USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 522 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 28:sc= 0.418! 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 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00141) USER MOD Single : A 10 MET CE :methyl -112:sc= -5.23! (180deg=-8.3!) USER MOD Single : A 11 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.72! C(o=-2.7!,f=-10!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.8) USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= -0.031 (180deg=-0.0365) USER MOD Single : A 37 HIS : no HD1:sc= -0.733 X(o=-0.73,f=-0.31) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -5.88! C(o=-5.9!,f=-12!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 126:sc= 0.224 USER MOD Single : A 57 ASN : amide:sc= -0.0367 K(o=-0.037,f=-1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.195 16.531 20.622 1.00 0.00 N ATOM 2 CA GLY A 1 5.848 17.097 19.331 1.00 0.00 C ATOM 3 C GLY A 1 6.145 16.150 18.185 1.00 0.00 C ATOM 4 O GLY A 1 7.265 16.114 17.675 1.00 0.00 O ATOM 0 H1 GLY A 1 5.973 17.216 21.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.649 15.659 20.777 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.211 16.311 20.643 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.788 17.352 19.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.400 18.025 19.184 1.00 0.00 H new ATOM 8 N SER A 2 5.140 15.380 17.780 1.00 0.00 N ATOM 9 CA SER A 2 5.301 14.424 16.690 1.00 0.00 C ATOM 10 C SER A 2 4.505 14.860 15.464 1.00 0.00 C ATOM 11 O SER A 2 3.288 14.681 15.404 1.00 0.00 O ATOM 12 CB SER A 2 4.851 13.031 17.135 1.00 0.00 C ATOM 13 OG SER A 2 5.269 12.041 16.212 1.00 0.00 O ATOM 0 H SER A 2 4.206 15.399 18.190 1.00 0.00 H new ATOM 0 HA SER A 2 6.357 14.389 16.423 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.261 12.810 18.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.765 13.009 17.230 1.00 0.00 H new ATOM 0 HG SER A 2 4.970 11.160 16.520 1.00 0.00 H new ATOM 19 N SER A 3 5.201 15.434 14.488 1.00 0.00 N ATOM 20 CA SER A 3 4.560 15.900 13.263 1.00 0.00 C ATOM 21 C SER A 3 5.396 15.535 12.040 1.00 0.00 C ATOM 22 O SER A 3 6.566 15.904 11.941 1.00 0.00 O ATOM 23 CB SER A 3 4.348 17.414 13.318 1.00 0.00 C ATOM 24 OG SER A 3 5.575 18.106 13.163 1.00 0.00 O ATOM 0 H SER A 3 6.209 15.588 14.521 1.00 0.00 H new ATOM 0 HA SER A 3 3.591 15.408 13.179 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.655 17.716 12.533 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.891 17.686 14.269 1.00 0.00 H new ATOM 0 HG SER A 3 6.196 17.558 12.639 1.00 0.00 H new ATOM 30 N GLY A 4 4.786 14.807 11.109 1.00 0.00 N ATOM 31 CA GLY A 4 5.488 14.404 9.905 1.00 0.00 C ATOM 32 C GLY A 4 5.196 12.968 9.517 1.00 0.00 C ATOM 33 O GLY A 4 4.091 12.472 9.732 1.00 0.00 O ATOM 0 H GLY A 4 3.818 14.489 11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.205 15.064 9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.561 14.526 10.056 1.00 0.00 H new ATOM 37 N SER A 5 6.190 12.299 8.942 1.00 0.00 N ATOM 38 CA SER A 5 6.033 10.912 8.518 1.00 0.00 C ATOM 39 C SER A 5 7.389 10.277 8.225 1.00 0.00 C ATOM 40 O SER A 5 8.333 10.959 7.824 1.00 0.00 O ATOM 41 CB SER A 5 5.141 10.834 7.277 1.00 0.00 C ATOM 42 OG SER A 5 5.836 11.271 6.122 1.00 0.00 O ATOM 0 H SER A 5 7.112 12.694 8.759 1.00 0.00 H new ATOM 0 HA SER A 5 5.561 10.360 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.800 9.809 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.252 11.448 7.425 1.00 0.00 H new ATOM 0 HG SER A 5 5.245 11.210 5.342 1.00 0.00 H new ATOM 48 N SER A 6 7.477 8.966 8.427 1.00 0.00 N ATOM 49 CA SER A 6 8.718 8.238 8.188 1.00 0.00 C ATOM 50 C SER A 6 8.818 7.798 6.730 1.00 0.00 C ATOM 51 O SER A 6 9.742 8.182 6.016 1.00 0.00 O ATOM 52 CB SER A 6 8.804 7.019 9.108 1.00 0.00 C ATOM 53 OG SER A 6 8.794 7.407 10.471 1.00 0.00 O ATOM 0 H SER A 6 6.704 8.387 8.755 1.00 0.00 H new ATOM 0 HA SER A 6 9.551 8.907 8.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.966 6.351 8.911 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.715 6.460 8.892 1.00 0.00 H new ATOM 0 HG SER A 6 8.848 6.610 11.038 1.00 0.00 H new ATOM 59 N GLY A 7 7.857 6.987 6.297 1.00 0.00 N ATOM 60 CA GLY A 7 7.853 6.507 4.927 1.00 0.00 C ATOM 61 C GLY A 7 6.475 6.556 4.299 1.00 0.00 C ATOM 62 O GLY A 7 5.818 7.598 4.305 1.00 0.00 O ATOM 0 H GLY A 7 7.082 6.654 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.541 7.108 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.223 5.482 4.903 1.00 0.00 H new ATOM 66 N LEU A 8 6.035 5.427 3.753 1.00 0.00 N ATOM 67 CA LEU A 8 4.725 5.346 3.115 1.00 0.00 C ATOM 68 C LEU A 8 3.862 4.278 3.780 1.00 0.00 C ATOM 69 O LEU A 8 4.363 3.240 4.213 1.00 0.00 O ATOM 70 CB LEU A 8 4.880 5.038 1.625 1.00 0.00 C ATOM 71 CG LEU A 8 3.693 4.344 0.956 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.459 5.231 1.007 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.030 3.979 -0.483 1.00 0.00 C ATOM 0 H LEU A 8 6.566 4.556 3.739 1.00 0.00 H new ATOM 0 HA LEU A 8 4.231 6.311 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.072 5.973 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.762 4.412 1.494 1.00 0.00 H new ATOM 0 HG LEU A 8 3.479 3.425 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.624 4.721 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.206 5.442 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.662 6.166 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.174 3.486 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.271 4.884 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.887 3.305 -0.496 1.00 0.00 H new ATOM 85 N LYS A 9 2.561 4.539 3.855 1.00 0.00 N ATOM 86 CA LYS A 9 1.626 3.600 4.463 1.00 0.00 C ATOM 87 C LYS A 9 0.385 3.428 3.593 1.00 0.00 C ATOM 88 O LYS A 9 -0.036 4.358 2.906 1.00 0.00 O ATOM 89 CB LYS A 9 1.222 4.081 5.858 1.00 0.00 C ATOM 90 CG LYS A 9 2.210 3.694 6.945 1.00 0.00 C ATOM 91 CD LYS A 9 1.518 3.499 8.284 1.00 0.00 C ATOM 92 CE LYS A 9 0.713 2.209 8.312 1.00 0.00 C ATOM 93 NZ LYS A 9 -0.223 2.165 9.470 1.00 0.00 N ATOM 0 H LYS A 9 2.130 5.394 3.502 1.00 0.00 H new ATOM 0 HA LYS A 9 2.124 2.634 4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.118 5.166 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.243 3.670 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.722 2.774 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.972 4.468 7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.262 3.482 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.859 4.345 8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.148 2.113 7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.392 1.358 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.741 1.263 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.316 2.248 10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.898 2.953 9.401 1.00 0.00 H new ATOM 107 N MET A 10 -0.197 2.234 3.630 1.00 0.00 N ATOM 108 CA MET A 10 -1.392 1.943 2.847 1.00 0.00 C ATOM 109 C MET A 10 -2.288 0.943 3.572 1.00 0.00 C ATOM 110 O MET A 10 -1.847 0.257 4.494 1.00 0.00 O ATOM 111 CB MET A 10 -1.006 1.394 1.472 1.00 0.00 C ATOM 112 CG MET A 10 -0.379 2.434 0.557 1.00 0.00 C ATOM 113 SD MET A 10 -0.402 1.938 -1.177 1.00 0.00 S ATOM 114 CE MET A 10 -1.741 2.953 -1.800 1.00 0.00 C ATOM 0 H MET A 10 0.139 1.453 4.193 1.00 0.00 H new ATOM 0 HA MET A 10 -1.945 2.873 2.717 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.307 0.568 1.603 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.895 0.986 0.990 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.912 3.378 0.668 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.651 2.611 0.867 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.584 2.317 -2.071 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.052 3.658 -1.029 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.403 3.502 -2.679 1.00 0.00 H new ATOM 124 N GLN A 11 -3.546 0.868 3.151 1.00 0.00 N ATOM 125 CA GLN A 11 -4.503 -0.047 3.762 1.00 0.00 C ATOM 126 C GLN A 11 -4.868 -1.174 2.802 1.00 0.00 C ATOM 127 O GLN A 11 -5.024 -0.954 1.601 1.00 0.00 O ATOM 128 CB GLN A 11 -5.764 0.708 4.185 1.00 0.00 C ATOM 129 CG GLN A 11 -6.584 1.227 3.014 1.00 0.00 C ATOM 130 CD GLN A 11 -8.016 1.542 3.399 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.888 0.675 3.354 1.00 0.00 O ATOM 132 NE2 GLN A 11 -8.265 2.790 3.780 1.00 0.00 N ATOM 0 H GLN A 11 -3.927 1.430 2.389 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.037 -0.484 4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.387 0.049 4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.479 1.548 4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.113 2.125 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.581 0.485 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.511 3.476 3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.210 3.062 4.050 1.00 0.00 H new ATOM 141 N VAL A 12 -5.002 -2.382 3.340 1.00 0.00 N ATOM 142 CA VAL A 12 -5.350 -3.544 2.531 1.00 0.00 C ATOM 143 C VAL A 12 -6.808 -3.490 2.089 1.00 0.00 C ATOM 144 O VAL A 12 -7.721 -3.576 2.911 1.00 0.00 O ATOM 145 CB VAL A 12 -5.107 -4.857 3.301 1.00 0.00 C ATOM 146 CG1 VAL A 12 -5.467 -6.056 2.437 1.00 0.00 C ATOM 147 CG2 VAL A 12 -3.662 -4.940 3.769 1.00 0.00 C ATOM 0 H VAL A 12 -4.875 -2.581 4.332 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.706 -3.522 1.652 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.750 -4.867 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.289 -6.974 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.519 -6.000 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.851 -6.054 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.508 -5.873 4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.997 -4.908 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.444 -4.099 4.426 1.00 0.00 H new ATOM 157 N LEU A 13 -7.020 -3.346 0.785 1.00 0.00 N ATOM 158 CA LEU A 13 -8.368 -3.280 0.232 1.00 0.00 C ATOM 159 C LEU A 13 -9.075 -4.626 0.359 1.00 0.00 C ATOM 160 O LEU A 13 -10.130 -4.727 0.985 1.00 0.00 O ATOM 161 CB LEU A 13 -8.317 -2.855 -1.237 1.00 0.00 C ATOM 162 CG LEU A 13 -8.428 -1.354 -1.505 1.00 0.00 C ATOM 163 CD1 LEU A 13 -8.209 -1.058 -2.980 1.00 0.00 C ATOM 164 CD2 LEU A 13 -9.782 -0.829 -1.049 1.00 0.00 C ATOM 0 H LEU A 13 -6.276 -3.273 0.091 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.931 -2.539 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.381 -3.212 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.124 -3.359 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.652 -0.844 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.292 0.015 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.216 -1.397 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.962 -1.579 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.843 0.241 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.574 -1.345 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.900 -1.007 0.020 1.00 0.00 H new ATOM 176 N TYR A 14 -8.486 -5.657 -0.236 1.00 0.00 N ATOM 177 CA TYR A 14 -9.059 -6.997 -0.189 1.00 0.00 C ATOM 178 C TYR A 14 -8.068 -7.993 0.403 1.00 0.00 C ATOM 179 O TYR A 14 -6.866 -7.913 0.151 1.00 0.00 O ATOM 180 CB TYR A 14 -9.474 -7.445 -1.592 1.00 0.00 C ATOM 181 CG TYR A 14 -10.404 -6.477 -2.287 1.00 0.00 C ATOM 182 CD1 TYR A 14 -11.782 -6.582 -2.144 1.00 0.00 C ATOM 183 CD2 TYR A 14 -9.904 -5.456 -3.086 1.00 0.00 C ATOM 184 CE1 TYR A 14 -12.635 -5.700 -2.778 1.00 0.00 C ATOM 185 CE2 TYR A 14 -10.750 -4.569 -3.723 1.00 0.00 C ATOM 186 CZ TYR A 14 -12.114 -4.695 -3.566 1.00 0.00 C ATOM 187 OH TYR A 14 -12.961 -3.813 -4.199 1.00 0.00 O ATOM 0 H TYR A 14 -7.612 -5.591 -0.757 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.940 -6.966 0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.580 -7.577 -2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.961 -8.418 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.193 -7.367 -1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.836 -5.354 -3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -13.704 -5.797 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.345 -3.781 -4.341 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.435 -3.166 -4.713 1.00 0.00 H new ATOM 197 N GLU A 15 -8.582 -8.932 1.192 1.00 0.00 N ATOM 198 CA GLU A 15 -7.742 -9.945 1.821 1.00 0.00 C ATOM 199 C GLU A 15 -7.006 -10.770 0.770 1.00 0.00 C ATOM 200 O GLU A 15 -7.551 -11.073 -0.292 1.00 0.00 O ATOM 201 CB GLU A 15 -8.588 -10.863 2.705 1.00 0.00 C ATOM 202 CG GLU A 15 -7.805 -12.016 3.309 1.00 0.00 C ATOM 203 CD GLU A 15 -8.672 -13.230 3.582 1.00 0.00 C ATOM 204 OE1 GLU A 15 -9.061 -13.911 2.610 1.00 0.00 O ATOM 205 OE2 GLU A 15 -8.962 -13.499 4.766 1.00 0.00 O ATOM 0 H GLU A 15 -9.575 -9.012 1.411 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.004 -9.435 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.029 -10.274 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.412 -11.264 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.997 -12.296 2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.342 -11.688 4.240 1.00 0.00 H new ATOM 212 N PHE A 16 -5.763 -11.130 1.073 1.00 0.00 N ATOM 213 CA PHE A 16 -4.950 -11.919 0.155 1.00 0.00 C ATOM 214 C PHE A 16 -4.242 -13.052 0.892 1.00 0.00 C ATOM 215 O PHE A 16 -3.692 -12.853 1.975 1.00 0.00 O ATOM 216 CB PHE A 16 -3.921 -11.028 -0.543 1.00 0.00 C ATOM 217 CG PHE A 16 -2.864 -11.798 -1.282 1.00 0.00 C ATOM 218 CD1 PHE A 16 -3.159 -12.435 -2.477 1.00 0.00 C ATOM 219 CD2 PHE A 16 -1.575 -11.885 -0.781 1.00 0.00 C ATOM 220 CE1 PHE A 16 -2.188 -13.145 -3.157 1.00 0.00 C ATOM 221 CE2 PHE A 16 -0.599 -12.593 -1.458 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.906 -13.223 -2.648 1.00 0.00 C ATOM 0 H PHE A 16 -5.297 -10.888 1.947 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.611 -12.354 -0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.437 -10.371 -1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.442 -10.390 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.159 -12.376 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.330 -11.394 0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.431 -13.639 -4.086 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.402 -12.653 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.145 -13.776 -3.180 1.00 0.00 H new ATOM 232 N GLU A 17 -4.260 -14.241 0.296 1.00 0.00 N ATOM 233 CA GLU A 17 -3.621 -15.405 0.897 1.00 0.00 C ATOM 234 C GLU A 17 -2.263 -15.672 0.254 1.00 0.00 C ATOM 235 O GLU A 17 -2.179 -16.261 -0.823 1.00 0.00 O ATOM 236 CB GLU A 17 -4.517 -16.638 0.753 1.00 0.00 C ATOM 237 CG GLU A 17 -4.162 -17.764 1.709 1.00 0.00 C ATOM 238 CD GLU A 17 -4.667 -19.112 1.236 1.00 0.00 C ATOM 239 OE1 GLU A 17 -5.896 -19.263 1.075 1.00 0.00 O ATOM 240 OE2 GLU A 17 -3.833 -20.018 1.026 1.00 0.00 O ATOM 0 H GLU A 17 -4.710 -14.422 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.468 -15.198 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.554 -16.345 0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.451 -17.007 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.079 -17.807 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.582 -17.547 2.691 1.00 0.00 H new ATOM 247 N ALA A 18 -1.202 -15.235 0.924 1.00 0.00 N ATOM 248 CA ALA A 18 0.153 -15.427 0.420 1.00 0.00 C ATOM 249 C ALA A 18 0.354 -16.853 -0.082 1.00 0.00 C ATOM 250 O ALA A 18 0.150 -17.816 0.657 1.00 0.00 O ATOM 251 CB ALA A 18 1.170 -15.098 1.503 1.00 0.00 C ATOM 0 H ALA A 18 -1.254 -14.745 1.817 1.00 0.00 H new ATOM 0 HA ALA A 18 0.302 -14.749 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.177 -15.246 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.049 -14.060 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.013 -15.753 2.360 1.00 0.00 H new ATOM 257 N ARG A 19 0.754 -16.980 -1.343 1.00 0.00 N ATOM 258 CA ARG A 19 0.981 -18.289 -1.944 1.00 0.00 C ATOM 259 C ARG A 19 2.452 -18.684 -1.847 1.00 0.00 C ATOM 260 O ARG A 19 2.777 -19.842 -1.588 1.00 0.00 O ATOM 261 CB ARG A 19 0.539 -18.284 -3.409 1.00 0.00 C ATOM 262 CG ARG A 19 -0.894 -17.820 -3.611 1.00 0.00 C ATOM 263 CD ARG A 19 -1.192 -17.557 -5.079 1.00 0.00 C ATOM 264 NE ARG A 19 -0.867 -16.187 -5.466 1.00 0.00 N ATOM 265 CZ ARG A 19 -1.300 -15.616 -6.585 1.00 0.00 C ATOM 266 NH1 ARG A 19 -2.073 -16.295 -7.422 1.00 0.00 N ATOM 267 NH2 ARG A 19 -0.961 -14.365 -6.867 1.00 0.00 N ATOM 0 H ARG A 19 0.928 -16.193 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 19 0.389 -19.021 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.205 -17.636 -3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.647 -19.289 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.580 -18.576 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.068 -16.911 -3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.622 -18.253 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.247 -17.749 -5.275 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.275 -15.638 -4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.336 -17.257 -7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.405 -15.855 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.367 -13.840 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.294 -13.928 -7.726 1.00 0.00 H new ATOM 281 N ASN A 20 3.335 -17.714 -2.056 1.00 0.00 N ATOM 282 CA ASN A 20 4.771 -17.961 -1.992 1.00 0.00 C ATOM 283 C ASN A 20 5.271 -17.901 -0.552 1.00 0.00 C ATOM 284 O ASN A 20 4.694 -17.229 0.304 1.00 0.00 O ATOM 285 CB ASN A 20 5.524 -16.939 -2.848 1.00 0.00 C ATOM 286 CG ASN A 20 4.800 -16.624 -4.142 1.00 0.00 C ATOM 287 OD1 ASN A 20 3.592 -16.384 -4.149 1.00 0.00 O ATOM 288 ND2 ASN A 20 5.536 -16.623 -5.247 1.00 0.00 N ATOM 0 H ASN A 20 3.082 -16.750 -2.271 1.00 0.00 H new ATOM 0 HA ASN A 20 4.959 -18.961 -2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.659 -16.020 -2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.519 -17.322 -3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.103 -16.418 -6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.534 -16.827 -5.195 1.00 0.00 H new ATOM 295 N PRO A 21 6.369 -18.619 -0.276 1.00 0.00 N ATOM 296 CA PRO A 21 6.972 -18.663 1.059 1.00 0.00 C ATOM 297 C PRO A 21 7.621 -17.339 1.447 1.00 0.00 C ATOM 298 O PRO A 21 7.976 -17.127 2.606 1.00 0.00 O ATOM 299 CB PRO A 21 8.030 -19.762 0.935 1.00 0.00 C ATOM 300 CG PRO A 21 8.373 -19.795 -0.514 1.00 0.00 C ATOM 301 CD PRO A 21 7.109 -19.443 -1.248 1.00 0.00 C ATOM 0 HA PRO A 21 6.230 -18.853 1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.906 -19.539 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.643 -20.724 1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.168 -19.085 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.733 -20.781 -0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.317 -18.893 -2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.547 -20.333 -1.531 1.00 0.00 H new ATOM 309 N ARG A 22 7.773 -16.452 0.469 1.00 0.00 N ATOM 310 CA ARG A 22 8.381 -15.148 0.708 1.00 0.00 C ATOM 311 C ARG A 22 7.312 -14.069 0.852 1.00 0.00 C ATOM 312 O ARG A 22 7.615 -12.923 1.185 1.00 0.00 O ATOM 313 CB ARG A 22 9.333 -14.789 -0.434 1.00 0.00 C ATOM 314 CG ARG A 22 8.634 -14.571 -1.765 1.00 0.00 C ATOM 315 CD ARG A 22 9.504 -13.780 -2.729 1.00 0.00 C ATOM 316 NE ARG A 22 8.888 -13.658 -4.048 1.00 0.00 N ATOM 317 CZ ARG A 22 9.548 -13.271 -5.134 1.00 0.00 C ATOM 318 NH1 ARG A 22 10.837 -12.973 -5.059 1.00 0.00 N ATOM 319 NH2 ARG A 22 8.917 -13.184 -6.299 1.00 0.00 N ATOM 0 H ARG A 22 7.484 -16.612 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 22 8.946 -15.203 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.880 -13.884 -0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.069 -15.585 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.383 -15.535 -2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.696 -14.041 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.686 -12.786 -2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.474 -14.268 -2.826 1.00 0.00 H new ATOM 0 HE ARG A 22 7.897 -13.882 -4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.325 -13.041 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.341 -12.676 -5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.925 -13.414 -6.360 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.424 -12.887 -7.133 1.00 0.00 H new ATOM 333 N GLU A 23 6.062 -14.443 0.599 1.00 0.00 N ATOM 334 CA GLU A 23 4.950 -13.505 0.699 1.00 0.00 C ATOM 335 C GLU A 23 4.438 -13.420 2.134 1.00 0.00 C ATOM 336 O GLU A 23 4.927 -14.120 3.022 1.00 0.00 O ATOM 337 CB GLU A 23 3.813 -13.927 -0.235 1.00 0.00 C ATOM 338 CG GLU A 23 4.024 -13.504 -1.679 1.00 0.00 C ATOM 339 CD GLU A 23 2.933 -14.014 -2.601 1.00 0.00 C ATOM 340 OE1 GLU A 23 1.853 -14.382 -2.094 1.00 0.00 O ATOM 341 OE2 GLU A 23 3.160 -14.046 -3.828 1.00 0.00 O ATOM 0 H GLU A 23 5.794 -15.388 0.324 1.00 0.00 H new ATOM 0 HA GLU A 23 5.310 -12.520 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.704 -15.011 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.878 -13.499 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.061 -12.416 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.989 -13.874 -2.025 1.00 0.00 H new ATOM 348 N LEU A 24 3.453 -12.557 2.354 1.00 0.00 N ATOM 349 CA LEU A 24 2.875 -12.378 3.682 1.00 0.00 C ATOM 350 C LEU A 24 1.354 -12.282 3.605 1.00 0.00 C ATOM 351 O LEU A 24 0.809 -11.441 2.889 1.00 0.00 O ATOM 352 CB LEU A 24 3.443 -11.121 4.342 1.00 0.00 C ATOM 353 CG LEU A 24 2.900 -10.789 5.733 1.00 0.00 C ATOM 354 CD1 LEU A 24 3.650 -11.571 6.799 1.00 0.00 C ATOM 355 CD2 LEU A 24 2.995 -9.294 6.000 1.00 0.00 C ATOM 0 H LEU A 24 3.038 -11.970 1.631 1.00 0.00 H new ATOM 0 HA LEU A 24 3.136 -13.247 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.525 -11.230 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.250 -10.272 3.686 1.00 0.00 H new ATOM 0 HG LEU A 24 1.850 -11.078 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.250 -11.322 7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.530 -12.639 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.708 -11.313 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.604 -9.076 6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.037 -8.980 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.412 -8.753 5.255 1.00 0.00 H new ATOM 367 N THR A 25 0.673 -13.149 4.349 1.00 0.00 N ATOM 368 CA THR A 25 -0.784 -13.162 4.366 1.00 0.00 C ATOM 369 C THR A 25 -1.338 -11.891 4.999 1.00 0.00 C ATOM 370 O THR A 25 -0.963 -11.527 6.114 1.00 0.00 O ATOM 371 CB THR A 25 -1.326 -14.383 5.133 1.00 0.00 C ATOM 372 OG1 THR A 25 -0.794 -15.588 4.574 1.00 0.00 O ATOM 373 CG2 THR A 25 -2.845 -14.422 5.084 1.00 0.00 C ATOM 0 H THR A 25 1.108 -13.851 4.948 1.00 0.00 H new ATOM 0 HA THR A 25 -1.112 -13.220 3.328 1.00 0.00 H new ATOM 0 HB THR A 25 -1.015 -14.298 6.174 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.142 -16.359 5.068 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.204 -15.293 5.632 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.247 -13.516 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.174 -14.485 4.047 1.00 0.00 H new ATOM 381 N VAL A 26 -2.232 -11.218 4.282 1.00 0.00 N ATOM 382 CA VAL A 26 -2.839 -9.988 4.775 1.00 0.00 C ATOM 383 C VAL A 26 -4.359 -10.042 4.663 1.00 0.00 C ATOM 384 O VAL A 26 -4.911 -10.885 3.956 1.00 0.00 O ATOM 385 CB VAL A 26 -2.322 -8.759 4.005 1.00 0.00 C ATOM 386 CG1 VAL A 26 -0.811 -8.644 4.135 1.00 0.00 C ATOM 387 CG2 VAL A 26 -2.736 -8.834 2.543 1.00 0.00 C ATOM 0 H VAL A 26 -2.552 -11.504 3.357 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.558 -9.895 5.824 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.769 -7.865 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.464 -7.770 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.543 -8.540 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.342 -9.539 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.362 -7.958 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.319 -9.735 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.823 -8.863 2.474 1.00 0.00 H new ATOM 397 N VAL A 27 -5.031 -9.136 5.366 1.00 0.00 N ATOM 398 CA VAL A 27 -6.488 -9.079 5.345 1.00 0.00 C ATOM 399 C VAL A 27 -6.978 -7.659 5.084 1.00 0.00 C ATOM 400 O VAL A 27 -6.261 -6.689 5.330 1.00 0.00 O ATOM 401 CB VAL A 27 -7.088 -9.581 6.671 1.00 0.00 C ATOM 402 CG1 VAL A 27 -6.666 -11.018 6.938 1.00 0.00 C ATOM 403 CG2 VAL A 27 -6.676 -8.674 7.820 1.00 0.00 C ATOM 0 H VAL A 27 -4.590 -8.431 5.957 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.819 -9.730 4.535 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.175 -9.555 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.100 -11.356 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.017 -11.657 6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.579 -11.073 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.109 -9.044 8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.589 -8.665 7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.034 -7.662 7.631 1.00 0.00 H new ATOM 413 N GLN A 28 -8.204 -7.545 4.583 1.00 0.00 N ATOM 414 CA GLN A 28 -8.790 -6.243 4.288 1.00 0.00 C ATOM 415 C GLN A 28 -8.937 -5.411 5.558 1.00 0.00 C ATOM 416 O GLN A 28 -9.251 -5.939 6.625 1.00 0.00 O ATOM 417 CB GLN A 28 -10.154 -6.414 3.616 1.00 0.00 C ATOM 418 CG GLN A 28 -10.921 -5.112 3.457 1.00 0.00 C ATOM 419 CD GLN A 28 -11.725 -4.753 4.692 1.00 0.00 C ATOM 420 OE1 GLN A 28 -11.523 -3.698 5.293 1.00 0.00 O ATOM 421 NE2 GLN A 28 -12.643 -5.632 5.077 1.00 0.00 N ATOM 0 H GLN A 28 -8.810 -8.338 4.373 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.120 -5.718 3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.012 -6.865 2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.754 -7.110 4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.220 -4.306 3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.592 -5.192 2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.777 -6.494 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.214 -5.445 5.901 1.00 0.00 H new ATOM 430 N GLY A 29 -8.707 -4.107 5.436 1.00 0.00 N ATOM 431 CA GLY A 29 -8.818 -3.224 6.582 1.00 0.00 C ATOM 432 C GLY A 29 -7.512 -3.090 7.340 1.00 0.00 C ATOM 433 O GLY A 29 -7.170 -2.007 7.814 1.00 0.00 O ATOM 0 H GLY A 29 -8.446 -3.647 4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.143 -2.239 6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.588 -3.602 7.255 1.00 0.00 H new ATOM 437 N GLU A 30 -6.781 -4.195 7.457 1.00 0.00 N ATOM 438 CA GLU A 30 -5.507 -4.196 8.165 1.00 0.00 C ATOM 439 C GLU A 30 -4.599 -3.081 7.652 1.00 0.00 C ATOM 440 O GLU A 30 -4.656 -2.707 6.481 1.00 0.00 O ATOM 441 CB GLU A 30 -4.811 -5.549 8.006 1.00 0.00 C ATOM 442 CG GLU A 30 -3.313 -5.497 8.258 1.00 0.00 C ATOM 443 CD GLU A 30 -2.692 -6.875 8.374 1.00 0.00 C ATOM 444 OE1 GLU A 30 -2.785 -7.650 7.399 1.00 0.00 O ATOM 445 OE2 GLU A 30 -2.114 -7.179 9.438 1.00 0.00 O ATOM 0 H GLU A 30 -7.050 -5.100 7.071 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.708 -4.021 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.262 -6.263 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.988 -5.923 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.831 -4.953 7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.122 -4.938 9.174 1.00 0.00 H new ATOM 452 N LYS A 31 -3.761 -2.554 8.539 1.00 0.00 N ATOM 453 CA LYS A 31 -2.840 -1.483 8.179 1.00 0.00 C ATOM 454 C LYS A 31 -1.414 -2.011 8.056 1.00 0.00 C ATOM 455 O LYS A 31 -0.971 -2.827 8.865 1.00 0.00 O ATOM 456 CB LYS A 31 -2.893 -0.364 9.222 1.00 0.00 C ATOM 457 CG LYS A 31 -4.235 -0.251 9.924 1.00 0.00 C ATOM 458 CD LYS A 31 -4.464 1.150 10.465 1.00 0.00 C ATOM 459 CE LYS A 31 -5.021 2.076 9.395 1.00 0.00 C ATOM 460 NZ LYS A 31 -5.529 3.351 9.974 1.00 0.00 N ATOM 0 H LYS A 31 -3.701 -2.852 9.513 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.146 -1.084 7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.116 -0.536 9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.665 0.585 8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.034 -0.509 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.281 -0.970 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.155 1.108 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.525 1.553 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.243 2.294 8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.828 1.572 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.916 3.947 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.277 3.144 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.750 3.853 10.446 1.00 0.00 H new ATOM 474 N LEU A 32 -0.699 -1.538 7.041 1.00 0.00 N ATOM 475 CA LEU A 32 0.679 -1.961 6.813 1.00 0.00 C ATOM 476 C LEU A 32 1.534 -0.794 6.331 1.00 0.00 C ATOM 477 O LEU A 32 1.015 0.200 5.825 1.00 0.00 O ATOM 478 CB LEU A 32 0.721 -3.097 5.788 1.00 0.00 C ATOM 479 CG LEU A 32 -0.181 -4.297 6.078 1.00 0.00 C ATOM 480 CD1 LEU A 32 -0.382 -5.129 4.822 1.00 0.00 C ATOM 481 CD2 LEU A 32 0.405 -5.147 7.196 1.00 0.00 C ATOM 0 H LEU A 32 -1.050 -0.862 6.363 1.00 0.00 H new ATOM 0 HA LEU A 32 1.085 -2.318 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.449 -2.691 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.749 -3.451 5.710 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.153 -3.927 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.026 -5.979 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.847 -4.516 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.583 -5.490 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.250 -5.996 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.390 -5.508 6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.496 -4.546 8.101 1.00 0.00 H new ATOM 493 N GLU A 33 2.848 -0.924 6.490 1.00 0.00 N ATOM 494 CA GLU A 33 3.774 0.120 6.069 1.00 0.00 C ATOM 495 C GLU A 33 4.565 -0.317 4.839 1.00 0.00 C ATOM 496 O GLU A 33 5.373 -1.244 4.904 1.00 0.00 O ATOM 497 CB GLU A 33 4.735 0.469 7.208 1.00 0.00 C ATOM 498 CG GLU A 33 5.994 1.182 6.745 1.00 0.00 C ATOM 499 CD GLU A 33 6.778 1.786 7.894 1.00 0.00 C ATOM 500 OE1 GLU A 33 6.976 1.088 8.910 1.00 0.00 O ATOM 501 OE2 GLU A 33 7.193 2.958 7.777 1.00 0.00 O ATOM 0 H GLU A 33 3.294 -1.741 6.907 1.00 0.00 H new ATOM 0 HA GLU A 33 3.191 1.004 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.216 1.099 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.017 -0.447 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.629 0.478 6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.723 1.969 6.041 1.00 0.00 H new ATOM 508 N VAL A 34 4.325 0.356 3.719 1.00 0.00 N ATOM 509 CA VAL A 34 5.013 0.039 2.473 1.00 0.00 C ATOM 510 C VAL A 34 6.508 0.320 2.585 1.00 0.00 C ATOM 511 O VAL A 34 6.929 1.219 3.314 1.00 0.00 O ATOM 512 CB VAL A 34 4.438 0.843 1.293 1.00 0.00 C ATOM 513 CG1 VAL A 34 5.009 0.341 -0.025 1.00 0.00 C ATOM 514 CG2 VAL A 34 2.919 0.768 1.288 1.00 0.00 C ATOM 0 H VAL A 34 3.659 1.125 3.648 1.00 0.00 H new ATOM 0 HA VAL A 34 4.858 -1.024 2.287 1.00 0.00 H new ATOM 0 HB VAL A 34 4.727 1.887 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.591 0.921 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.093 0.452 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.752 -0.710 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.529 1.342 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.606 -0.272 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.531 1.180 2.220 1.00 0.00 H new ATOM 524 N LEU A 35 7.305 -0.455 1.858 1.00 0.00 N ATOM 525 CA LEU A 35 8.755 -0.290 1.874 1.00 0.00 C ATOM 526 C LEU A 35 9.305 -0.172 0.456 1.00 0.00 C ATOM 527 O LEU A 35 10.147 0.681 0.175 1.00 0.00 O ATOM 528 CB LEU A 35 9.414 -1.468 2.593 1.00 0.00 C ATOM 529 CG LEU A 35 9.073 -1.626 4.075 1.00 0.00 C ATOM 530 CD1 LEU A 35 9.188 -3.082 4.497 1.00 0.00 C ATOM 531 CD2 LEU A 35 9.978 -0.748 4.927 1.00 0.00 C ATOM 0 H LEU A 35 6.972 -1.204 1.250 1.00 0.00 H new ATOM 0 HA LEU A 35 8.986 0.630 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.133 -2.386 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.495 -1.367 2.498 1.00 0.00 H new ATOM 0 HG LEU A 35 8.042 -1.306 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.942 -3.175 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.498 -3.687 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.207 -3.430 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.721 -0.873 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.017 -1.037 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.845 0.296 4.643 1.00 0.00 H new ATOM 543 N ASP A 36 8.822 -1.032 -0.434 1.00 0.00 N ATOM 544 CA ASP A 36 9.263 -1.023 -1.824 1.00 0.00 C ATOM 545 C ASP A 36 8.069 -0.999 -2.772 1.00 0.00 C ATOM 546 O ASP A 36 7.506 -2.043 -3.105 1.00 0.00 O ATOM 547 CB ASP A 36 10.136 -2.245 -2.112 1.00 0.00 C ATOM 548 CG ASP A 36 11.124 -1.999 -3.235 1.00 0.00 C ATOM 549 OD1 ASP A 36 12.029 -1.158 -3.054 1.00 0.00 O ATOM 550 OD2 ASP A 36 10.993 -2.646 -4.295 1.00 0.00 O ATOM 0 H ASP A 36 8.125 -1.744 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 36 9.851 -0.120 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.679 -2.521 -1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.499 -3.090 -2.371 1.00 0.00 H new ATOM 555 N HIS A 37 7.686 0.198 -3.204 1.00 0.00 N ATOM 556 CA HIS A 37 6.558 0.358 -4.114 1.00 0.00 C ATOM 557 C HIS A 37 7.040 0.687 -5.524 1.00 0.00 C ATOM 558 O HIS A 37 6.468 1.540 -6.203 1.00 0.00 O ATOM 559 CB HIS A 37 5.622 1.459 -3.613 1.00 0.00 C ATOM 560 CG HIS A 37 6.234 2.826 -3.646 1.00 0.00 C ATOM 561 ND1 HIS A 37 5.783 3.833 -4.473 1.00 0.00 N ATOM 562 CD2 HIS A 37 7.267 3.350 -2.946 1.00 0.00 C ATOM 563 CE1 HIS A 37 6.513 4.917 -4.281 1.00 0.00 C ATOM 564 NE2 HIS A 37 7.420 4.651 -3.359 1.00 0.00 N ATOM 0 H HIS A 37 8.140 1.072 -2.938 1.00 0.00 H new ATOM 0 HA HIS A 37 6.013 -0.585 -4.146 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.717 1.460 -4.221 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.319 1.230 -2.591 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.860 2.840 -2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.389 5.861 -4.791 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.120 5.305 -3.010 1.00 0.00 H new ATOM 573 N SER A 38 8.095 0.005 -5.958 1.00 0.00 N ATOM 574 CA SER A 38 8.656 0.227 -7.285 1.00 0.00 C ATOM 575 C SER A 38 8.272 -0.904 -8.235 1.00 0.00 C ATOM 576 O SER A 38 7.545 -0.695 -9.206 1.00 0.00 O ATOM 577 CB SER A 38 10.179 0.345 -7.204 1.00 0.00 C ATOM 578 OG SER A 38 10.729 0.724 -8.455 1.00 0.00 O ATOM 0 H SER A 38 8.579 -0.706 -5.410 1.00 0.00 H new ATOM 0 HA SER A 38 8.246 1.159 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.450 1.080 -6.446 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.605 -0.608 -6.890 1.00 0.00 H new ATOM 0 HG SER A 38 11.703 0.794 -8.376 1.00 0.00 H new ATOM 584 N LYS A 39 8.765 -2.103 -7.946 1.00 0.00 N ATOM 585 CA LYS A 39 8.474 -3.269 -8.772 1.00 0.00 C ATOM 586 C LYS A 39 6.983 -3.587 -8.758 1.00 0.00 C ATOM 587 O LYS A 39 6.246 -3.117 -7.890 1.00 0.00 O ATOM 588 CB LYS A 39 9.269 -4.480 -8.278 1.00 0.00 C ATOM 589 CG LYS A 39 10.676 -4.556 -8.844 1.00 0.00 C ATOM 590 CD LYS A 39 10.674 -5.061 -10.277 1.00 0.00 C ATOM 591 CE LYS A 39 12.006 -4.798 -10.963 1.00 0.00 C ATOM 592 NZ LYS A 39 12.192 -5.660 -12.163 1.00 0.00 N ATOM 0 H LYS A 39 9.368 -2.293 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 39 8.769 -3.041 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.325 -4.448 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.730 -5.390 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.138 -3.570 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.283 -5.217 -8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.464 -6.130 -10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.874 -4.574 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.062 -3.750 -11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.819 -4.976 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.111 -5.450 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.164 -6.660 -11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.431 -5.472 -12.847 1.00 0.00 H new ATOM 606 N ARG A 40 6.544 -4.388 -9.723 1.00 0.00 N ATOM 607 CA ARG A 40 5.140 -4.769 -9.821 1.00 0.00 C ATOM 608 C ARG A 40 4.524 -4.935 -8.435 1.00 0.00 C ATOM 609 O ARG A 40 3.648 -4.166 -8.038 1.00 0.00 O ATOM 610 CB ARG A 40 4.996 -6.069 -10.614 1.00 0.00 C ATOM 611 CG ARG A 40 3.684 -6.177 -11.373 1.00 0.00 C ATOM 612 CD ARG A 40 3.813 -7.091 -12.582 1.00 0.00 C ATOM 613 NE ARG A 40 4.323 -6.381 -13.753 1.00 0.00 N ATOM 614 CZ ARG A 40 3.578 -5.584 -14.510 1.00 0.00 C ATOM 615 NH1 ARG A 40 2.298 -5.395 -14.222 1.00 0.00 N ATOM 616 NH2 ARG A 40 4.114 -4.973 -15.559 1.00 0.00 N ATOM 0 H ARG A 40 7.140 -4.786 -10.448 1.00 0.00 H new ATOM 0 HA ARG A 40 4.609 -3.973 -10.343 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.822 -6.147 -11.321 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.081 -6.913 -9.930 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.908 -6.558 -10.709 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.367 -5.186 -11.697 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.480 -7.919 -12.341 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.840 -7.523 -12.815 1.00 0.00 H new ATOM 0 HE ARG A 40 5.304 -6.504 -14.002 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.882 -5.863 -13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.729 -4.782 -14.806 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.099 -5.116 -15.784 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.541 -4.361 -16.140 1.00 0.00 H new ATOM 630 N TRP A 41 4.986 -5.943 -7.705 1.00 0.00 N ATOM 631 CA TRP A 41 4.480 -6.210 -6.363 1.00 0.00 C ATOM 632 C TRP A 41 5.089 -5.247 -5.350 1.00 0.00 C ATOM 633 O TRP A 41 6.243 -4.839 -5.484 1.00 0.00 O ATOM 634 CB TRP A 41 4.783 -7.654 -5.960 1.00 0.00 C ATOM 635 CG TRP A 41 3.820 -8.647 -6.536 1.00 0.00 C ATOM 636 CD1 TRP A 41 3.587 -8.889 -7.860 1.00 0.00 C ATOM 637 CD2 TRP A 41 2.959 -9.528 -5.807 1.00 0.00 C ATOM 638 NE1 TRP A 41 2.633 -9.869 -7.998 1.00 0.00 N ATOM 639 CE2 TRP A 41 2.232 -10.278 -6.753 1.00 0.00 C ATOM 640 CE3 TRP A 41 2.732 -9.759 -4.448 1.00 0.00 C ATOM 641 CZ2 TRP A 41 1.296 -11.239 -6.381 1.00 0.00 C ATOM 642 CZ3 TRP A 41 1.803 -10.713 -4.080 1.00 0.00 C ATOM 643 CH2 TRP A 41 1.094 -11.444 -5.043 1.00 0.00 C ATOM 0 H TRP A 41 5.710 -6.589 -8.019 1.00 0.00 H new ATOM 0 HA TRP A 41 3.400 -6.062 -6.372 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.793 -7.909 -6.282 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.766 -7.731 -4.873 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.080 -8.385 -8.678 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.281 -10.233 -8.883 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.273 -9.201 -3.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.749 -11.803 -7.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.620 -10.899 -3.032 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.375 -12.183 -4.723 1.00 0.00 H new ATOM 654 N TRP A 42 4.308 -4.889 -4.338 1.00 0.00 N ATOM 655 CA TRP A 42 4.771 -3.974 -3.301 1.00 0.00 C ATOM 656 C TRP A 42 5.157 -4.734 -2.037 1.00 0.00 C ATOM 657 O TRP A 42 4.545 -5.748 -1.699 1.00 0.00 O ATOM 658 CB TRP A 42 3.688 -2.942 -2.981 1.00 0.00 C ATOM 659 CG TRP A 42 3.445 -1.971 -4.096 1.00 0.00 C ATOM 660 CD1 TRP A 42 3.622 -2.194 -5.431 1.00 0.00 C ATOM 661 CD2 TRP A 42 2.983 -0.621 -3.971 1.00 0.00 C ATOM 662 NE1 TRP A 42 3.298 -1.066 -6.144 1.00 0.00 N ATOM 663 CE2 TRP A 42 2.901 -0.087 -5.271 1.00 0.00 C ATOM 664 CE3 TRP A 42 2.627 0.186 -2.887 1.00 0.00 C ATOM 665 CZ2 TRP A 42 2.481 1.218 -5.515 1.00 0.00 C ATOM 666 CZ3 TRP A 42 2.210 1.481 -3.130 1.00 0.00 C ATOM 667 CH2 TRP A 42 2.139 1.987 -4.435 1.00 0.00 C ATOM 0 H TRP A 42 3.351 -5.218 -4.213 1.00 0.00 H new ATOM 0 HA TRP A 42 5.655 -3.457 -3.675 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.758 -3.461 -2.752 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.974 -2.391 -2.085 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.966 -3.122 -5.863 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.345 -0.972 -7.159 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.677 -0.195 -1.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.427 1.610 -6.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.934 2.114 -2.300 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.808 3.003 -4.592 1.00 0.00 H new ATOM 678 N LEU A 43 6.175 -4.238 -1.341 1.00 0.00 N ATOM 679 CA LEU A 43 6.642 -4.871 -0.113 1.00 0.00 C ATOM 680 C LEU A 43 6.171 -4.095 1.113 1.00 0.00 C ATOM 681 O LEU A 43 6.459 -2.907 1.257 1.00 0.00 O ATOM 682 CB LEU A 43 8.169 -4.967 -0.114 1.00 0.00 C ATOM 683 CG LEU A 43 8.822 -5.293 1.230 1.00 0.00 C ATOM 684 CD1 LEU A 43 8.852 -6.796 1.458 1.00 0.00 C ATOM 685 CD2 LEU A 43 10.227 -4.714 1.294 1.00 0.00 C ATOM 0 H LEU A 43 6.692 -3.400 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 43 6.221 -5.875 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.465 -5.731 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.572 -4.019 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 43 8.227 -4.838 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.320 -7.009 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.834 -7.185 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.424 -7.273 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.677 -4.956 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.833 -5.140 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.180 -3.631 1.177 1.00 0.00 H new ATOM 697 N VAL A 44 5.445 -4.775 1.995 1.00 0.00 N ATOM 698 CA VAL A 44 4.937 -4.151 3.211 1.00 0.00 C ATOM 699 C VAL A 44 5.295 -4.974 4.443 1.00 0.00 C ATOM 700 O VAL A 44 5.710 -6.128 4.333 1.00 0.00 O ATOM 701 CB VAL A 44 3.408 -3.972 3.152 1.00 0.00 C ATOM 702 CG1 VAL A 44 3.009 -3.181 1.916 1.00 0.00 C ATOM 703 CG2 VAL A 44 2.713 -5.324 3.177 1.00 0.00 C ATOM 0 H VAL A 44 5.195 -5.758 1.890 1.00 0.00 H new ATOM 0 HA VAL A 44 5.408 -3.171 3.285 1.00 0.00 H new ATOM 0 HB VAL A 44 3.092 -3.410 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.925 -3.065 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.478 -2.198 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.337 -3.712 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.634 -5.179 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.034 -5.914 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.973 -5.850 4.096 1.00 0.00 H new ATOM 713 N LYS A 45 5.131 -4.374 5.617 1.00 0.00 N ATOM 714 CA LYS A 45 5.434 -5.051 6.872 1.00 0.00 C ATOM 715 C LYS A 45 4.262 -4.949 7.842 1.00 0.00 C ATOM 716 O LYS A 45 3.477 -4.003 7.785 1.00 0.00 O ATOM 717 CB LYS A 45 6.690 -4.452 7.508 1.00 0.00 C ATOM 718 CG LYS A 45 7.471 -5.438 8.359 1.00 0.00 C ATOM 719 CD LYS A 45 8.943 -5.070 8.431 1.00 0.00 C ATOM 720 CE LYS A 45 9.187 -3.935 9.414 1.00 0.00 C ATOM 721 NZ LYS A 45 10.588 -3.931 9.919 1.00 0.00 N ATOM 0 H LYS A 45 4.789 -3.419 5.725 1.00 0.00 H new ATOM 0 HA LYS A 45 5.612 -6.104 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.340 -4.071 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.404 -3.600 8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.052 -5.463 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.366 -6.441 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.523 -5.943 8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.295 -4.778 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.973 -2.982 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.498 -4.027 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.714 -3.143 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.785 -4.830 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.245 -3.817 9.120 1.00 0.00 H new ATOM 735 N ASN A 46 4.151 -5.928 8.734 1.00 0.00 N ATOM 736 CA ASN A 46 3.075 -5.947 9.719 1.00 0.00 C ATOM 737 C ASN A 46 3.609 -5.642 11.115 1.00 0.00 C ATOM 738 O ASN A 46 4.819 -5.541 11.318 1.00 0.00 O ATOM 739 CB ASN A 46 2.376 -7.308 9.714 1.00 0.00 C ATOM 740 CG ASN A 46 3.040 -8.302 10.646 1.00 0.00 C ATOM 741 OD1 ASN A 46 2.549 -8.565 11.744 1.00 0.00 O ATOM 742 ND2 ASN A 46 4.163 -8.862 10.211 1.00 0.00 N ATOM 0 H ASN A 46 4.793 -6.718 8.795 1.00 0.00 H new ATOM 0 HA ASN A 46 2.355 -5.175 9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.334 -7.179 10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.375 -7.709 8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.654 -9.540 10.794 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.534 -8.615 9.294 1.00 0.00 H new ATOM 749 N GLU A 47 2.699 -5.498 12.073 1.00 0.00 N ATOM 750 CA GLU A 47 3.079 -5.204 13.449 1.00 0.00 C ATOM 751 C GLU A 47 4.079 -6.234 13.969 1.00 0.00 C ATOM 752 O GLU A 47 5.137 -5.880 14.487 1.00 0.00 O ATOM 753 CB GLU A 47 1.842 -5.179 14.349 1.00 0.00 C ATOM 754 CG GLU A 47 1.187 -3.812 14.446 1.00 0.00 C ATOM 755 CD GLU A 47 0.345 -3.655 15.698 1.00 0.00 C ATOM 756 OE1 GLU A 47 -0.838 -4.052 15.671 1.00 0.00 O ATOM 757 OE2 GLU A 47 0.871 -3.136 16.705 1.00 0.00 O ATOM 0 H GLU A 47 1.694 -5.580 11.921 1.00 0.00 H new ATOM 0 HA GLU A 47 3.552 -4.222 13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.113 -5.896 13.970 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.124 -5.509 15.349 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.958 -3.042 14.433 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.560 -3.651 13.569 1.00 0.00 H new ATOM 764 N ALA A 48 3.734 -7.509 13.826 1.00 0.00 N ATOM 765 CA ALA A 48 4.600 -8.590 14.279 1.00 0.00 C ATOM 766 C ALA A 48 6.054 -8.323 13.904 1.00 0.00 C ATOM 767 O ALA A 48 6.968 -8.613 14.674 1.00 0.00 O ATOM 768 CB ALA A 48 4.138 -9.917 13.696 1.00 0.00 C ATOM 0 H ALA A 48 2.861 -7.819 13.400 1.00 0.00 H new ATOM 0 HA ALA A 48 4.536 -8.642 15.366 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.794 -10.715 14.043 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.117 -10.121 14.019 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.171 -9.868 12.608 1.00 0.00 H new ATOM 774 N GLY A 49 6.260 -7.768 12.713 1.00 0.00 N ATOM 775 CA GLY A 49 7.605 -7.472 12.256 1.00 0.00 C ATOM 776 C GLY A 49 8.010 -8.313 11.062 1.00 0.00 C ATOM 777 O GLY A 49 9.195 -8.574 10.851 1.00 0.00 O ATOM 0 H GLY A 49 5.520 -7.518 12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.672 -6.416 11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.308 -7.642 13.071 1.00 0.00 H new ATOM 781 N ARG A 50 7.024 -8.742 10.280 1.00 0.00 N ATOM 782 CA ARG A 50 7.284 -9.562 9.103 1.00 0.00 C ATOM 783 C ARG A 50 6.950 -8.799 7.824 1.00 0.00 C ATOM 784 O ARG A 50 5.868 -8.227 7.696 1.00 0.00 O ATOM 785 CB ARG A 50 6.470 -10.855 9.166 1.00 0.00 C ATOM 786 CG ARG A 50 7.062 -11.904 10.094 1.00 0.00 C ATOM 787 CD ARG A 50 6.614 -13.305 9.709 1.00 0.00 C ATOM 788 NE ARG A 50 7.521 -13.925 8.746 1.00 0.00 N ATOM 789 CZ ARG A 50 7.400 -15.178 8.324 1.00 0.00 C ATOM 790 NH1 ARG A 50 6.415 -15.942 8.777 1.00 0.00 N ATOM 791 NH2 ARG A 50 8.265 -15.671 7.447 1.00 0.00 N ATOM 0 H ARG A 50 6.038 -8.535 10.441 1.00 0.00 H new ATOM 0 HA ARG A 50 8.345 -9.810 9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.458 -10.621 9.495 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.390 -11.273 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.150 -11.847 10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.762 -11.694 11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.556 -13.925 10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.611 -13.261 9.286 1.00 0.00 H new ATOM 0 HE ARG A 50 8.289 -13.364 8.378 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.748 -15.567 9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.325 -16.904 8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.024 -15.087 7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.171 -16.634 7.124 1.00 0.00 H new ATOM 805 N SER A 51 7.887 -8.796 6.881 1.00 0.00 N ATOM 806 CA SER A 51 7.693 -8.100 5.615 1.00 0.00 C ATOM 807 C SER A 51 7.479 -9.093 4.476 1.00 0.00 C ATOM 808 O SER A 51 8.229 -10.057 4.330 1.00 0.00 O ATOM 809 CB SER A 51 8.899 -7.209 5.309 1.00 0.00 C ATOM 810 OG SER A 51 10.114 -7.883 5.583 1.00 0.00 O ATOM 0 H SER A 51 8.787 -9.267 6.970 1.00 0.00 H new ATOM 0 HA SER A 51 6.803 -7.478 5.704 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.875 -6.907 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.843 -6.298 5.905 1.00 0.00 H new ATOM 0 HG SER A 51 10.869 -7.293 5.378 1.00 0.00 H new ATOM 816 N GLY A 52 6.448 -8.849 3.673 1.00 0.00 N ATOM 817 CA GLY A 52 6.152 -9.730 2.558 1.00 0.00 C ATOM 818 C GLY A 52 5.859 -8.970 1.280 1.00 0.00 C ATOM 819 O GLY A 52 6.103 -7.766 1.196 1.00 0.00 O ATOM 0 H GLY A 52 5.813 -8.057 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.997 -10.399 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.295 -10.355 2.810 1.00 0.00 H new ATOM 823 N TYR A 53 5.335 -9.673 0.282 1.00 0.00 N ATOM 824 CA TYR A 53 5.012 -9.057 -1.000 1.00 0.00 C ATOM 825 C TYR A 53 3.529 -9.215 -1.321 1.00 0.00 C ATOM 826 O TYR A 53 3.021 -10.331 -1.427 1.00 0.00 O ATOM 827 CB TYR A 53 5.856 -9.677 -2.114 1.00 0.00 C ATOM 828 CG TYR A 53 7.336 -9.405 -1.976 1.00 0.00 C ATOM 829 CD1 TYR A 53 7.858 -8.144 -2.239 1.00 0.00 C ATOM 830 CD2 TYR A 53 8.214 -10.408 -1.584 1.00 0.00 C ATOM 831 CE1 TYR A 53 9.210 -7.890 -2.114 1.00 0.00 C ATOM 832 CE2 TYR A 53 9.567 -10.163 -1.456 1.00 0.00 C ATOM 833 CZ TYR A 53 10.061 -8.903 -1.722 1.00 0.00 C ATOM 834 OH TYR A 53 11.409 -8.655 -1.597 1.00 0.00 O ATOM 0 H TYR A 53 5.125 -10.670 0.336 1.00 0.00 H new ATOM 0 HA TYR A 53 5.239 -7.993 -0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.693 -10.755 -2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.513 -9.293 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.195 -7.349 -2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.832 -11.396 -1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.599 -6.904 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.235 -10.954 -1.149 1.00 0.00 H new ATOM 0 HH TYR A 53 11.867 -9.473 -1.312 1.00 0.00 H new ATOM 844 N ILE A 54 2.841 -8.089 -1.476 1.00 0.00 N ATOM 845 CA ILE A 54 1.417 -8.101 -1.787 1.00 0.00 C ATOM 846 C ILE A 54 1.121 -7.280 -3.038 1.00 0.00 C ATOM 847 O ILE A 54 1.821 -6.320 -3.361 1.00 0.00 O ATOM 848 CB ILE A 54 0.580 -7.552 -0.616 1.00 0.00 C ATOM 849 CG1 ILE A 54 0.864 -6.062 -0.412 1.00 0.00 C ATOM 850 CG2 ILE A 54 0.874 -8.332 0.656 1.00 0.00 C ATOM 851 CD1 ILE A 54 -0.076 -5.396 0.568 1.00 0.00 C ATOM 0 H ILE A 54 3.247 -7.157 -1.391 1.00 0.00 H new ATOM 0 HA ILE A 54 1.141 -9.141 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.476 -7.671 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.888 -5.941 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.795 -5.552 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.275 -7.932 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.626 -9.383 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.932 -8.241 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.184 -4.342 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.101 -5.486 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.010 -5.880 1.541 1.00 0.00 H new ATOM 863 N PRO A 55 0.057 -7.664 -3.759 1.00 0.00 N ATOM 864 CA PRO A 55 -0.359 -6.975 -4.985 1.00 0.00 C ATOM 865 C PRO A 55 -0.925 -5.587 -4.707 1.00 0.00 C ATOM 866 O PRO A 55 -1.927 -5.444 -4.007 1.00 0.00 O ATOM 867 CB PRO A 55 -1.444 -7.891 -5.555 1.00 0.00 C ATOM 868 CG PRO A 55 -1.982 -8.623 -4.374 1.00 0.00 C ATOM 869 CD PRO A 55 -0.823 -8.799 -3.433 1.00 0.00 C ATOM 0 HA PRO A 55 0.478 -6.809 -5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.225 -7.317 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.033 -8.579 -6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.787 -8.061 -3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.396 -9.588 -4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.143 -8.773 -2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.321 -9.754 -3.588 1.00 0.00 H new ATOM 877 N SER A 56 -0.277 -4.567 -5.259 1.00 0.00 N ATOM 878 CA SER A 56 -0.714 -3.189 -5.067 1.00 0.00 C ATOM 879 C SER A 56 -2.221 -3.064 -5.271 1.00 0.00 C ATOM 880 O SER A 56 -2.848 -2.124 -4.785 1.00 0.00 O ATOM 881 CB SER A 56 0.021 -2.259 -6.034 1.00 0.00 C ATOM 882 OG SER A 56 -0.381 -0.912 -5.852 1.00 0.00 O ATOM 0 H SER A 56 0.553 -4.669 -5.843 1.00 0.00 H new ATOM 0 HA SER A 56 -0.477 -2.898 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.097 -2.345 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.179 -2.566 -7.061 1.00 0.00 H new ATOM 0 HG SER A 56 0.409 -0.353 -5.697 1.00 0.00 H new ATOM 888 N ASN A 57 -2.795 -4.021 -5.993 1.00 0.00 N ATOM 889 CA ASN A 57 -4.229 -4.019 -6.262 1.00 0.00 C ATOM 890 C ASN A 57 -5.026 -3.959 -4.963 1.00 0.00 C ATOM 891 O ASN A 57 -6.020 -3.239 -4.866 1.00 0.00 O ATOM 892 CB ASN A 57 -4.621 -5.266 -7.057 1.00 0.00 C ATOM 893 CG ASN A 57 -6.117 -5.358 -7.288 1.00 0.00 C ATOM 894 OD1 ASN A 57 -6.817 -4.345 -7.302 1.00 0.00 O ATOM 895 ND2 ASN A 57 -6.614 -6.575 -7.471 1.00 0.00 N ATOM 0 H ASN A 57 -2.290 -4.807 -6.402 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.462 -3.132 -6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.108 -5.257 -8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.283 -6.155 -6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.614 -6.699 -7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.996 -7.386 -7.451 1.00 0.00 H new ATOM 902 N ILE A 58 -4.583 -4.719 -3.968 1.00 0.00 N ATOM 903 CA ILE A 58 -5.254 -4.751 -2.674 1.00 0.00 C ATOM 904 C ILE A 58 -4.669 -3.710 -1.725 1.00 0.00 C ATOM 905 O ILE A 58 -4.621 -3.917 -0.512 1.00 0.00 O ATOM 906 CB ILE A 58 -5.150 -6.141 -2.020 1.00 0.00 C ATOM 907 CG1 ILE A 58 -3.703 -6.433 -1.619 1.00 0.00 C ATOM 908 CG2 ILE A 58 -5.669 -7.212 -2.967 1.00 0.00 C ATOM 909 CD1 ILE A 58 -3.563 -7.606 -0.673 1.00 0.00 C ATOM 0 H ILE A 58 -3.762 -5.321 -4.033 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.304 -4.523 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.765 -6.150 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.118 -6.629 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.278 -5.546 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.589 -8.189 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.713 -7.010 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.078 -7.205 -3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.511 -7.755 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.120 -7.404 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.957 -8.505 -1.147 1.00 0.00 H new ATOM 921 N LEU A 59 -4.225 -2.590 -2.286 1.00 0.00 N ATOM 922 CA LEU A 59 -3.644 -1.515 -1.490 1.00 0.00 C ATOM 923 C LEU A 59 -4.217 -0.162 -1.902 1.00 0.00 C ATOM 924 O LEU A 59 -4.549 0.052 -3.067 1.00 0.00 O ATOM 925 CB LEU A 59 -2.122 -1.505 -1.643 1.00 0.00 C ATOM 926 CG LEU A 59 -1.354 -2.504 -0.777 1.00 0.00 C ATOM 927 CD1 LEU A 59 0.145 -2.337 -0.971 1.00 0.00 C ATOM 928 CD2 LEU A 59 -1.726 -2.335 0.689 1.00 0.00 C ATOM 0 H LEU A 59 -4.256 -2.403 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.896 -1.693 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.881 -1.700 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.760 -0.503 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.630 -3.512 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.675 -3.056 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.398 -2.509 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.438 -1.326 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.170 -3.054 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.480 -1.324 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.795 -2.506 0.815 1.00 0.00 H new ATOM 940 N GLU A 60 -4.326 0.747 -0.938 1.00 0.00 N ATOM 941 CA GLU A 60 -4.857 2.079 -1.202 1.00 0.00 C ATOM 942 C GLU A 60 -4.347 3.082 -0.172 1.00 0.00 C ATOM 943 O GLU A 60 -4.008 2.731 0.959 1.00 0.00 O ATOM 944 CB GLU A 60 -6.387 2.054 -1.192 1.00 0.00 C ATOM 945 CG GLU A 60 -7.000 1.772 -2.554 1.00 0.00 C ATOM 946 CD GLU A 60 -6.587 2.787 -3.601 1.00 0.00 C ATOM 947 OE1 GLU A 60 -7.231 3.854 -3.681 1.00 0.00 O ATOM 948 OE2 GLU A 60 -5.618 2.514 -4.341 1.00 0.00 O ATOM 0 H GLU A 60 -4.054 0.585 0.032 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.513 2.390 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.725 1.295 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.755 3.013 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.704 0.776 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.086 1.768 -2.466 1.00 0.00 H new ATOM 955 N PRO A 61 -4.291 4.362 -0.569 1.00 0.00 N ATOM 956 CA PRO A 61 -3.824 5.443 0.304 1.00 0.00 C ATOM 957 C PRO A 61 -4.801 5.736 1.437 1.00 0.00 C ATOM 958 O PRO A 61 -5.757 6.494 1.266 1.00 0.00 O ATOM 959 CB PRO A 61 -3.724 6.644 -0.640 1.00 0.00 C ATOM 960 CG PRO A 61 -4.691 6.347 -1.734 1.00 0.00 C ATOM 961 CD PRO A 61 -4.680 4.853 -1.902 1.00 0.00 C ATOM 0 HA PRO A 61 -2.885 5.192 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.978 7.572 -0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.712 6.760 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.689 6.704 -1.480 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.400 6.846 -2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.658 4.475 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.971 4.540 -2.668 1.00 0.00 H new ATOM 969 N LEU A 62 -4.556 5.131 2.595 1.00 0.00 N ATOM 970 CA LEU A 62 -5.415 5.328 3.757 1.00 0.00 C ATOM 971 C LEU A 62 -5.347 6.771 4.246 1.00 0.00 C ATOM 972 O LEU A 62 -4.269 7.290 4.536 1.00 0.00 O ATOM 973 CB LEU A 62 -5.007 4.377 4.884 1.00 0.00 C ATOM 974 CG LEU A 62 -3.923 4.887 5.834 1.00 0.00 C ATOM 975 CD1 LEU A 62 -3.690 3.892 6.960 1.00 0.00 C ATOM 976 CD2 LEU A 62 -2.630 5.150 5.076 1.00 0.00 C ATOM 0 H LEU A 62 -3.770 4.501 2.754 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.441 5.112 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.894 4.140 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.661 3.444 4.438 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.262 5.826 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.915 4.271 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.615 3.753 7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.373 2.937 6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.870 5.512 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.286 4.226 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.806 5.900 4.305 1.00 0.00 H new ATOM 988 N SER A 63 -6.507 7.415 4.338 1.00 0.00 N ATOM 989 CA SER A 63 -6.580 8.799 4.790 1.00 0.00 C ATOM 990 C SER A 63 -8.030 9.235 4.975 1.00 0.00 C ATOM 991 O SER A 63 -8.921 8.787 4.254 1.00 0.00 O ATOM 992 CB SER A 63 -5.881 9.722 3.790 1.00 0.00 C ATOM 993 OG SER A 63 -5.734 11.029 4.318 1.00 0.00 O ATOM 0 H SER A 63 -7.409 7.000 4.105 1.00 0.00 H new ATOM 0 HA SER A 63 -6.073 8.868 5.753 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.901 9.316 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.456 9.763 2.865 1.00 0.00 H new ATOM 0 HG SER A 63 -5.283 11.599 3.660 1.00 0.00 H new ATOM 999 N GLY A 64 -8.259 10.112 5.947 1.00 0.00 N ATOM 1000 CA GLY A 64 -9.602 10.595 6.211 1.00 0.00 C ATOM 1001 C GLY A 64 -10.317 9.773 7.265 1.00 0.00 C ATOM 1002 O GLY A 64 -10.144 8.558 7.358 1.00 0.00 O ATOM 0 H GLY A 64 -7.538 10.497 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.554 11.634 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.180 10.577 5.287 1.00 0.00 H new ATOM 1006 N PRO A 65 -11.139 10.443 8.085 1.00 0.00 N ATOM 1007 CA PRO A 65 -11.898 9.787 9.154 1.00 0.00 C ATOM 1008 C PRO A 65 -13.008 8.893 8.613 1.00 0.00 C ATOM 1009 O PRO A 65 -13.655 8.165 9.366 1.00 0.00 O ATOM 1010 CB PRO A 65 -12.492 10.960 9.939 1.00 0.00 C ATOM 1011 CG PRO A 65 -12.566 12.075 8.954 1.00 0.00 C ATOM 1012 CD PRO A 65 -11.393 11.893 8.032 1.00 0.00 C ATOM 0 HA PRO A 65 -11.270 9.129 9.754 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.478 10.714 10.333 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.865 11.225 10.790 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.505 12.045 8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.522 13.042 9.455 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.623 12.224 7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.527 12.465 8.365 1.00 0.00 H new ATOM 1020 N SER A 66 -13.222 8.951 7.302 1.00 0.00 N ATOM 1021 CA SER A 66 -14.256 8.148 6.660 1.00 0.00 C ATOM 1022 C SER A 66 -14.384 6.786 7.335 1.00 0.00 C ATOM 1023 O SER A 66 -15.485 6.342 7.660 1.00 0.00 O ATOM 1024 CB SER A 66 -13.940 7.965 5.174 1.00 0.00 C ATOM 1025 OG SER A 66 -13.957 9.208 4.493 1.00 0.00 O ATOM 0 H SER A 66 -12.693 9.546 6.664 1.00 0.00 H new ATOM 0 HA SER A 66 -15.205 8.675 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.961 7.498 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.668 7.290 4.724 1.00 0.00 H new ATOM 0 HG SER A 66 -13.751 9.065 3.546 1.00 0.00 H new ATOM 1031 N SER A 67 -13.248 6.127 7.544 1.00 0.00 N ATOM 1032 CA SER A 67 -13.232 4.813 8.177 1.00 0.00 C ATOM 1033 C SER A 67 -13.286 4.942 9.696 1.00 0.00 C ATOM 1034 O SER A 67 -12.255 5.067 10.357 1.00 0.00 O ATOM 1035 CB SER A 67 -11.979 4.040 7.763 1.00 0.00 C ATOM 1036 OG SER A 67 -12.174 2.643 7.897 1.00 0.00 O ATOM 0 H SER A 67 -12.327 6.481 7.284 1.00 0.00 H new ATOM 0 HA SER A 67 -14.114 4.265 7.845 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.726 4.278 6.730 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.135 4.353 8.378 1.00 0.00 H new ATOM 0 HG SER A 67 -11.359 2.171 7.625 1.00 0.00 H new ATOM 1042 N GLY A 68 -14.497 4.910 10.244 1.00 0.00 N ATOM 1043 CA GLY A 68 -14.664 5.025 11.682 1.00 0.00 C ATOM 1044 C GLY A 68 -16.105 4.839 12.114 1.00 0.00 C ATOM 1045 O GLY A 68 -16.377 4.192 13.126 1.00 0.00 O ATOM 0 H GLY A 68 -15.365 4.807 9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.040 4.281 12.178 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -14.313 6.004 12.008 1.00 0.00 H new TER 1049 GLY A 68