1416 CA VAL A 98 4.981 21.571 11.311 1.00 0.00 C ATOM 1417 C VAL A 98 3.685 21.922 12.038 1.00 0.00 C ATOM 1418 O VAL A 98 2.661 21.305 11.825 1.00 0.00 O ATOM 1419 CB VAL A 98 4.682 21.400 9.823 1.00 0.00 C ATOM 1420 CG1 VAL A 98 4.513 22.776 9.175 1.00 0.00 C ATOM 1421 CG2 VAL A 98 5.839 20.658 9.151 1.00 0.00 C ATOM 0 H VAL A 98 5.017 19.458 11.575 1.00 0.00 H new ATOM 0 HA VAL A 98 5.711 22.367 11.457 1.00 0.00 H new ATOM 0 HB VAL A 98 3.764 20.826 9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.300 22.654 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.688 23.304 9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.431 23.351 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.625 20.536 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.758 21.231 9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.959 19.677 9.612 1.00 0.00 H new ATOM 1431 N VAL A 99 3.705 22.924 12.872 1.00 0.00 N ATOM 1432 CA VAL A 99 2.453 23.312 13.571 1.00 0.00 C ATOM 1433 C VAL A 99 1.856 24.499 12.825 1.00 0.00 C ATOM 1434 O VAL A 99 2.558 25.244 12.173 1.00 0.00 O ATOM 1435 CB VAL A 99 2.726 23.694 15.033 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.413 22.500 15.935 1.00 0.00 C ATOM 1437 CG2 VAL A 99 4.192 24.091 15.217 1.00 0.00 C ATOM 0 H VAL A 99 4.527 23.485 13.097 1.00 0.00 H new ATOM 0 HA VAL A 99 1.762 22.469 13.580 1.00 0.00 H new ATOM 0 HB VAL A 99 2.093 24.541 15.299 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.606 22.768 16.974 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.365 22.222 15.821 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.044 21.657 15.655 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.368 24.359 16.259 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.833 23.253 14.944 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.421 24.945 14.579 1.00 0.00 H new ATOM 1447 N ASP A 100 0.572 24.680 12.897 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.047 25.820 12.173 1.00 0.00 C ATOM 1449 C ASP A 100 -0.881 26.641 13.147 1.00 0.00 C ATOM 1450 O ASP A 100 -1.049 26.282 14.295 1.00 0.00 O ATOM 1451 CB ASP A 100 -0.940 25.299 11.045 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.161 24.294 10.193 1.00 0.00 C ATOM 1453 OD1 ASP A 100 0.611 23.537 10.759 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -0.349 24.299 8.988 1.00 0.00 O ATOM 0 H ASP A 100 -0.074 24.092 13.423 1.00 0.00 H new ATOM 0 HA ASP A 100 0.737 26.444 11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.829 24.825 11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.281 26.128 10.425 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.397 27.745 12.700 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.215 28.596 13.615 1.00 0.00 C ATOM 1461 C VAL A 101 -3.694 28.498 13.236 1.00 0.00 C ATOM 1462 O VAL A 101 -4.030 28.352 12.078 1.00 0.00 O ATOM 1463 CB VAL A 101 -1.737 30.061 13.518 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -2.758 31.027 14.131 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -0.407 30.202 14.263 1.00 0.00 C ATOM 0 H VAL A 101 -1.292 28.098 11.749 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.093 28.246 14.640 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.619 30.313 12.464 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.389 32.049 14.045 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.707 30.938 13.601 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.905 30.781 15.183 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.062 31.234 14.199 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.545 29.929 15.309 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.335 29.543 13.811 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.535 28.590 14.239 1.00 0.00 N ATOM 1476 CA PRO A 102 -5.991 28.524 14.052 1.00 0.00 C ATOM 1477 C PRO A 102 -6.444 29.553 13.015 1.00 0.00 C ATOM 1478 O PRO A 102 -5.639 30.201 12.376 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.576 28.877 15.415 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.407 28.909 16.428 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.104 28.767 15.639 1.00 0.00 C ATOM 0 HA PRO A 102 -6.312 27.544 13.698 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.078 29.844 15.378 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.323 28.141 15.714 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.414 29.843 16.990 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.506 28.100 17.152 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.474 29.649 15.751 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.522 27.913 15.986 1.00 0.00 H new ATOM 1489 N ASP A 103 -7.728 29.735 12.870 1.00 0.00 N ATOM 1490 CA ASP A 103 -8.227 30.752 11.907 1.00 0.00 C ATOM 1491 C ASP A 103 -8.346 32.076 12.649 1.00 0.00 C ATOM 1492 O ASP A 103 -8.240 33.145 12.081 1.00 0.00 O ATOM 1493 CB ASP A 103 -9.592 30.336 11.368 1.00 0.00 C ATOM 1494 CG ASP A 103 -9.414 29.570 10.056 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -8.296 29.517 9.571 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -10.399 29.050 9.558 1.00 0.00 O ATOM 0 H ASP A 103 -8.451 29.224 13.377 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.541 30.846 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.108 29.712 12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.214 31.216 11.205 1.00 0.00 H new ATOM 1501 N ARG A 104 -8.542 31.993 13.929 1.00 0.00 N ATOM 1502 CA ARG A 104 -8.646 33.219 14.763 1.00 0.00 C ATOM 1503 C ARG A 104 -7.548 33.171 15.825 1.00 0.00 C ATOM 1504 O ARG A 104 -6.560 32.481 15.674 1.00 0.00 O ATOM 1505 CB ARG A 104 -10.010 33.272 15.451 1.00 0.00 C ATOM 1506 CG ARG A 104 -10.732 34.559 15.040 1.00 0.00 C ATOM 1507 CD ARG A 104 -11.986 34.223 14.230 1.00 0.00 C ATOM 1508 NE ARG A 104 -11.769 32.967 13.458 1.00 0.00 N ATOM 1509 CZ ARG A 104 -12.794 32.328 12.955 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -14.000 32.810 13.094 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -12.615 31.208 12.313 1.00 0.00 N ATOM 0 H ARG A 104 -8.636 31.116 14.442 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.534 34.103 14.135 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.605 32.402 15.173 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.886 33.240 16.533 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.005 35.131 15.927 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.065 35.186 14.449 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.840 34.107 14.897 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.221 35.042 13.550 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.825 32.607 13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.144 33.686 13.596 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.797 32.310 12.701 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.675 30.828 12.202 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.415 30.711 11.921 1.00 0.00 H new ATOM 1525 N GLN A 105 -7.710 33.884 16.903 1.00 0.00 N ATOM 1526 CA GLN A 105 -6.669 33.854 17.967 1.00 0.00 C ATOM 1527 C GLN A 105 -7.302 34.213 19.315 1.00 0.00 C ATOM 1528 O GLN A 105 -6.634 34.673 20.219 1.00 0.00 O ATOM 1529 CB GLN A 105 -5.568 34.863 17.635 1.00 0.00 C ATOM 1530 CG GLN A 105 -4.343 34.589 18.510 1.00 0.00 C ATOM 1531 CD GLN A 105 -3.285 35.665 18.259 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -3.628 36.924 18.308 1.00 0.00 O flip ATOM 1533 NE2 GLN A 105 -2.135 35.358 18.015 1.00 0.00 N flip ATOM 0 H GLN A 105 -8.513 34.483 17.093 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.239 32.854 18.024 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -5.299 34.790 16.581 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.928 35.878 17.802 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.628 34.583 19.562 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.935 33.604 18.285 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.867 34.375 17.977 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.438 36.084 17.849 1.00 0.00 H new ATOM 1542 N TRP A 106 -8.585 34.002 19.455 1.00 0.00 N ATOM 1543 CA TRP A 106 -9.263 34.328 20.743 1.00 0.00 C ATOM 1544 C TRP A 106 -8.742 35.665 21.277 1.00 0.00 C ATOM 1545 O TRP A 106 -9.238 36.689 20.839 1.00 0.00 O ATOM 1546 CB TRP A 106 -8.978 33.224 21.762 1.00 0.00 C ATOM 1547 CG TRP A 106 -10.093 32.228 21.737 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -10.007 30.979 21.223 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -11.455 32.374 22.233 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -11.229 30.349 21.374 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -12.154 31.168 21.991 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -12.144 33.425 22.864 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -13.490 31.010 22.362 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -13.489 33.270 23.238 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -14.160 32.065 22.988 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.855 35.640 22.115 1.00 0.00 O ATOM 0 H TRP A 106 -9.192 33.617 18.731 1.00 0.00 H new ATOM 0 HA TRP A 106 -10.338 34.402 20.577 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -8.032 32.734 21.530 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -8.879 33.651 22.760 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -9.128 30.545 20.769 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.423 29.396 21.067 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -11.636 34.357 23.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -14.002 30.080 22.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -14.009 34.084 23.721 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -15.194 31.952 23.279 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -5.086 27.304 26.821 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -3.891 25.469 25.274 1.00 0.00 FE HETATM 1570 S1 FES A 107 -5.775 25.257 26.389 1.00 0.00 S HETATM 1571 S2 FES A 107 -3.204 27.514 25.705 1.00 0.00 S