USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 1.26 (180deg=-1.29) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00223 USER MOD Single : A 23 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.035) USER MOD Single : A 28 SER OG : rot -28:sc= 0.926 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.266 K(o=-0.27,f=-4.2!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -54:sc= 0.823 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -80:sc= 1.01 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.399 -11.480 24.891 1.00 0.00 N ATOM 2 CA MET A 1 -3.934 -12.541 24.013 1.00 0.00 C ATOM 3 C MET A 1 -4.892 -13.734 24.040 1.00 0.00 C ATOM 4 O MET A 1 -5.268 -14.209 25.111 1.00 0.00 O ATOM 5 CB MET A 1 -2.541 -12.995 24.453 1.00 0.00 C ATOM 6 CG MET A 1 -2.458 -13.110 25.976 1.00 0.00 C ATOM 7 SD MET A 1 -1.878 -11.573 26.674 1.00 0.00 S ATOM 8 CE MET A 1 -2.559 -11.703 28.319 1.00 0.00 C ATOM 0 H1 MET A 1 -3.588 -11.061 25.389 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.875 -10.747 24.328 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.067 -11.872 25.585 1.00 0.00 H new ATOM 0 HA MET A 1 -3.894 -12.153 22.995 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.308 -13.958 23.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.794 -12.286 24.097 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.438 -13.357 26.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.784 -13.921 26.251 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.290 -10.818 28.895 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.645 -11.780 28.258 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.159 -12.591 28.809 1.00 0.00 H new ATOM 18 N SER A 2 -5.260 -14.183 22.849 1.00 0.00 N ATOM 19 CA SER A 2 -6.167 -15.312 22.723 1.00 0.00 C ATOM 20 C SER A 2 -6.057 -15.918 21.323 1.00 0.00 C ATOM 21 O SER A 2 -5.091 -15.661 20.606 1.00 0.00 O ATOM 22 CB SER A 2 -7.611 -14.892 23.007 1.00 0.00 C ATOM 23 OG SER A 2 -8.344 -15.919 23.670 1.00 0.00 O ATOM 0 H SER A 2 -4.947 -13.786 21.963 1.00 0.00 H new ATOM 0 HA SER A 2 -5.883 -16.063 23.460 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.613 -13.991 23.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.107 -14.640 22.069 1.00 0.00 H new ATOM 0 HG SER A 2 -9.260 -15.612 23.835 1.00 0.00 H new ATOM 29 N LEU A 3 -7.059 -16.712 20.976 1.00 0.00 N ATOM 30 CA LEU A 3 -7.086 -17.357 19.674 1.00 0.00 C ATOM 31 C LEU A 3 -7.977 -16.550 18.728 1.00 0.00 C ATOM 32 O LEU A 3 -7.661 -16.398 17.549 1.00 0.00 O ATOM 33 CB LEU A 3 -7.503 -18.823 19.811 1.00 0.00 C ATOM 34 CG LEU A 3 -6.656 -19.836 19.038 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.810 -21.240 19.625 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.987 -19.800 17.544 1.00 0.00 C ATOM 0 H LEU A 3 -7.858 -16.923 21.574 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.088 -17.373 19.236 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.479 -19.090 20.868 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.538 -18.918 19.482 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.608 -19.556 19.143 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.198 -21.941 19.057 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.487 -21.237 20.666 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.855 -21.545 19.570 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.371 -20.529 17.017 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.040 -20.042 17.399 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.786 -18.804 17.151 1.00 0.00 H new ATOM 48 N GLY A 4 -9.075 -16.054 19.280 1.00 0.00 N ATOM 49 CA GLY A 4 -10.015 -15.266 18.501 1.00 0.00 C ATOM 50 C GLY A 4 -9.359 -13.985 17.983 1.00 0.00 C ATOM 51 O GLY A 4 -9.447 -13.674 16.796 1.00 0.00 O ATOM 0 H GLY A 4 -9.335 -16.183 20.258 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.382 -15.856 17.661 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.880 -15.014 19.115 1.00 0.00 H new ATOM 55 N VAL A 5 -8.716 -13.276 18.899 1.00 0.00 N ATOM 56 CA VAL A 5 -8.045 -12.035 18.549 1.00 0.00 C ATOM 57 C VAL A 5 -6.957 -12.322 17.513 1.00 0.00 C ATOM 58 O VAL A 5 -6.669 -11.483 16.661 1.00 0.00 O ATOM 59 CB VAL A 5 -7.505 -11.358 19.811 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.280 -12.100 20.350 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.184 -9.886 19.549 1.00 0.00 C ATOM 0 H VAL A 5 -8.645 -13.537 19.883 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.748 -11.336 18.096 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.283 -11.400 20.573 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.916 -11.598 21.247 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.555 -13.126 20.594 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.495 -12.105 19.593 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.802 -9.429 20.462 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.432 -9.812 18.764 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.089 -9.367 19.234 1.00 0.00 H new ATOM 71 N LEU A 6 -6.381 -13.511 17.621 1.00 0.00 N ATOM 72 CA LEU A 6 -5.331 -13.919 16.704 1.00 0.00 C ATOM 73 C LEU A 6 -5.860 -13.858 15.269 1.00 0.00 C ATOM 74 O LEU A 6 -5.244 -13.238 14.403 1.00 0.00 O ATOM 75 CB LEU A 6 -4.780 -15.291 17.097 1.00 0.00 C ATOM 76 CG LEU A 6 -3.512 -15.740 16.367 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.149 -17.180 16.733 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.655 -15.551 14.855 1.00 0.00 C ATOM 0 H LEU A 6 -6.622 -14.204 18.329 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.487 -13.232 16.763 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.576 -15.285 18.168 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.557 -16.035 16.925 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.687 -15.108 16.694 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.244 -17.474 16.201 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.977 -17.250 17.807 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.967 -17.844 16.453 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.741 -15.877 14.359 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.495 -16.143 14.492 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.831 -14.498 14.635 1.00 0.00 H new ATOM 90 N ALA A 7 -6.995 -14.509 15.062 1.00 0.00 N ATOM 91 CA ALA A 7 -7.613 -14.535 13.748 1.00 0.00 C ATOM 92 C ALA A 7 -7.935 -13.105 13.311 1.00 0.00 C ATOM 93 O ALA A 7 -7.914 -12.795 12.121 1.00 0.00 O ATOM 94 CB ALA A 7 -8.856 -15.427 13.786 1.00 0.00 C ATOM 0 H ALA A 7 -7.503 -15.022 15.782 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.930 -14.958 13.011 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.320 -15.447 12.800 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.569 -16.439 14.072 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.565 -15.032 14.513 1.00 0.00 H new ATOM 100 N ALA A 8 -8.227 -12.270 14.299 1.00 0.00 N ATOM 101 CA ALA A 8 -8.554 -10.880 14.032 1.00 0.00 C ATOM 102 C ALA A 8 -7.307 -10.157 13.518 1.00 0.00 C ATOM 103 O ALA A 8 -7.409 -9.220 12.728 1.00 0.00 O ATOM 104 CB ALA A 8 -9.120 -10.236 15.298 1.00 0.00 C ATOM 0 H ALA A 8 -8.244 -12.530 15.285 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.320 -10.808 13.259 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.365 -9.193 15.097 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.020 -10.768 15.605 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.378 -10.287 16.095 1.00 0.00 H new ATOM 110 N ALA A 9 -6.158 -10.621 13.987 1.00 0.00 N ATOM 111 CA ALA A 9 -4.892 -10.030 13.585 1.00 0.00 C ATOM 112 C ALA A 9 -4.588 -10.423 12.138 1.00 0.00 C ATOM 113 O ALA A 9 -3.940 -9.673 11.410 1.00 0.00 O ATOM 114 CB ALA A 9 -3.793 -10.472 14.553 1.00 0.00 C ATOM 0 H ALA A 9 -6.077 -11.399 14.641 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.945 -8.942 13.627 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.843 -10.029 14.252 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.043 -10.144 15.562 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.708 -11.559 14.536 1.00 0.00 H new ATOM 120 N ILE A 10 -5.070 -11.600 11.764 1.00 0.00 N ATOM 121 CA ILE A 10 -4.858 -12.101 10.417 1.00 0.00 C ATOM 122 C ILE A 10 -5.832 -11.411 9.461 1.00 0.00 C ATOM 123 O ILE A 10 -5.416 -10.821 8.465 1.00 0.00 O ATOM 124 CB ILE A 10 -4.951 -13.628 10.393 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.565 -14.265 10.518 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.695 -14.113 9.147 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.515 -15.242 11.694 1.00 0.00 C ATOM 0 H ILE A 10 -5.606 -12.220 12.371 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.851 -11.860 10.075 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.531 -13.948 11.259 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.317 -14.789 9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.814 -13.487 10.655 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.747 -15.202 9.155 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.704 -13.702 9.143 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.164 -13.782 8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.519 -15.681 11.761 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.740 -14.710 12.619 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.250 -16.032 11.542 1.00 0.00 H new ATOM 139 N ALA A 11 -7.110 -11.506 9.797 1.00 0.00 N ATOM 140 CA ALA A 11 -8.146 -10.898 8.981 1.00 0.00 C ATOM 141 C ALA A 11 -7.834 -9.412 8.792 1.00 0.00 C ATOM 142 O ALA A 11 -8.276 -8.799 7.821 1.00 0.00 O ATOM 143 CB ALA A 11 -9.511 -11.129 9.632 1.00 0.00 C ATOM 0 H ALA A 11 -7.451 -11.996 10.624 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.175 -11.357 7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.288 -10.672 9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.697 -12.200 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.521 -10.680 10.625 1.00 0.00 H new ATOM 149 N VAL A 12 -7.075 -8.875 9.736 1.00 0.00 N ATOM 150 CA VAL A 12 -6.699 -7.472 9.686 1.00 0.00 C ATOM 151 C VAL A 12 -5.578 -7.286 8.661 1.00 0.00 C ATOM 152 O VAL A 12 -5.585 -6.321 7.898 1.00 0.00 O ATOM 153 CB VAL A 12 -6.317 -6.983 11.085 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.134 -6.015 11.023 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.515 -6.340 11.786 1.00 0.00 C ATOM 0 H VAL A 12 -6.710 -9.386 10.540 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.542 -6.861 9.361 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.011 -7.849 11.671 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.883 -5.683 12.030 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.274 -6.519 10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.401 -5.153 10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.217 -6.001 12.778 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.865 -5.489 11.202 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.318 -7.071 11.878 1.00 0.00 H new ATOM 165 N GLY A 13 -4.642 -8.223 8.677 1.00 0.00 N ATOM 166 CA GLY A 13 -3.518 -8.174 7.759 1.00 0.00 C ATOM 167 C GLY A 13 -3.980 -8.377 6.314 1.00 0.00 C ATOM 168 O GLY A 13 -3.403 -7.809 5.388 1.00 0.00 O ATOM 0 H GLY A 13 -4.639 -9.021 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.011 -7.214 7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.793 -8.944 8.024 1.00 0.00 H new ATOM 172 N LEU A 14 -5.017 -9.189 6.167 1.00 0.00 N ATOM 173 CA LEU A 14 -5.563 -9.474 4.851 1.00 0.00 C ATOM 174 C LEU A 14 -6.380 -8.273 4.372 1.00 0.00 C ATOM 175 O LEU A 14 -6.303 -7.890 3.206 1.00 0.00 O ATOM 176 CB LEU A 14 -6.351 -10.785 4.871 1.00 0.00 C ATOM 177 CG LEU A 14 -5.651 -11.979 5.523 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.664 -13.046 5.944 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.567 -12.548 4.605 1.00 0.00 C ATOM 0 H LEU A 14 -5.493 -9.658 6.937 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.760 -9.622 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.292 -10.612 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.600 -11.052 3.844 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.155 -11.631 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.140 -13.884 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.366 -12.619 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.209 -13.397 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.085 -13.395 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.019 -12.877 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.824 -11.778 4.399 1.00 0.00 H new ATOM 191 N GLY A 15 -7.145 -7.711 5.297 1.00 0.00 N ATOM 192 CA GLY A 15 -7.975 -6.560 4.983 1.00 0.00 C ATOM 193 C GLY A 15 -7.117 -5.328 4.692 1.00 0.00 C ATOM 194 O GLY A 15 -7.422 -4.555 3.784 1.00 0.00 O ATOM 0 H GLY A 15 -7.207 -8.031 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.601 -6.784 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.645 -6.352 5.817 1.00 0.00 H new ATOM 198 N ALA A 16 -6.061 -5.182 5.478 1.00 0.00 N ATOM 199 CA ALA A 16 -5.157 -4.056 5.316 1.00 0.00 C ATOM 200 C ALA A 16 -4.284 -4.283 4.079 1.00 0.00 C ATOM 201 O ALA A 16 -3.707 -3.339 3.541 1.00 0.00 O ATOM 202 CB ALA A 16 -4.328 -3.879 6.589 1.00 0.00 C ATOM 0 H ALA A 16 -5.811 -5.825 6.229 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.717 -3.134 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.650 -3.034 6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.992 -3.692 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.750 -4.784 6.776 1.00 0.00 H new ATOM 208 N LEU A 17 -4.216 -5.539 3.664 1.00 0.00 N ATOM 209 CA LEU A 17 -3.424 -5.902 2.501 1.00 0.00 C ATOM 210 C LEU A 17 -4.062 -5.299 1.248 1.00 0.00 C ATOM 211 O LEU A 17 -3.428 -4.518 0.539 1.00 0.00 O ATOM 212 CB LEU A 17 -3.241 -7.419 2.429 1.00 0.00 C ATOM 213 CG LEU A 17 -3.003 -8.000 1.034 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.709 -8.814 0.993 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.210 -8.818 0.568 1.00 0.00 C ATOM 0 H LEU A 17 -4.697 -6.319 4.113 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.419 -5.487 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.399 -7.694 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.127 -7.892 2.852 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.885 -7.172 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.564 -9.216 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.867 -8.172 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.773 -9.635 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.015 -9.220 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.384 -9.639 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.092 -8.178 0.534 1.00 0.00 H new ATOM 227 N GLY A 18 -5.307 -5.684 1.012 1.00 0.00 N ATOM 228 CA GLY A 18 -6.037 -5.192 -0.144 1.00 0.00 C ATOM 229 C GLY A 18 -6.480 -3.742 0.065 1.00 0.00 C ATOM 230 O GLY A 18 -6.516 -2.958 -0.882 1.00 0.00 O ATOM 0 H GLY A 18 -5.829 -6.332 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.408 -5.260 -1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.909 -5.821 -0.323 1.00 0.00 H new ATOM 234 N ALA A 19 -6.807 -3.430 1.311 1.00 0.00 N ATOM 235 CA ALA A 19 -7.246 -2.089 1.656 1.00 0.00 C ATOM 236 C ALA A 19 -6.098 -1.105 1.423 1.00 0.00 C ATOM 237 O ALA A 19 -6.286 -0.063 0.797 1.00 0.00 O ATOM 238 CB ALA A 19 -7.745 -2.071 3.102 1.00 0.00 C ATOM 0 H ALA A 19 -6.777 -4.083 2.094 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.077 -1.782 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.074 -1.065 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.579 -2.764 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.937 -2.371 3.769 1.00 0.00 H new ATOM 244 N GLY A 20 -4.934 -1.471 1.939 1.00 0.00 N ATOM 245 CA GLY A 20 -3.755 -0.633 1.795 1.00 0.00 C ATOM 246 C GLY A 20 -3.503 -0.289 0.326 1.00 0.00 C ATOM 247 O GLY A 20 -3.406 0.884 -0.033 1.00 0.00 O ATOM 0 H GLY A 20 -4.782 -2.336 2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.884 0.284 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.886 -1.148 2.206 1.00 0.00 H new ATOM 251 N ILE A 21 -3.404 -1.332 -0.485 1.00 0.00 N ATOM 252 CA ILE A 21 -3.165 -1.155 -1.907 1.00 0.00 C ATOM 253 C ILE A 21 -4.190 -0.171 -2.473 1.00 0.00 C ATOM 254 O ILE A 21 -3.914 0.526 -3.449 1.00 0.00 O ATOM 255 CB ILE A 21 -3.153 -2.509 -2.621 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.915 -2.649 -3.509 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.449 -2.726 -3.405 1.00 0.00 C ATOM 258 CD1 ILE A 21 -2.166 -2.058 -4.897 1.00 0.00 C ATOM 0 H ILE A 21 -3.485 -2.303 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.179 -0.722 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.098 -3.294 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.069 -2.144 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.646 -3.701 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.415 -3.695 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.297 -2.699 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.559 -1.939 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.270 -2.171 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.996 -2.582 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.410 -1.000 -4.803 1.00 0.00 H new ATOM 270 N GLY A 22 -5.352 -0.144 -1.837 1.00 0.00 N ATOM 271 CA GLY A 22 -6.420 0.744 -2.265 1.00 0.00 C ATOM 272 C GLY A 22 -6.104 2.196 -1.900 1.00 0.00 C ATOM 273 O GLY A 22 -6.414 3.112 -2.661 1.00 0.00 O ATOM 0 H GLY A 22 -5.578 -0.723 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.560 0.658 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.357 0.443 -1.797 1.00 0.00 H new ATOM 277 N ASN A 23 -5.493 2.361 -0.737 1.00 0.00 N ATOM 278 CA ASN A 23 -5.132 3.686 -0.262 1.00 0.00 C ATOM 279 C ASN A 23 -3.935 4.202 -1.063 1.00 0.00 C ATOM 280 O ASN A 23 -3.725 5.409 -1.165 1.00 0.00 O ATOM 281 CB ASN A 23 -4.734 3.653 1.215 1.00 0.00 C ATOM 282 CG ASN A 23 -4.970 5.012 1.877 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.082 5.507 1.959 1.00 0.00 O ATOM 284 ND2 ASN A 23 -3.864 5.585 2.343 1.00 0.00 N ATOM 0 H ASN A 23 -5.238 1.599 -0.109 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.998 4.336 -0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.310 2.887 1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.683 3.378 1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.915 6.494 2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.964 5.115 2.241 1.00 0.00 H new ATOM 291 N GLY A 24 -3.180 3.260 -1.611 1.00 0.00 N ATOM 292 CA GLY A 24 -2.009 3.604 -2.399 1.00 0.00 C ATOM 293 C GLY A 24 -2.411 4.091 -3.793 1.00 0.00 C ATOM 294 O GLY A 24 -1.955 5.141 -4.243 1.00 0.00 O ATOM 0 H GLY A 24 -3.357 2.259 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.438 4.380 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.357 2.735 -2.487 1.00 0.00 H new ATOM 298 N LEU A 25 -3.260 3.304 -4.438 1.00 0.00 N ATOM 299 CA LEU A 25 -3.727 3.641 -5.772 1.00 0.00 C ATOM 300 C LEU A 25 -4.423 5.003 -5.734 1.00 0.00 C ATOM 301 O LEU A 25 -4.350 5.768 -6.695 1.00 0.00 O ATOM 302 CB LEU A 25 -4.604 2.519 -6.332 1.00 0.00 C ATOM 303 CG LEU A 25 -5.744 2.044 -5.429 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.992 2.907 -5.622 1.00 0.00 C ATOM 305 CD2 LEU A 25 -6.035 0.558 -5.649 1.00 0.00 C ATOM 0 H LEU A 25 -3.636 2.434 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.886 3.730 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.032 2.856 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.966 1.665 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.429 2.160 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.787 2.548 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.760 3.943 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.320 2.846 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.849 0.246 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.321 0.393 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.143 -0.025 -5.421 1.00 0.00 H new ATOM 317 N ILE A 26 -5.081 5.266 -4.615 1.00 0.00 N ATOM 318 CA ILE A 26 -5.788 6.523 -4.439 1.00 0.00 C ATOM 319 C ILE A 26 -4.775 7.666 -4.354 1.00 0.00 C ATOM 320 O ILE A 26 -5.007 8.747 -4.893 1.00 0.00 O ATOM 321 CB ILE A 26 -6.730 6.444 -3.236 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.062 5.798 -3.623 1.00 0.00 C ATOM 323 CG2 ILE A 26 -6.924 7.823 -2.601 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.749 6.586 -4.739 1.00 0.00 C ATOM 0 H ILE A 26 -5.140 4.629 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.425 6.726 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.270 5.804 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.892 4.772 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.715 5.751 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.598 7.739 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.961 8.208 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.352 8.505 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.693 6.106 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.940 7.605 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.104 6.610 -5.617 1.00 0.00 H new ATOM 336 N VAL A 27 -3.673 7.388 -3.673 1.00 0.00 N ATOM 337 CA VAL A 27 -2.624 8.379 -3.510 1.00 0.00 C ATOM 338 C VAL A 27 -1.955 8.635 -4.862 1.00 0.00 C ATOM 339 O VAL A 27 -1.761 9.784 -5.255 1.00 0.00 O ATOM 340 CB VAL A 27 -1.637 7.925 -2.432 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.522 8.955 -2.240 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.359 7.645 -1.112 1.00 0.00 C ATOM 0 H VAL A 27 -3.484 6.490 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.044 9.326 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.178 6.995 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.165 8.608 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.020 9.084 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.955 9.908 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.636 7.324 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.857 8.552 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.099 6.859 -1.262 1.00 0.00 H new ATOM 352 N SER A 28 -1.621 7.545 -5.537 1.00 0.00 N ATOM 353 CA SER A 28 -0.979 7.636 -6.837 1.00 0.00 C ATOM 354 C SER A 28 -1.870 8.414 -7.807 1.00 0.00 C ATOM 355 O SER A 28 -1.374 9.059 -8.730 1.00 0.00 O ATOM 356 CB SER A 28 -0.670 6.247 -7.398 1.00 0.00 C ATOM 357 OG SER A 28 -1.853 5.545 -7.766 1.00 0.00 O ATOM 0 H SER A 28 -1.783 6.593 -5.208 1.00 0.00 H new ATOM 0 HA SER A 28 -0.035 8.167 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.020 6.344 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.122 5.669 -6.654 1.00 0.00 H new ATOM 0 HG SER A 28 -2.600 5.849 -7.210 1.00 0.00 H new ATOM 363 N ARG A 29 -3.170 8.328 -7.566 1.00 0.00 N ATOM 364 CA ARG A 29 -4.134 9.016 -8.407 1.00 0.00 C ATOM 365 C ARG A 29 -4.105 10.520 -8.127 1.00 0.00 C ATOM 366 O ARG A 29 -4.342 11.327 -9.025 1.00 0.00 O ATOM 367 CB ARG A 29 -5.550 8.487 -8.168 1.00 0.00 C ATOM 368 CG ARG A 29 -6.474 8.850 -9.331 1.00 0.00 C ATOM 369 CD ARG A 29 -6.157 8.005 -10.567 1.00 0.00 C ATOM 370 NE ARG A 29 -7.403 7.426 -11.118 1.00 0.00 N ATOM 371 CZ ARG A 29 -7.439 6.387 -11.963 1.00 0.00 C ATOM 372 NH1 ARG A 29 -6.299 5.807 -12.360 1.00 0.00 N ATOM 373 NH2 ARG A 29 -8.616 5.929 -12.412 1.00 0.00 N ATOM 0 H ARG A 29 -3.578 7.792 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.860 8.831 -9.446 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.522 7.404 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.946 8.902 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.512 8.696 -9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.364 9.908 -9.571 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.667 8.620 -11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.461 7.208 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.290 7.844 -10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.403 6.156 -12.019 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.326 5.016 -13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.484 6.372 -12.110 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.644 5.138 -13.055 1.00 0.00 H new ATOM 387 N THR A 30 -3.813 10.852 -6.878 1.00 0.00 N ATOM 388 CA THR A 30 -3.750 12.245 -6.469 1.00 0.00 C ATOM 389 C THR A 30 -2.423 12.870 -6.906 1.00 0.00 C ATOM 390 O THR A 30 -2.400 13.985 -7.425 1.00 0.00 O ATOM 391 CB THR A 30 -3.980 12.304 -4.958 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.834 13.431 -4.781 1.00 0.00 O ATOM 393 CG2 THR A 30 -2.712 12.674 -4.186 1.00 0.00 C ATOM 0 H THR A 30 -3.617 10.180 -6.136 1.00 0.00 H new ATOM 0 HA THR A 30 -4.527 12.835 -6.955 1.00 0.00 H new ATOM 0 HB THR A 30 -4.349 11.339 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.036 13.542 -3.828 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.931 12.702 -3.119 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.939 11.930 -4.379 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.362 13.654 -4.510 1.00 0.00 H new ATOM 401 N ILE A 31 -1.352 12.124 -6.681 1.00 0.00 N ATOM 402 CA ILE A 31 -0.025 12.591 -7.046 1.00 0.00 C ATOM 403 C ILE A 31 0.086 12.658 -8.570 1.00 0.00 C ATOM 404 O ILE A 31 0.640 13.612 -9.114 1.00 0.00 O ATOM 405 CB ILE A 31 1.048 11.720 -6.389 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.399 12.440 -6.366 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.139 10.353 -7.070 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.706 12.984 -4.969 1.00 0.00 C ATOM 0 H ILE A 31 -1.376 11.200 -6.251 1.00 0.00 H new ATOM 0 HA ILE A 31 0.141 13.600 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 31 0.758 11.544 -5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.187 11.753 -6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.391 13.259 -7.086 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.909 9.755 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.179 9.843 -6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.394 10.487 -8.121 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.671 13.491 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.929 13.689 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.737 12.160 -4.256 1.00 0.00 H new ATOM 420 N GLU A 32 -0.450 11.633 -9.217 1.00 0.00 N ATOM 421 CA GLU A 32 -0.417 11.564 -10.668 1.00 0.00 C ATOM 422 C GLU A 32 -1.304 12.655 -11.271 1.00 0.00 C ATOM 423 O GLU A 32 -1.055 13.118 -12.383 1.00 0.00 O ATOM 424 CB GLU A 32 -0.842 10.179 -11.160 1.00 0.00 C ATOM 425 CG GLU A 32 -2.347 9.970 -10.981 1.00 0.00 C ATOM 426 CD GLU A 32 -3.135 10.697 -12.072 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.577 10.831 -13.182 1.00 0.00 O ATOM 428 OE2 GLU A 32 -4.279 11.103 -11.771 1.00 0.00 O ATOM 0 H GLU A 32 -0.909 10.844 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 32 0.608 11.732 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.578 10.066 -12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.297 9.411 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.576 8.905 -11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.654 10.335 -10.001 1.00 0.00 H new ATOM 435 N GLY A 33 -2.320 13.035 -10.510 1.00 0.00 N ATOM 436 CA GLY A 33 -3.245 14.063 -10.956 1.00 0.00 C ATOM 437 C GLY A 33 -2.564 15.433 -10.995 1.00 0.00 C ATOM 438 O GLY A 33 -2.866 16.256 -11.859 1.00 0.00 O ATOM 0 H GLY A 33 -2.523 12.650 -9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.623 13.812 -11.947 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.105 14.099 -10.287 1.00 0.00 H new ATOM 442 N ILE A 34 -1.658 15.635 -10.050 1.00 0.00 N ATOM 443 CA ILE A 34 -0.932 16.891 -9.966 1.00 0.00 C ATOM 444 C ILE A 34 0.239 16.865 -10.950 1.00 0.00 C ATOM 445 O ILE A 34 0.672 17.910 -11.433 1.00 0.00 O ATOM 446 CB ILE A 34 -0.515 17.173 -8.521 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.870 16.593 -8.227 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.570 16.665 -7.537 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.951 17.671 -8.339 1.00 0.00 C ATOM 0 H ILE A 34 -1.410 14.950 -9.336 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.574 17.722 -10.256 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.446 18.253 -8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.883 16.163 -7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.085 15.784 -8.925 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.249 16.878 -6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.519 17.165 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.695 15.589 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.926 17.232 -8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.952 18.082 -9.348 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.747 18.467 -7.623 1.00 0.00 H new ATOM 461 N ALA A 35 0.719 15.659 -11.218 1.00 0.00 N ATOM 462 CA ALA A 35 1.831 15.483 -12.136 1.00 0.00 C ATOM 463 C ALA A 35 1.341 15.690 -13.570 1.00 0.00 C ATOM 464 O ALA A 35 2.145 15.861 -14.486 1.00 0.00 O ATOM 465 CB ALA A 35 2.453 14.100 -11.926 1.00 0.00 C ATOM 0 H ALA A 35 0.358 14.794 -10.815 1.00 0.00 H new ATOM 0 HA ALA A 35 2.608 16.223 -11.943 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.287 13.968 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.812 14.014 -10.900 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.703 13.332 -12.113 1.00 0.00 H new ATOM 471 N ARG A 36 0.025 15.667 -13.721 1.00 0.00 N ATOM 472 CA ARG A 36 -0.582 15.851 -15.029 1.00 0.00 C ATOM 473 C ARG A 36 -0.166 17.198 -15.622 1.00 0.00 C ATOM 474 O ARG A 36 0.011 17.319 -16.834 1.00 0.00 O ATOM 475 CB ARG A 36 -2.108 15.788 -14.941 1.00 0.00 C ATOM 476 CG ARG A 36 -2.604 14.344 -15.037 1.00 0.00 C ATOM 477 CD ARG A 36 -4.110 14.299 -15.304 1.00 0.00 C ATOM 478 NE ARG A 36 -4.375 13.620 -16.593 1.00 0.00 N ATOM 479 CZ ARG A 36 -4.400 14.244 -17.778 1.00 0.00 C ATOM 480 NH1 ARG A 36 -4.177 15.563 -17.847 1.00 0.00 N ATOM 481 NH2 ARG A 36 -4.649 13.548 -18.896 1.00 0.00 N ATOM 0 H ARG A 36 -0.638 15.524 -12.959 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.233 15.044 -15.674 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.440 16.228 -14.001 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.547 16.381 -15.743 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.074 13.826 -15.836 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.379 13.816 -14.110 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.616 13.772 -14.495 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.514 15.311 -15.327 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.549 12.615 -16.578 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.988 16.093 -16.997 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.196 16.037 -18.750 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.819 12.544 -18.844 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.668 14.023 -19.799 1.00 0.00 H new ATOM 495 N GLN A 37 -0.022 18.178 -14.742 1.00 0.00 N ATOM 496 CA GLN A 37 0.369 19.512 -15.164 1.00 0.00 C ATOM 497 C GLN A 37 1.754 19.478 -15.812 1.00 0.00 C ATOM 498 O GLN A 37 2.451 18.467 -15.745 1.00 0.00 O ATOM 499 CB GLN A 37 0.338 20.490 -13.988 1.00 0.00 C ATOM 500 CG GLN A 37 -0.893 21.396 -14.061 1.00 0.00 C ATOM 501 CD GLN A 37 -0.767 22.572 -13.090 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.182 22.470 -12.024 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.346 23.690 -13.516 1.00 0.00 N ATOM 0 H GLN A 37 -0.169 18.075 -13.738 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.349 19.863 -15.905 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.331 19.936 -13.049 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.242 21.098 -13.992 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.014 21.770 -15.078 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.788 20.820 -13.825 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.819 23.707 -14.419 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.317 24.531 -12.940 1.00 0.00 H new ATOM 512 N PRO A 38 2.122 20.626 -16.442 1.00 0.00 N ATOM 513 CA PRO A 38 3.412 20.737 -17.103 1.00 0.00 C ATOM 514 C PRO A 38 4.539 20.897 -16.081 1.00 0.00 C ATOM 515 O PRO A 38 5.436 20.058 -16.005 1.00 0.00 O ATOM 516 CB PRO A 38 3.277 21.935 -18.029 1.00 0.00 C ATOM 517 CG PRO A 38 2.085 22.727 -17.517 1.00 0.00 C ATOM 518 CD PRO A 38 1.323 21.844 -16.543 1.00 0.00 C ATOM 0 HA PRO A 38 3.675 19.842 -17.666 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.183 22.541 -18.017 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.120 21.616 -19.059 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.417 23.641 -17.024 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.442 23.026 -18.344 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.214 22.328 -15.572 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.318 21.629 -16.906 1.00 0.00 H new ATOM 526 N GLU A 39 4.456 21.978 -15.320 1.00 0.00 N ATOM 527 CA GLU A 39 5.458 22.258 -14.305 1.00 0.00 C ATOM 528 C GLU A 39 5.682 21.026 -13.426 1.00 0.00 C ATOM 529 O GLU A 39 6.739 20.879 -12.814 1.00 0.00 O ATOM 530 CB GLU A 39 5.060 23.469 -13.460 1.00 0.00 C ATOM 531 CG GLU A 39 6.276 24.342 -13.144 1.00 0.00 C ATOM 532 CD GLU A 39 5.999 25.257 -11.950 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.084 26.099 -12.081 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.708 25.095 -10.934 1.00 0.00 O ATOM 0 H GLU A 39 3.710 22.671 -15.386 1.00 0.00 H new ATOM 0 HA GLU A 39 6.396 22.499 -14.806 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.313 24.058 -13.992 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.598 23.133 -12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.137 23.709 -12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.533 24.944 -14.016 1.00 0.00 H new ATOM 541 N LEU A 40 4.670 20.171 -13.392 1.00 0.00 N ATOM 542 CA LEU A 40 4.744 18.956 -12.598 1.00 0.00 C ATOM 543 C LEU A 40 5.060 17.772 -13.514 1.00 0.00 C ATOM 544 O LEU A 40 4.617 16.652 -13.262 1.00 0.00 O ATOM 545 CB LEU A 40 3.465 18.775 -11.777 1.00 0.00 C ATOM 546 CG LEU A 40 3.142 19.892 -10.783 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.412 20.402 -10.100 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.363 21.021 -11.461 1.00 0.00 C ATOM 0 H LEU A 40 3.795 20.296 -13.901 1.00 0.00 H new ATOM 0 HA LEU A 40 5.555 19.023 -11.872 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.626 18.675 -12.466 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.540 17.837 -11.227 1.00 0.00 H new ATOM 0 HG LEU A 40 2.500 19.481 -10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.154 21.195 -9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.890 19.583 -9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.098 20.791 -10.852 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.146 21.802 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.959 21.438 -12.273 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.428 20.629 -11.861 1.00 0.00 H new ATOM 560 N ARG A 41 5.823 18.060 -14.558 1.00 0.00 N ATOM 561 CA ARG A 41 6.204 17.032 -15.512 1.00 0.00 C ATOM 562 C ARG A 41 7.072 15.972 -14.833 1.00 0.00 C ATOM 563 O ARG A 41 6.917 14.779 -15.091 1.00 0.00 O ATOM 564 CB ARG A 41 6.973 17.633 -16.690 1.00 0.00 C ATOM 565 CG ARG A 41 7.744 16.552 -17.451 1.00 0.00 C ATOM 566 CD ARG A 41 6.801 15.454 -17.949 1.00 0.00 C ATOM 567 NE ARG A 41 6.324 15.778 -19.312 1.00 0.00 N ATOM 568 CZ ARG A 41 5.806 14.879 -20.160 1.00 0.00 C ATOM 569 NH1 ARG A 41 5.695 13.595 -19.790 1.00 0.00 N ATOM 570 NH2 ARG A 41 5.399 15.262 -21.377 1.00 0.00 N ATOM 0 H ARG A 41 6.188 18.990 -14.764 1.00 0.00 H new ATOM 0 HA ARG A 41 5.290 16.571 -15.886 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.278 18.133 -17.365 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.666 18.392 -16.327 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.266 17.000 -18.297 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.504 16.117 -16.802 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.317 14.494 -17.954 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.953 15.356 -17.271 1.00 0.00 H new ATOM 0 HE ARG A 41 6.394 16.746 -19.625 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.005 13.303 -18.863 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.301 12.911 -20.435 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.483 16.239 -21.659 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.005 14.577 -22.022 1.00 0.00 H new ATOM 584 N PRO A 42 7.990 16.457 -13.954 1.00 0.00 N ATOM 585 CA PRO A 42 8.883 15.564 -13.236 1.00 0.00 C ATOM 586 C PRO A 42 8.142 14.835 -12.112 1.00 0.00 C ATOM 587 O PRO A 42 8.608 13.808 -11.621 1.00 0.00 O ATOM 588 CB PRO A 42 10.004 16.455 -12.727 1.00 0.00 C ATOM 589 CG PRO A 42 9.465 17.875 -12.778 1.00 0.00 C ATOM 590 CD PRO A 42 8.201 17.863 -13.623 1.00 0.00 C ATOM 0 HA PRO A 42 9.279 14.768 -13.867 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.289 16.182 -11.711 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.895 16.353 -13.346 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.249 18.238 -11.773 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.206 18.549 -13.208 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.353 18.272 -13.073 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.320 18.468 -14.522 1.00 0.00 H new ATOM 598 N VAL A 43 7.001 15.395 -11.739 1.00 0.00 N ATOM 599 CA VAL A 43 6.191 14.811 -10.683 1.00 0.00 C ATOM 600 C VAL A 43 5.722 13.421 -11.116 1.00 0.00 C ATOM 601 O VAL A 43 5.498 12.549 -10.278 1.00 0.00 O ATOM 602 CB VAL A 43 5.035 15.750 -10.331 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.077 15.090 -9.337 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.556 17.082 -9.788 1.00 0.00 C ATOM 0 H VAL A 43 6.618 16.247 -12.149 1.00 0.00 H new ATOM 0 HA VAL A 43 6.779 14.687 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 43 4.480 15.956 -11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.264 15.778 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.667 14.180 -9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.616 14.841 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.714 17.730 -9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.146 16.903 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.180 17.563 -10.542 1.00 0.00 H new ATOM 614 N LEU A 44 5.587 13.257 -12.424 1.00 0.00 N ATOM 615 CA LEU A 44 5.148 11.988 -12.978 1.00 0.00 C ATOM 616 C LEU A 44 6.061 10.871 -12.468 1.00 0.00 C ATOM 617 O LEU A 44 5.586 9.804 -12.081 1.00 0.00 O ATOM 618 CB LEU A 44 5.068 12.068 -14.503 1.00 0.00 C ATOM 619 CG LEU A 44 3.660 12.130 -15.099 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.588 13.157 -16.230 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.195 10.744 -15.552 1.00 0.00 C ATOM 0 H LEU A 44 5.774 13.982 -13.116 1.00 0.00 H new ATOM 0 HA LEU A 44 4.138 11.754 -12.641 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.619 12.950 -14.830 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.579 11.200 -14.920 1.00 0.00 H new ATOM 0 HG LEU A 44 2.973 12.461 -14.320 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.577 13.181 -16.636 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.847 14.143 -15.844 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.289 12.880 -17.018 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.192 10.816 -15.972 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.878 10.361 -16.310 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.183 10.067 -14.698 1.00 0.00 H new ATOM 633 N GLN A 45 7.355 11.155 -12.483 1.00 0.00 N ATOM 634 CA GLN A 45 8.339 10.188 -12.026 1.00 0.00 C ATOM 635 C GLN A 45 8.112 9.855 -10.550 1.00 0.00 C ATOM 636 O GLN A 45 8.347 8.727 -10.121 1.00 0.00 O ATOM 637 CB GLN A 45 9.761 10.700 -12.261 1.00 0.00 C ATOM 638 CG GLN A 45 10.797 9.653 -11.846 1.00 0.00 C ATOM 639 CD GLN A 45 12.054 9.753 -12.712 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.125 9.231 -13.813 1.00 0.00 O ATOM 641 NE2 GLN A 45 13.041 10.450 -12.155 1.00 0.00 N ATOM 0 H GLN A 45 7.745 12.041 -12.804 1.00 0.00 H new ATOM 0 HA GLN A 45 8.217 9.273 -12.606 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.892 10.949 -13.314 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.919 11.618 -11.694 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.061 9.793 -10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.367 8.655 -11.936 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.916 10.861 -11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.923 10.573 -12.653 1.00 0.00 H new ATOM 650 N THR A 46 7.657 10.859 -9.814 1.00 0.00 N ATOM 651 CA THR A 46 7.395 10.687 -8.395 1.00 0.00 C ATOM 652 C THR A 46 6.168 9.799 -8.183 1.00 0.00 C ATOM 653 O THR A 46 6.093 9.061 -7.201 1.00 0.00 O ATOM 654 CB THR A 46 7.256 12.076 -7.769 1.00 0.00 C ATOM 655 OG1 THR A 46 8.244 12.094 -6.742 1.00 0.00 O ATOM 656 CG2 THR A 46 5.935 12.250 -7.018 1.00 0.00 C ATOM 0 H THR A 46 7.463 11.794 -10.174 1.00 0.00 H new ATOM 0 HA THR A 46 8.218 10.172 -7.900 1.00 0.00 H new ATOM 0 HB THR A 46 7.333 12.835 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.225 12.961 -6.285 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.887 13.253 -6.593 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.103 12.108 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.872 11.513 -6.217 1.00 0.00 H new ATOM 664 N THR A 47 5.235 9.900 -9.118 1.00 0.00 N ATOM 665 CA THR A 47 4.014 9.115 -9.046 1.00 0.00 C ATOM 666 C THR A 47 4.286 7.667 -9.459 1.00 0.00 C ATOM 667 O THR A 47 3.632 6.746 -8.973 1.00 0.00 O ATOM 668 CB THR A 47 2.957 9.805 -9.909 1.00 0.00 C ATOM 669 OG1 THR A 47 3.358 9.518 -11.246 1.00 0.00 O ATOM 670 CG2 THR A 47 3.030 11.331 -9.817 1.00 0.00 C ATOM 0 H THR A 47 5.300 10.514 -9.930 1.00 0.00 H new ATOM 0 HA THR A 47 3.637 9.063 -8.025 1.00 0.00 H new ATOM 0 HB THR A 47 1.965 9.470 -9.604 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.291 9.788 -11.373 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.258 11.771 -10.449 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.874 11.641 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.010 11.669 -10.153 1.00 0.00 H new ATOM 678 N MET A 48 5.252 7.512 -10.352 1.00 0.00 N ATOM 679 CA MET A 48 5.618 6.192 -10.836 1.00 0.00 C ATOM 680 C MET A 48 6.276 5.365 -9.730 1.00 0.00 C ATOM 681 O MET A 48 5.992 4.176 -9.586 1.00 0.00 O ATOM 682 CB MET A 48 6.585 6.330 -12.014 1.00 0.00 C ATOM 683 CG MET A 48 6.271 5.304 -13.105 1.00 0.00 C ATOM 684 SD MET A 48 7.030 3.738 -12.708 1.00 0.00 S ATOM 685 CE MET A 48 7.938 3.443 -14.216 1.00 0.00 C ATOM 0 H MET A 48 5.792 8.279 -10.753 1.00 0.00 H new ATOM 0 HA MET A 48 4.711 5.679 -11.157 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.519 7.337 -12.427 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.609 6.194 -11.666 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.192 5.181 -13.200 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.637 5.661 -14.068 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.475 2.497 -14.139 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.244 3.399 -15.056 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.650 4.252 -14.376 1.00 0.00 H new ATOM 695 N PHE A 49 7.142 6.026 -8.976 1.00 0.00 N ATOM 696 CA PHE A 49 7.842 5.366 -7.887 1.00 0.00 C ATOM 697 C PHE A 49 6.901 5.105 -6.709 1.00 0.00 C ATOM 698 O PHE A 49 7.057 4.117 -5.993 1.00 0.00 O ATOM 699 CB PHE A 49 8.956 6.312 -7.434 1.00 0.00 C ATOM 700 CG PHE A 49 10.308 5.627 -7.227 1.00 0.00 C ATOM 701 CD1 PHE A 49 11.170 5.494 -8.270 1.00 0.00 C ATOM 702 CD2 PHE A 49 10.648 5.150 -5.999 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.425 4.858 -8.078 1.00 0.00 C ATOM 704 CE2 PHE A 49 11.903 4.514 -5.807 1.00 0.00 C ATOM 705 CZ PHE A 49 12.765 4.381 -6.850 1.00 0.00 C ATOM 0 H PHE A 49 7.375 7.012 -9.098 1.00 0.00 H new ATOM 0 HA PHE A 49 8.234 4.406 -8.224 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.071 7.103 -8.175 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.656 6.790 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.900 5.872 -9.245 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.963 5.255 -5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.110 4.753 -8.907 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.173 4.136 -4.832 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.719 3.897 -6.704 1.00 0.00 H new ATOM 715 N ILE A 50 5.945 6.008 -6.545 1.00 0.00 N ATOM 716 CA ILE A 50 4.979 5.887 -5.466 1.00 0.00 C ATOM 717 C ILE A 50 4.002 4.754 -5.786 1.00 0.00 C ATOM 718 O ILE A 50 3.556 4.043 -4.888 1.00 0.00 O ATOM 719 CB ILE A 50 4.297 7.232 -5.205 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.440 7.643 -3.738 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.834 7.200 -5.652 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.789 8.320 -3.487 1.00 0.00 C ATOM 0 H ILE A 50 5.819 6.826 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 50 5.479 5.623 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 50 4.800 7.992 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.632 8.322 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.346 6.765 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.372 8.168 -5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.784 6.984 -6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.302 6.425 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.865 8.602 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.595 7.629 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.870 9.212 -4.109 1.00 0.00 H new ATOM 734 N GLY A 51 3.700 4.622 -7.069 1.00 0.00 N ATOM 735 CA GLY A 51 2.784 3.587 -7.519 1.00 0.00 C ATOM 736 C GLY A 51 3.330 2.194 -7.199 1.00 0.00 C ATOM 737 O GLY A 51 2.613 1.351 -6.663 1.00 0.00 O ATOM 0 H GLY A 51 4.073 5.214 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.815 3.721 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.623 3.681 -8.593 1.00 0.00 H new ATOM 741 N VAL A 52 4.595 1.997 -7.540 1.00 0.00 N ATOM 742 CA VAL A 52 5.245 0.720 -7.295 1.00 0.00 C ATOM 743 C VAL A 52 5.339 0.482 -5.787 1.00 0.00 C ATOM 744 O VAL A 52 4.970 -0.585 -5.300 1.00 0.00 O ATOM 745 CB VAL A 52 6.607 0.685 -7.992 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.219 -0.716 -7.928 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.495 1.169 -9.439 1.00 0.00 C ATOM 0 H VAL A 52 5.187 2.699 -7.984 1.00 0.00 H new ATOM 0 HA VAL A 52 4.657 -0.096 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 52 7.273 1.366 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.186 -0.714 -8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.352 -1.008 -6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.555 -1.426 -8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.477 1.134 -9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.806 0.525 -9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.122 2.193 -9.452 1.00 0.00 H new ATOM 757 N ALA A 53 5.835 1.494 -5.090 1.00 0.00 N ATOM 758 CA ALA A 53 5.983 1.407 -3.647 1.00 0.00 C ATOM 759 C ALA A 53 4.647 0.992 -3.026 1.00 0.00 C ATOM 760 O ALA A 53 4.615 0.197 -2.088 1.00 0.00 O ATOM 761 CB ALA A 53 6.487 2.746 -3.104 1.00 0.00 C ATOM 0 H ALA A 53 6.139 2.378 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 53 6.720 0.649 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.598 2.681 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.451 2.981 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.771 3.531 -3.349 1.00 0.00 H new ATOM 767 N LEU A 54 3.578 1.548 -3.575 1.00 0.00 N ATOM 768 CA LEU A 54 2.243 1.246 -3.087 1.00 0.00 C ATOM 769 C LEU A 54 1.916 -0.219 -3.385 1.00 0.00 C ATOM 770 O LEU A 54 1.160 -0.852 -2.649 1.00 0.00 O ATOM 771 CB LEU A 54 1.225 2.233 -3.663 1.00 0.00 C ATOM 772 CG LEU A 54 0.309 1.688 -4.760 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.888 0.949 -4.158 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.125 2.801 -5.715 1.00 0.00 C ATOM 0 H LEU A 54 3.609 2.206 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 54 2.195 1.371 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.603 2.600 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.766 3.091 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 54 0.873 0.963 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.523 0.572 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.534 0.115 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.461 1.633 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.775 2.386 -6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.664 3.568 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.755 3.243 -6.182 1.00 0.00 H new ATOM 786 N VAL A 55 2.500 -0.715 -4.465 1.00 0.00 N ATOM 787 CA VAL A 55 2.280 -2.093 -4.869 1.00 0.00 C ATOM 788 C VAL A 55 3.052 -3.024 -3.932 1.00 0.00 C ATOM 789 O VAL A 55 2.667 -4.176 -3.740 1.00 0.00 O ATOM 790 CB VAL A 55 2.662 -2.275 -6.340 1.00 0.00 C ATOM 791 CG1 VAL A 55 2.601 -3.749 -6.744 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.774 -1.420 -7.246 1.00 0.00 C ATOM 0 H VAL A 55 3.126 -0.187 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 55 1.224 -2.351 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 55 3.691 -1.937 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.877 -3.850 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.294 -4.324 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.588 -4.125 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.066 -1.568 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.732 -1.714 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.890 -0.369 -6.982 1.00 0.00 H new ATOM 802 N GLU A 56 4.128 -2.490 -3.373 1.00 0.00 N ATOM 803 CA GLU A 56 4.957 -3.259 -2.460 1.00 0.00 C ATOM 804 C GLU A 56 4.269 -3.389 -1.100 1.00 0.00 C ATOM 805 O GLU A 56 4.794 -4.035 -0.194 1.00 0.00 O ATOM 806 CB GLU A 56 6.343 -2.628 -2.316 1.00 0.00 C ATOM 807 CG GLU A 56 7.392 -3.425 -3.094 1.00 0.00 C ATOM 808 CD GLU A 56 8.732 -2.688 -3.121 1.00 0.00 C ATOM 809 OE1 GLU A 56 8.693 -1.441 -3.210 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.766 -3.387 -3.053 1.00 0.00 O ATOM 0 H GLU A 56 4.445 -1.534 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 56 5.090 -4.258 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.318 -1.601 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.620 -2.587 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.522 -4.406 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.044 -3.592 -4.113 1.00 0.00 H new ATOM 817 N ALA A 57 3.105 -2.764 -0.999 1.00 0.00 N ATOM 818 CA ALA A 57 2.340 -2.802 0.236 1.00 0.00 C ATOM 819 C ALA A 57 1.451 -4.047 0.242 1.00 0.00 C ATOM 820 O ALA A 57 0.896 -4.413 1.277 1.00 0.00 O ATOM 821 CB ALA A 57 1.534 -1.509 0.377 1.00 0.00 C ATOM 0 H ALA A 57 2.673 -2.229 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 57 3.005 -2.868 1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.960 -1.537 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.214 -0.657 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.853 -1.410 -0.469 1.00 0.00 H new ATOM 827 N LEU A 58 1.343 -4.663 -0.926 1.00 0.00 N ATOM 828 CA LEU A 58 0.530 -5.859 -1.068 1.00 0.00 C ATOM 829 C LEU A 58 1.215 -7.024 -0.350 1.00 0.00 C ATOM 830 O LEU A 58 0.611 -7.673 0.503 1.00 0.00 O ATOM 831 CB LEU A 58 0.236 -6.135 -2.544 1.00 0.00 C ATOM 832 CG LEU A 58 -1.227 -6.408 -2.897 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.162 -5.487 -2.111 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.456 -6.305 -4.406 1.00 0.00 C ATOM 0 H LEU A 58 1.805 -4.357 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.441 -5.718 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.576 -5.280 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.831 -6.993 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.463 -7.431 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.196 -5.702 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.024 -5.654 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.934 -4.448 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.504 -6.504 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.196 -5.302 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.831 -7.036 -4.920 1.00 0.00 H new ATOM 846 N PRO A 59 2.499 -7.259 -0.730 1.00 0.00 N ATOM 847 CA PRO A 59 3.272 -8.334 -0.132 1.00 0.00 C ATOM 848 C PRO A 59 3.723 -7.964 1.282 1.00 0.00 C ATOM 849 O PRO A 59 3.812 -8.826 2.155 1.00 0.00 O ATOM 850 CB PRO A 59 4.434 -8.561 -1.085 1.00 0.00 C ATOM 851 CG PRO A 59 4.528 -7.304 -1.935 1.00 0.00 C ATOM 852 CD PRO A 59 3.247 -6.511 -1.737 1.00 0.00 C ATOM 0 HA PRO A 59 2.693 -9.249 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.361 -8.732 -0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.264 -9.441 -1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.394 -6.710 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.658 -7.563 -2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.458 -5.496 -1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.685 -6.428 -2.667 1.00 0.00 H new ATOM 860 N ILE A 60 3.995 -6.680 1.465 1.00 0.00 N ATOM 861 CA ILE A 60 4.435 -6.185 2.758 1.00 0.00 C ATOM 862 C ILE A 60 3.346 -6.454 3.799 1.00 0.00 C ATOM 863 O ILE A 60 3.596 -7.111 4.809 1.00 0.00 O ATOM 864 CB ILE A 60 4.840 -4.713 2.659 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.295 -4.575 2.206 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.578 -3.982 3.977 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.677 -3.104 2.028 1.00 0.00 C ATOM 0 H ILE A 60 3.919 -5.968 0.739 1.00 0.00 H new ATOM 0 HA ILE A 60 5.329 -6.716 3.085 1.00 0.00 H new ATOM 0 HB ILE A 60 4.219 -4.238 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.954 -5.039 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.439 -5.108 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.875 -2.938 3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.516 -4.037 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.156 -4.450 4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.716 -3.034 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.032 -2.649 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.555 -2.579 2.976 1.00 0.00 H new ATOM 879 N ILE A 61 2.161 -5.932 3.518 1.00 0.00 N ATOM 880 CA ILE A 61 1.033 -6.108 4.417 1.00 0.00 C ATOM 881 C ILE A 61 0.763 -7.602 4.603 1.00 0.00 C ATOM 882 O ILE A 61 0.489 -8.053 5.714 1.00 0.00 O ATOM 883 CB ILE A 61 -0.179 -5.321 3.916 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.164 -3.841 3.733 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.382 -5.520 4.839 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.816 -3.165 2.773 1.00 0.00 C ATOM 0 H ILE A 61 1.958 -5.387 2.680 1.00 0.00 H new ATOM 0 HA ILE A 61 1.263 -5.701 5.402 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.457 -5.710 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.139 -3.336 4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.180 -3.744 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.230 -4.950 4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.643 -6.578 4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.132 -5.175 5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.549 -2.114 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.771 -3.656 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.828 -3.242 3.172 1.00 0.00 H new ATOM 898 N GLY A 62 0.849 -8.329 3.499 1.00 0.00 N ATOM 899 CA GLY A 62 0.617 -9.763 3.526 1.00 0.00 C ATOM 900 C GLY A 62 1.605 -10.460 4.464 1.00 0.00 C ATOM 901 O GLY A 62 1.261 -11.449 5.109 1.00 0.00 O ATOM 0 H GLY A 62 1.076 -7.951 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.403 -9.964 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.716 -10.170 2.520 1.00 0.00 H new ATOM 905 N VAL A 63 2.812 -9.917 4.510 1.00 0.00 N ATOM 906 CA VAL A 63 3.852 -10.474 5.359 1.00 0.00 C ATOM 907 C VAL A 63 3.465 -10.280 6.826 1.00 0.00 C ATOM 908 O VAL A 63 3.756 -11.131 7.666 1.00 0.00 O ATOM 909 CB VAL A 63 5.204 -9.849 5.009 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.182 -9.969 6.179 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.787 -10.477 3.741 1.00 0.00 C ATOM 0 H VAL A 63 3.094 -9.097 3.973 1.00 0.00 H new ATOM 0 HA VAL A 63 3.951 -11.546 5.188 1.00 0.00 H new ATOM 0 HB VAL A 63 5.043 -8.789 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.135 -9.517 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.774 -9.454 7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.335 -11.021 6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.748 -10.015 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.927 -11.547 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.102 -10.317 2.908 1.00 0.00 H new ATOM 921 N VAL A 64 2.816 -9.156 7.090 1.00 0.00 N ATOM 922 CA VAL A 64 2.387 -8.839 8.442 1.00 0.00 C ATOM 923 C VAL A 64 1.368 -9.882 8.906 1.00 0.00 C ATOM 924 O VAL A 64 1.513 -10.460 9.982 1.00 0.00 O ATOM 925 CB VAL A 64 1.847 -7.409 8.498 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.949 -7.209 9.721 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.988 -6.390 8.483 1.00 0.00 C ATOM 0 H VAL A 64 2.577 -8.453 6.391 1.00 0.00 H new ATOM 0 HA VAL A 64 3.231 -8.880 9.130 1.00 0.00 H new ATOM 0 HB VAL A 64 1.241 -7.245 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.579 -6.184 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.106 -7.899 9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.522 -7.402 10.628 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.576 -5.382 8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.633 -6.553 9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.569 -6.508 7.568 1.00 0.00 H new ATOM 937 N PHE A 65 0.360 -10.090 8.072 1.00 0.00 N ATOM 938 CA PHE A 65 -0.682 -11.053 8.383 1.00 0.00 C ATOM 939 C PHE A 65 -0.081 -12.406 8.768 1.00 0.00 C ATOM 940 O PHE A 65 -0.557 -13.060 9.695 1.00 0.00 O ATOM 941 CB PHE A 65 -1.526 -11.224 7.119 1.00 0.00 C ATOM 942 CG PHE A 65 -1.722 -12.680 6.693 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.257 -13.577 7.564 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.360 -13.078 5.444 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.439 -14.929 7.169 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.542 -14.430 5.049 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.077 -15.327 5.920 1.00 0.00 C ATOM 0 H PHE A 65 0.243 -9.608 7.181 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.277 -10.698 9.224 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.503 -10.770 7.283 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.053 -10.678 6.303 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.544 -13.261 8.556 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.934 -12.366 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.865 -15.641 7.860 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.255 -14.746 4.057 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.214 -16.355 5.620 1.00 0.00 H new ATOM 957 N SER A 66 0.955 -12.787 8.036 1.00 0.00 N ATOM 958 CA SER A 66 1.626 -14.051 8.288 1.00 0.00 C ATOM 959 C SER A 66 2.304 -14.019 9.660 1.00 0.00 C ATOM 960 O SER A 66 2.141 -14.940 10.458 1.00 0.00 O ATOM 961 CB SER A 66 2.653 -14.358 7.196 1.00 0.00 C ATOM 962 OG SER A 66 3.895 -13.701 7.432 1.00 0.00 O ATOM 0 H SER A 66 1.347 -12.242 7.268 1.00 0.00 H new ATOM 0 HA SER A 66 0.877 -14.843 8.277 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.816 -15.434 7.144 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.257 -14.049 6.229 1.00 0.00 H new ATOM 0 HG SER A 66 3.829 -12.765 7.148 1.00 0.00 H new ATOM 968 N PHE A 67 3.049 -12.948 9.891 1.00 0.00 N ATOM 969 CA PHE A 67 3.751 -12.784 11.152 1.00 0.00 C ATOM 970 C PHE A 67 2.780 -12.840 12.333 1.00 0.00 C ATOM 971 O PHE A 67 3.128 -13.332 13.405 1.00 0.00 O ATOM 972 CB PHE A 67 4.415 -11.405 11.118 1.00 0.00 C ATOM 973 CG PHE A 67 5.775 -11.352 11.818 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.836 -12.022 11.294 1.00 0.00 C ATOM 975 CD2 PHE A 67 5.922 -10.634 12.964 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.098 -11.972 11.944 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.184 -10.584 13.613 1.00 0.00 C ATOM 978 CZ PHE A 67 8.245 -11.254 13.089 1.00 0.00 C ATOM 0 H PHE A 67 3.182 -12.186 9.226 1.00 0.00 H new ATOM 0 HA PHE A 67 4.480 -13.584 11.278 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.540 -11.099 10.079 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.748 -10.680 11.586 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.719 -12.592 10.384 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.079 -10.102 13.380 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.941 -12.504 11.529 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.301 -10.014 14.523 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.205 -11.216 13.583 1.00 0.00 H new ATOM 988 N ILE A 68 1.581 -12.328 12.096 1.00 0.00 N ATOM 989 CA ILE A 68 0.556 -12.314 13.126 1.00 0.00 C ATOM 990 C ILE A 68 0.362 -13.732 13.666 1.00 0.00 C ATOM 991 O ILE A 68 0.470 -13.963 14.869 1.00 0.00 O ATOM 992 CB ILE A 68 -0.729 -11.676 12.595 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.863 -10.230 13.077 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.952 -12.518 12.963 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.324 -9.384 12.611 1.00 0.00 C ATOM 0 H ILE A 68 1.296 -11.920 11.206 1.00 0.00 H new ATOM 0 HA ILE A 68 0.868 -11.693 13.966 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.672 -11.649 11.507 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.791 -9.801 12.698 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.924 -10.210 14.165 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.852 -12.042 12.574 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.852 -13.514 12.531 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.025 -12.599 14.048 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.204 -8.361 12.967 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.248 -9.801 13.012 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.367 -9.386 11.522 1.00 0.00 H new ATOM 1007 N TYR A 69 0.078 -14.646 12.749 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.133 -16.035 13.118 1.00 0.00 C ATOM 1009 C TYR A 69 0.982 -16.533 14.039 1.00 0.00 C ATOM 1010 O TYR A 69 0.711 -17.144 15.072 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.091 -16.829 11.810 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.680 -18.237 11.918 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -1.880 -18.435 12.570 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.011 -19.309 11.364 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.434 -19.761 12.672 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -0.565 -20.635 11.465 1.00 0.00 C ATOM 1017 CZ TYR A 69 -1.749 -20.795 12.115 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.272 -22.047 12.210 1.00 0.00 O ATOM 0 H TYR A 69 -0.011 -14.451 11.752 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.078 -16.152 13.649 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.635 -16.276 11.044 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.944 -16.904 11.475 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.404 -17.596 13.004 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.928 -19.154 10.854 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.372 -19.930 13.179 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.052 -21.482 11.035 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.675 -22.685 11.766 1.00 0.00 H new ATOM 1028 N LEU A 70 2.211 -16.253 13.632 1.00 0.00 N ATOM 1029 CA LEU A 70 3.368 -16.665 14.409 1.00 0.00 C ATOM 1030 C LEU A 70 3.243 -16.119 15.832 1.00 0.00 C ATOM 1031 O LEU A 70 3.894 -16.614 16.751 1.00 0.00 O ATOM 1032 CB LEU A 70 4.661 -16.253 13.703 1.00 0.00 C ATOM 1033 CG LEU A 70 5.125 -17.164 12.565 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.251 -18.613 13.039 1.00 0.00 C ATOM 1035 CD2 LEU A 70 4.203 -17.036 11.351 1.00 0.00 C ATOM 0 H LEU A 70 2.431 -15.746 12.775 1.00 0.00 H new ATOM 0 HA LEU A 70 3.407 -17.751 14.487 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.529 -15.247 13.305 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.456 -16.200 14.447 1.00 0.00 H new ATOM 0 HG LEU A 70 6.118 -16.841 12.251 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.582 -19.239 12.211 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.978 -18.669 13.849 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.283 -18.965 13.395 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.555 -17.694 10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.189 -17.318 11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.208 -16.005 10.998 1.00 0.00 H new ATOM 1047 N GLY A 71 2.400 -15.106 15.971 1.00 0.00 N ATOM 1048 CA GLY A 71 2.181 -14.487 17.267 1.00 0.00 C ATOM 1049 C GLY A 71 2.799 -13.088 17.318 1.00 0.00 C ATOM 1050 O GLY A 71 3.109 -12.582 18.396 1.00 0.00 O ATOM 0 H GLY A 71 1.861 -14.699 15.207 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.111 -14.424 17.468 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.616 -15.109 18.049 1.00 0.00 H new ATOM 1054 N ARG A 72 2.961 -12.504 16.140 1.00 0.00 N ATOM 1055 CA ARG A 72 3.537 -11.174 16.037 1.00 0.00 C ATOM 1056 C ARG A 72 4.959 -11.166 16.602 1.00 0.00 C ATOM 1057 O ARG A 72 5.687 -12.149 16.473 1.00 0.00 O ATOM 1058 CB ARG A 72 2.690 -10.147 16.792 1.00 0.00 C ATOM 1059 CG ARG A 72 1.470 -9.731 15.968 1.00 0.00 C ATOM 1060 CD ARG A 72 0.186 -10.324 16.553 1.00 0.00 C ATOM 1061 NE ARG A 72 -0.810 -9.252 16.777 1.00 0.00 N ATOM 1062 CZ ARG A 72 -0.865 -8.497 17.882 1.00 0.00 C ATOM 1063 NH1 ARG A 72 0.018 -8.691 18.871 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -1.803 -7.547 17.999 1.00 0.00 N ATOM 0 H ARG A 72 2.703 -12.927 15.249 1.00 0.00 H new ATOM 0 HA ARG A 72 3.560 -10.904 14.981 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.365 -10.568 17.743 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.295 -9.270 17.022 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.395 -8.644 15.945 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.592 -10.064 14.937 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.221 -11.073 15.874 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.405 -10.831 17.493 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.497 -9.077 16.044 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.732 -9.414 18.782 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.024 -8.116 19.712 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.475 -7.399 17.246 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.845 -6.972 18.841 1.00 0.00 H new TER 1078 ARG A 72