USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.225 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -34:sc= 0.415 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -65:sc= 0.839 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 70:sc= 0.806 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.966 -12.684 25.151 1.00 0.00 N ATOM 2 CA MET A 1 -5.894 -13.412 24.495 1.00 0.00 C ATOM 3 C MET A 1 -6.299 -14.864 24.229 1.00 0.00 C ATOM 4 O MET A 1 -6.312 -15.686 25.144 1.00 0.00 O ATOM 5 CB MET A 1 -4.644 -13.385 25.377 1.00 0.00 C ATOM 6 CG MET A 1 -3.704 -12.252 24.960 1.00 0.00 C ATOM 7 SD MET A 1 -2.263 -12.235 26.014 1.00 0.00 S ATOM 8 CE MET A 1 -2.672 -10.859 27.075 1.00 0.00 C ATOM 0 H1 MET A 1 -6.666 -11.703 25.320 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.811 -12.688 24.544 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.190 -13.139 26.059 1.00 0.00 H new ATOM 0 HA MET A 1 -5.686 -12.931 23.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.933 -13.257 26.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.123 -14.340 25.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.403 -12.382 23.921 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.223 -11.296 25.024 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.872 -10.708 27.800 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.791 -9.958 26.473 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.603 -11.069 27.601 1.00 0.00 H new ATOM 18 N SER A 2 -6.620 -15.134 22.972 1.00 0.00 N ATOM 19 CA SER A 2 -7.025 -16.471 22.574 1.00 0.00 C ATOM 20 C SER A 2 -6.702 -16.698 21.096 1.00 0.00 C ATOM 21 O SER A 2 -5.935 -15.942 20.502 1.00 0.00 O ATOM 22 CB SER A 2 -8.517 -16.695 22.832 1.00 0.00 C ATOM 23 OG SER A 2 -9.318 -16.264 21.736 1.00 0.00 O ATOM 0 H SER A 2 -6.608 -14.449 22.216 1.00 0.00 H new ATOM 0 HA SER A 2 -6.468 -17.190 23.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.698 -17.753 23.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.814 -16.157 23.732 1.00 0.00 H new ATOM 0 HG SER A 2 -10.263 -16.425 21.938 1.00 0.00 H new ATOM 29 N LEU A 3 -7.304 -17.741 20.545 1.00 0.00 N ATOM 30 CA LEU A 3 -7.090 -18.077 19.147 1.00 0.00 C ATOM 31 C LEU A 3 -8.029 -17.239 18.277 1.00 0.00 C ATOM 32 O LEU A 3 -7.726 -16.966 17.116 1.00 0.00 O ATOM 33 CB LEU A 3 -7.232 -19.585 18.930 1.00 0.00 C ATOM 34 CG LEU A 3 -5.989 -20.307 18.406 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.781 -21.637 19.132 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.059 -20.487 16.888 1.00 0.00 C ATOM 0 H LEU A 3 -7.940 -18.365 21.041 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.071 -17.830 18.847 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.522 -20.042 19.876 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.049 -19.756 18.230 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.118 -19.686 18.617 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.891 -22.130 18.741 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.654 -21.453 20.199 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.649 -22.277 18.975 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.164 -21.003 16.541 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.939 -21.076 16.632 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.124 -19.510 16.408 1.00 0.00 H new ATOM 48 N GLY A 4 -9.149 -16.855 18.871 1.00 0.00 N ATOM 49 CA GLY A 4 -10.134 -16.054 18.164 1.00 0.00 C ATOM 50 C GLY A 4 -9.578 -14.667 17.834 1.00 0.00 C ATOM 51 O GLY A 4 -9.633 -14.229 16.685 1.00 0.00 O ATOM 0 H GLY A 4 -9.396 -17.084 19.834 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.427 -16.560 17.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.032 -15.954 18.774 1.00 0.00 H new ATOM 55 N VAL A 5 -9.056 -14.014 18.861 1.00 0.00 N ATOM 56 CA VAL A 5 -8.490 -12.686 18.695 1.00 0.00 C ATOM 57 C VAL A 5 -7.394 -12.733 17.629 1.00 0.00 C ATOM 58 O VAL A 5 -7.305 -11.842 16.785 1.00 0.00 O ATOM 59 CB VAL A 5 -7.993 -12.156 20.042 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.534 -12.550 20.281 1.00 0.00 C ATOM 61 CG2 VAL A 5 -8.174 -10.640 20.135 1.00 0.00 C ATOM 0 H VAL A 5 -9.013 -14.380 19.812 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.251 -11.987 18.348 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.596 -12.614 20.826 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.205 -12.161 21.245 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.445 -13.636 20.279 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.910 -12.133 19.490 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.813 -10.289 21.102 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.608 -10.156 19.339 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.230 -10.393 20.031 1.00 0.00 H new ATOM 71 N LEU A 6 -6.586 -13.781 17.703 1.00 0.00 N ATOM 72 CA LEU A 6 -5.499 -13.955 16.755 1.00 0.00 C ATOM 73 C LEU A 6 -6.059 -13.920 15.331 1.00 0.00 C ATOM 74 O LEU A 6 -5.576 -13.164 14.489 1.00 0.00 O ATOM 75 CB LEU A 6 -4.709 -15.226 17.073 1.00 0.00 C ATOM 76 CG LEU A 6 -3.344 -15.355 16.395 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.833 -16.796 16.460 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.393 -14.828 14.960 1.00 0.00 C ATOM 0 H LEU A 6 -6.663 -14.518 18.404 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.786 -13.135 16.838 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.563 -15.279 18.152 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.315 -16.087 16.791 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.632 -14.736 16.941 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.861 -16.860 15.971 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.735 -17.101 17.502 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.538 -17.455 15.954 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.410 -14.931 14.501 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.123 -15.400 14.387 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.681 -13.777 14.968 1.00 0.00 H new ATOM 90 N ALA A 7 -7.069 -14.747 15.106 1.00 0.00 N ATOM 91 CA ALA A 7 -7.699 -14.820 13.799 1.00 0.00 C ATOM 92 C ALA A 7 -8.094 -13.412 13.349 1.00 0.00 C ATOM 93 O ALA A 7 -8.091 -13.115 12.155 1.00 0.00 O ATOM 94 CB ALA A 7 -8.897 -15.770 13.862 1.00 0.00 C ATOM 0 H ALA A 7 -7.467 -15.372 15.807 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.005 -15.220 13.060 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.370 -15.825 12.881 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.559 -16.763 14.158 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.617 -15.400 14.592 1.00 0.00 H new ATOM 100 N ALA A 8 -8.425 -12.584 14.328 1.00 0.00 N ATOM 101 CA ALA A 8 -8.822 -11.214 14.047 1.00 0.00 C ATOM 102 C ALA A 8 -7.604 -10.424 13.562 1.00 0.00 C ATOM 103 O ALA A 8 -7.740 -9.492 12.772 1.00 0.00 O ATOM 104 CB ALA A 8 -9.455 -10.600 15.297 1.00 0.00 C ATOM 0 H ALA A 8 -8.427 -12.835 15.317 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.570 -11.186 13.255 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.753 -9.573 15.087 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.332 -11.181 15.583 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.732 -10.608 16.113 1.00 0.00 H new ATOM 110 N ALA A 9 -6.443 -10.827 14.056 1.00 0.00 N ATOM 111 CA ALA A 9 -5.202 -10.168 13.683 1.00 0.00 C ATOM 112 C ALA A 9 -4.848 -10.538 12.241 1.00 0.00 C ATOM 113 O ALA A 9 -4.207 -9.759 11.536 1.00 0.00 O ATOM 114 CB ALA A 9 -4.101 -10.555 14.672 1.00 0.00 C ATOM 0 H ALA A 9 -6.335 -11.601 14.711 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.313 -9.085 13.728 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.171 -10.061 14.392 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.389 -10.245 15.677 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.958 -11.635 14.653 1.00 0.00 H new ATOM 120 N ILE A 10 -5.279 -11.727 11.846 1.00 0.00 N ATOM 121 CA ILE A 10 -5.015 -12.209 10.501 1.00 0.00 C ATOM 122 C ILE A 10 -5.996 -11.553 9.527 1.00 0.00 C ATOM 123 O ILE A 10 -5.583 -10.934 8.547 1.00 0.00 O ATOM 124 CB ILE A 10 -5.043 -13.738 10.465 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.631 -14.315 10.591 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.759 -14.245 9.211 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.585 -15.428 11.640 1.00 0.00 C ATOM 0 H ILE A 10 -5.809 -12.371 12.434 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.012 -11.924 10.184 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.613 -14.089 11.325 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.307 -14.706 9.627 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.934 -13.523 10.865 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.764 -15.335 9.211 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.785 -13.877 9.204 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.238 -13.885 8.324 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.571 -15.821 11.710 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.887 -15.028 12.608 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.265 -16.229 11.351 1.00 0.00 H new ATOM 139 N ALA A 11 -7.276 -11.711 9.829 1.00 0.00 N ATOM 140 CA ALA A 11 -8.319 -11.142 8.993 1.00 0.00 C ATOM 141 C ALA A 11 -8.053 -9.648 8.799 1.00 0.00 C ATOM 142 O ALA A 11 -8.473 -9.063 7.802 1.00 0.00 O ATOM 143 CB ALA A 11 -9.685 -11.414 9.624 1.00 0.00 C ATOM 0 H ALA A 11 -7.615 -12.225 10.642 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.317 -11.608 8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.467 -10.987 8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.837 -12.490 9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.725 -10.960 10.614 1.00 0.00 H new ATOM 149 N VAL A 12 -7.356 -9.073 9.769 1.00 0.00 N ATOM 150 CA VAL A 12 -7.029 -7.658 9.718 1.00 0.00 C ATOM 151 C VAL A 12 -5.917 -7.433 8.692 1.00 0.00 C ATOM 152 O VAL A 12 -6.056 -6.607 7.791 1.00 0.00 O ATOM 153 CB VAL A 12 -6.664 -7.155 11.116 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.535 -6.124 11.049 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.890 -6.581 11.829 1.00 0.00 C ATOM 0 H VAL A 12 -7.009 -9.562 10.594 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.893 -7.077 9.394 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.307 -8.006 11.697 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.294 -5.782 12.056 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.653 -6.579 10.600 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.853 -5.275 10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.603 -6.231 12.821 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.290 -5.748 11.251 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.651 -7.355 11.924 1.00 0.00 H new ATOM 165 N GLY A 13 -4.838 -8.183 8.862 1.00 0.00 N ATOM 166 CA GLY A 13 -3.702 -8.076 7.962 1.00 0.00 C ATOM 167 C GLY A 13 -4.143 -8.218 6.504 1.00 0.00 C ATOM 168 O GLY A 13 -3.608 -7.549 5.621 1.00 0.00 O ATOM 0 H GLY A 13 -4.726 -8.868 9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.210 -7.114 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.970 -8.847 8.201 1.00 0.00 H new ATOM 172 N LEU A 14 -5.115 -9.095 6.295 1.00 0.00 N ATOM 173 CA LEU A 14 -5.633 -9.334 4.959 1.00 0.00 C ATOM 174 C LEU A 14 -6.460 -8.126 4.514 1.00 0.00 C ATOM 175 O LEU A 14 -6.469 -7.776 3.335 1.00 0.00 O ATOM 176 CB LEU A 14 -6.402 -10.656 4.912 1.00 0.00 C ATOM 177 CG LEU A 14 -7.586 -10.709 3.944 1.00 0.00 C ATOM 178 CD1 LEU A 14 -7.108 -10.672 2.491 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.470 -11.925 4.226 1.00 0.00 C ATOM 0 H LEU A 14 -5.557 -9.648 7.029 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.815 -9.441 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.704 -11.450 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.768 -10.877 5.915 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.199 -9.822 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.969 -10.711 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.553 -9.751 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.461 -11.528 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.304 -11.939 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.883 -12.836 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.854 -11.867 5.245 1.00 0.00 H new ATOM 191 N GLY A 15 -7.134 -7.521 5.482 1.00 0.00 N ATOM 192 CA GLY A 15 -7.962 -6.360 5.204 1.00 0.00 C ATOM 193 C GLY A 15 -7.101 -5.146 4.846 1.00 0.00 C ATOM 194 O GLY A 15 -7.367 -4.461 3.860 1.00 0.00 O ATOM 0 H GLY A 15 -7.123 -7.813 6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.643 -6.583 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.577 -6.130 6.074 1.00 0.00 H new ATOM 198 N ALA A 16 -6.087 -4.918 5.667 1.00 0.00 N ATOM 199 CA ALA A 16 -5.186 -3.799 5.450 1.00 0.00 C ATOM 200 C ALA A 16 -4.315 -4.082 4.225 1.00 0.00 C ATOM 201 O ALA A 16 -3.692 -3.173 3.678 1.00 0.00 O ATOM 202 CB ALA A 16 -4.356 -3.559 6.713 1.00 0.00 C ATOM 0 H ALA A 16 -5.869 -5.489 6.484 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.748 -2.886 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.680 -2.720 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.020 -3.334 7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.776 -4.453 6.942 1.00 0.00 H new ATOM 208 N LEU A 17 -4.299 -5.346 3.828 1.00 0.00 N ATOM 209 CA LEU A 17 -3.515 -5.760 2.677 1.00 0.00 C ATOM 210 C LEU A 17 -4.151 -5.199 1.404 1.00 0.00 C ATOM 211 O LEU A 17 -3.516 -4.445 0.668 1.00 0.00 O ATOM 212 CB LEU A 17 -3.347 -7.280 2.663 1.00 0.00 C ATOM 213 CG LEU A 17 -2.711 -7.873 1.403 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.591 -8.851 1.763 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.769 -8.518 0.506 1.00 0.00 C ATOM 0 H LEU A 17 -4.817 -6.097 4.283 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.506 -5.352 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.740 -7.567 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.328 -7.735 2.800 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.259 -7.061 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.156 -9.258 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.821 -8.329 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.997 -9.664 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.290 -8.931 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.272 -9.316 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.500 -7.767 0.208 1.00 0.00 H new ATOM 227 N GLY A 18 -5.398 -5.589 1.182 1.00 0.00 N ATOM 228 CA GLY A 18 -6.127 -5.135 0.010 1.00 0.00 C ATOM 229 C GLY A 18 -6.620 -3.698 0.194 1.00 0.00 C ATOM 230 O GLY A 18 -6.832 -2.981 -0.782 1.00 0.00 O ATOM 0 H GLY A 18 -5.922 -6.214 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.484 -5.193 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.976 -5.794 -0.173 1.00 0.00 H new ATOM 234 N ALA A 19 -6.789 -3.321 1.453 1.00 0.00 N ATOM 235 CA ALA A 19 -7.253 -1.983 1.778 1.00 0.00 C ATOM 236 C ALA A 19 -6.100 -0.993 1.608 1.00 0.00 C ATOM 237 O ALA A 19 -6.258 0.047 0.969 1.00 0.00 O ATOM 238 CB ALA A 19 -7.827 -1.972 3.196 1.00 0.00 C ATOM 0 H ALA A 19 -6.613 -3.919 2.260 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.051 -1.679 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.175 -0.968 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.662 -2.670 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.054 -2.270 3.904 1.00 0.00 H new ATOM 244 N GLY A 20 -4.964 -1.349 2.191 1.00 0.00 N ATOM 245 CA GLY A 20 -3.785 -0.505 2.112 1.00 0.00 C ATOM 246 C GLY A 20 -3.436 -0.184 0.657 1.00 0.00 C ATOM 247 O GLY A 20 -3.199 0.973 0.312 1.00 0.00 O ATOM 0 H GLY A 20 -4.836 -2.211 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.959 0.421 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.943 -1.005 2.590 1.00 0.00 H new ATOM 251 N ILE A 21 -3.417 -1.229 -0.158 1.00 0.00 N ATOM 252 CA ILE A 21 -3.102 -1.073 -1.568 1.00 0.00 C ATOM 253 C ILE A 21 -3.991 0.019 -2.167 1.00 0.00 C ATOM 254 O ILE A 21 -3.592 0.700 -3.110 1.00 0.00 O ATOM 255 CB ILE A 21 -3.207 -2.417 -2.292 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.260 -2.467 -3.493 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.654 -2.714 -2.690 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.820 -2.727 -3.045 1.00 0.00 C ATOM 0 H ILE A 21 -3.615 -2.187 0.131 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.069 -0.749 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.896 -3.202 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.578 -3.252 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.310 -1.525 -4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.700 -3.675 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.277 -2.749 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.017 -1.930 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.167 -2.758 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.497 -1.928 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.769 -3.681 -2.520 1.00 0.00 H new ATOM 270 N GLY A 22 -5.178 0.152 -1.594 1.00 0.00 N ATOM 271 CA GLY A 22 -6.126 1.149 -2.060 1.00 0.00 C ATOM 272 C GLY A 22 -5.698 2.555 -1.632 1.00 0.00 C ATOM 273 O GLY A 22 -5.862 3.513 -2.385 1.00 0.00 O ATOM 0 H GLY A 22 -5.505 -0.414 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.203 1.103 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.116 0.929 -1.661 1.00 0.00 H new ATOM 277 N ASN A 23 -5.157 2.632 -0.426 1.00 0.00 N ATOM 278 CA ASN A 23 -4.703 3.904 0.111 1.00 0.00 C ATOM 279 C ASN A 23 -3.554 4.435 -0.748 1.00 0.00 C ATOM 280 O ASN A 23 -3.471 5.634 -1.009 1.00 0.00 O ATOM 281 CB ASN A 23 -4.189 3.746 1.543 1.00 0.00 C ATOM 282 CG ASN A 23 -5.038 4.558 2.524 1.00 0.00 C ATOM 283 OD1 ASN A 23 -5.905 4.042 3.209 1.00 0.00 O ATOM 284 ND2 ASN A 23 -4.741 5.854 2.552 1.00 0.00 N ATOM 0 H ASN A 23 -5.022 1.834 0.195 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.548 4.593 0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.207 2.693 1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.151 4.073 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.252 6.481 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.003 6.221 1.952 1.00 0.00 H new ATOM 291 N GLY A 24 -2.696 3.515 -1.165 1.00 0.00 N ATOM 292 CA GLY A 24 -1.555 3.876 -1.990 1.00 0.00 C ATOM 293 C GLY A 24 -1.996 4.223 -3.414 1.00 0.00 C ATOM 294 O GLY A 24 -1.328 4.992 -4.103 1.00 0.00 O ATOM 0 H GLY A 24 -2.768 2.521 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.037 4.727 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.845 3.050 -2.017 1.00 0.00 H new ATOM 298 N LEU A 25 -3.117 3.639 -3.811 1.00 0.00 N ATOM 299 CA LEU A 25 -3.654 3.878 -5.140 1.00 0.00 C ATOM 300 C LEU A 25 -4.212 5.300 -5.212 1.00 0.00 C ATOM 301 O LEU A 25 -4.129 5.951 -6.253 1.00 0.00 O ATOM 302 CB LEU A 25 -4.674 2.798 -5.507 1.00 0.00 C ATOM 303 CG LEU A 25 -4.099 1.425 -5.862 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.092 0.311 -5.526 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.658 1.377 -7.326 1.00 0.00 C ATOM 0 H LEU A 25 -3.668 3.001 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.865 3.807 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.362 2.676 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.262 3.154 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.211 1.259 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.658 -0.654 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.314 0.331 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.012 0.461 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.253 0.390 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.515 1.574 -7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.891 2.132 -7.500 1.00 0.00 H new ATOM 317 N ILE A 26 -4.767 5.741 -4.093 1.00 0.00 N ATOM 318 CA ILE A 26 -5.339 7.075 -4.017 1.00 0.00 C ATOM 319 C ILE A 26 -4.212 8.110 -4.031 1.00 0.00 C ATOM 320 O ILE A 26 -4.357 9.184 -4.614 1.00 0.00 O ATOM 321 CB ILE A 26 -6.266 7.192 -2.805 1.00 0.00 C ATOM 322 CG1 ILE A 26 -7.457 6.242 -2.932 1.00 0.00 C ATOM 323 CG2 ILE A 26 -6.708 8.641 -2.591 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.301 6.581 -4.163 1.00 0.00 C ATOM 0 H ILE A 26 -4.833 5.199 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.964 7.272 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.708 6.891 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.101 5.214 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.074 6.305 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.366 8.696 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.832 9.268 -2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.241 8.993 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.141 5.890 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.676 7.601 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.688 6.494 -5.060 1.00 0.00 H new ATOM 336 N VAL A 27 -3.113 7.750 -3.384 1.00 0.00 N ATOM 337 CA VAL A 27 -1.962 8.634 -3.315 1.00 0.00 C ATOM 338 C VAL A 27 -1.260 8.657 -4.674 1.00 0.00 C ATOM 339 O VAL A 27 -0.814 9.710 -5.129 1.00 0.00 O ATOM 340 CB VAL A 27 -1.039 8.204 -2.173 1.00 0.00 C ATOM 341 CG1 VAL A 27 0.080 9.225 -1.957 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.831 7.978 -0.884 1.00 0.00 C ATOM 0 H VAL A 27 -2.995 6.858 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.277 9.654 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.578 7.257 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.721 8.895 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.671 9.315 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.354 10.194 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.151 7.673 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.333 8.903 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.574 7.197 -1.046 1.00 0.00 H new ATOM 352 N SER A 28 -1.184 7.484 -5.285 1.00 0.00 N ATOM 353 CA SER A 28 -0.544 7.356 -6.583 1.00 0.00 C ATOM 354 C SER A 28 -1.406 8.019 -7.659 1.00 0.00 C ATOM 355 O SER A 28 -0.890 8.488 -8.672 1.00 0.00 O ATOM 356 CB SER A 28 -0.295 5.887 -6.933 1.00 0.00 C ATOM 357 OG SER A 28 -1.481 5.237 -7.380 1.00 0.00 O ATOM 0 H SER A 28 -1.555 6.613 -4.905 1.00 0.00 H new ATOM 0 HA SER A 28 0.422 7.859 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.468 5.823 -7.709 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.096 5.367 -6.058 1.00 0.00 H new ATOM 0 HG SER A 28 -2.254 5.599 -6.898 1.00 0.00 H new ATOM 363 N ARG A 29 -2.706 8.036 -7.403 1.00 0.00 N ATOM 364 CA ARG A 29 -3.645 8.634 -8.337 1.00 0.00 C ATOM 365 C ARG A 29 -3.632 10.158 -8.201 1.00 0.00 C ATOM 366 O ARG A 29 -3.490 10.872 -9.193 1.00 0.00 O ATOM 367 CB ARG A 29 -5.065 8.119 -8.095 1.00 0.00 C ATOM 368 CG ARG A 29 -6.034 8.671 -9.143 1.00 0.00 C ATOM 369 CD ARG A 29 -5.908 7.907 -10.463 1.00 0.00 C ATOM 370 NE ARG A 29 -7.184 7.228 -10.779 1.00 0.00 N ATOM 371 CZ ARG A 29 -7.305 6.229 -11.664 1.00 0.00 C ATOM 372 NH1 ARG A 29 -6.227 5.788 -12.327 1.00 0.00 N ATOM 373 NH2 ARG A 29 -8.503 5.672 -11.886 1.00 0.00 N ATOM 0 H ARG A 29 -3.131 7.645 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.335 8.354 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.071 7.029 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.397 8.411 -7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.056 8.598 -8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.831 9.729 -9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.644 8.594 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.104 7.174 -10.393 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.025 7.540 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.315 6.213 -12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.318 5.028 -13.001 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.323 6.008 -11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.595 4.912 -12.560 1.00 0.00 H new ATOM 387 N THR A 30 -3.783 10.611 -6.965 1.00 0.00 N ATOM 388 CA THR A 30 -3.790 12.037 -6.687 1.00 0.00 C ATOM 389 C THR A 30 -2.479 12.677 -7.146 1.00 0.00 C ATOM 390 O THR A 30 -2.481 13.769 -7.711 1.00 0.00 O ATOM 391 CB THR A 30 -4.068 12.226 -5.194 1.00 0.00 C ATOM 392 OG1 THR A 30 -3.892 13.624 -4.983 1.00 0.00 O ATOM 393 CG2 THR A 30 -2.999 11.578 -4.313 1.00 0.00 C ATOM 0 H THR A 30 -3.901 10.016 -6.145 1.00 0.00 H new ATOM 0 HA THR A 30 -4.576 12.545 -7.246 1.00 0.00 H new ATOM 0 HB THR A 30 -5.043 11.805 -4.950 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.055 13.836 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.244 11.742 -3.264 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.962 10.507 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.028 12.023 -4.532 1.00 0.00 H new ATOM 401 N ILE A 31 -1.389 11.969 -6.887 1.00 0.00 N ATOM 402 CA ILE A 31 -0.073 12.454 -7.267 1.00 0.00 C ATOM 403 C ILE A 31 0.009 12.550 -8.791 1.00 0.00 C ATOM 404 O ILE A 31 0.585 13.496 -9.327 1.00 0.00 O ATOM 405 CB ILE A 31 1.019 11.581 -6.646 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.377 12.284 -6.696 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.062 10.202 -7.308 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.646 13.053 -5.401 1.00 0.00 C ATOM 0 H ILE A 31 -1.391 11.063 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 31 0.092 13.457 -6.875 1.00 0.00 H new ATOM 0 HB ILE A 31 0.775 11.425 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.165 11.548 -6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.404 12.970 -7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.847 9.602 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.101 9.705 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.269 10.316 -8.372 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.618 13.543 -5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.870 13.804 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.643 12.361 -4.559 1.00 0.00 H new ATOM 420 N GLU A 32 -0.575 11.558 -9.448 1.00 0.00 N ATOM 421 CA GLU A 32 -0.575 11.520 -10.900 1.00 0.00 C ATOM 422 C GLU A 32 -1.406 12.675 -11.462 1.00 0.00 C ATOM 423 O GLU A 32 -1.150 13.148 -12.568 1.00 0.00 O ATOM 424 CB GLU A 32 -1.090 10.174 -11.413 1.00 0.00 C ATOM 425 CG GLU A 32 -2.516 10.302 -11.952 1.00 0.00 C ATOM 426 CD GLU A 32 -2.512 10.801 -13.399 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.584 10.402 -14.134 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.437 11.571 -13.736 1.00 0.00 O ATOM 0 H GLU A 32 -1.051 10.775 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 32 0.452 11.635 -11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.432 9.805 -12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.066 9.440 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.017 9.336 -11.898 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.084 10.991 -11.327 1.00 0.00 H new ATOM 435 N GLY A 33 -2.384 13.096 -10.674 1.00 0.00 N ATOM 436 CA GLY A 33 -3.254 14.187 -11.079 1.00 0.00 C ATOM 437 C GLY A 33 -2.496 15.516 -11.095 1.00 0.00 C ATOM 438 O GLY A 33 -2.728 16.356 -11.964 1.00 0.00 O ATOM 0 H GLY A 33 -2.593 12.701 -9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.660 13.984 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.100 14.255 -10.395 1.00 0.00 H new ATOM 442 N ILE A 34 -1.606 15.665 -10.125 1.00 0.00 N ATOM 443 CA ILE A 34 -0.813 16.877 -10.017 1.00 0.00 C ATOM 444 C ILE A 34 0.271 16.870 -11.097 1.00 0.00 C ATOM 445 O ILE A 34 0.692 17.927 -11.566 1.00 0.00 O ATOM 446 CB ILE A 34 -0.265 17.035 -8.597 1.00 0.00 C ATOM 447 CG1 ILE A 34 1.127 16.413 -8.475 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.241 16.463 -7.567 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.218 17.469 -8.664 1.00 0.00 C ATOM 0 H ILE A 34 -1.417 14.966 -9.407 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.434 17.755 -10.193 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.161 18.099 -8.386 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.235 15.944 -7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.244 15.626 -9.220 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.828 16.588 -6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.192 16.990 -7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.399 15.403 -7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.198 17.000 -8.572 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.122 17.919 -9.652 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.113 18.241 -7.902 1.00 0.00 H new ATOM 461 N ALA A 35 0.692 15.667 -11.460 1.00 0.00 N ATOM 462 CA ALA A 35 1.719 15.509 -12.476 1.00 0.00 C ATOM 463 C ALA A 35 1.132 15.852 -13.846 1.00 0.00 C ATOM 464 O ALA A 35 1.870 16.055 -14.809 1.00 0.00 O ATOM 465 CB ALA A 35 2.276 14.085 -12.420 1.00 0.00 C ATOM 0 H ALA A 35 0.341 14.793 -11.069 1.00 0.00 H new ATOM 0 HA ALA A 35 2.549 16.192 -12.293 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.046 13.965 -13.182 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.707 13.901 -11.436 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.472 13.372 -12.602 1.00 0.00 H new ATOM 471 N ARG A 36 -0.191 15.907 -13.891 1.00 0.00 N ATOM 472 CA ARG A 36 -0.886 16.222 -15.128 1.00 0.00 C ATOM 473 C ARG A 36 -0.333 17.514 -15.733 1.00 0.00 C ATOM 474 O ARG A 36 0.113 17.526 -16.879 1.00 0.00 O ATOM 475 CB ARG A 36 -2.389 16.381 -14.890 1.00 0.00 C ATOM 476 CG ARG A 36 -3.052 15.024 -14.645 1.00 0.00 C ATOM 477 CD ARG A 36 -4.574 15.161 -14.579 1.00 0.00 C ATOM 478 NE ARG A 36 -5.190 14.541 -15.773 1.00 0.00 N ATOM 479 CZ ARG A 36 -6.491 14.234 -15.874 1.00 0.00 C ATOM 480 NH1 ARG A 36 -7.320 14.488 -14.853 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.962 13.673 -16.996 1.00 0.00 N ATOM 0 H ARG A 36 -0.800 15.739 -13.091 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.725 15.395 -15.819 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.558 17.032 -14.033 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.848 16.864 -15.753 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.780 14.333 -15.443 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.681 14.597 -13.713 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.952 14.683 -13.675 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.851 16.214 -14.522 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.587 14.334 -16.569 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.961 14.915 -13.999 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.310 14.255 -14.930 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.331 13.479 -17.773 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.952 13.439 -17.073 1.00 0.00 H new ATOM 495 N GLN A 37 -0.380 18.571 -14.935 1.00 0.00 N ATOM 496 CA GLN A 37 0.110 19.865 -15.377 1.00 0.00 C ATOM 497 C GLN A 37 1.508 19.724 -15.984 1.00 0.00 C ATOM 498 O GLN A 37 2.174 18.709 -15.787 1.00 0.00 O ATOM 499 CB GLN A 37 0.112 20.874 -14.227 1.00 0.00 C ATOM 500 CG GLN A 37 -1.174 21.703 -14.223 1.00 0.00 C ATOM 501 CD GLN A 37 -0.923 23.102 -13.658 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.945 23.329 -12.460 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.683 24.025 -14.586 1.00 0.00 N ATOM 0 H GLN A 37 -0.750 18.557 -13.985 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.564 20.242 -16.146 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.213 20.348 -13.277 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.974 21.534 -14.319 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.563 21.781 -15.238 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.935 21.198 -13.628 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.679 23.767 -15.573 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.503 24.990 -14.310 1.00 0.00 H new ATOM 512 N PRO A 38 1.921 20.784 -16.729 1.00 0.00 N ATOM 513 CA PRO A 38 3.227 20.788 -17.366 1.00 0.00 C ATOM 514 C PRO A 38 4.336 21.032 -16.341 1.00 0.00 C ATOM 515 O PRO A 38 5.383 20.387 -16.388 1.00 0.00 O ATOM 516 CB PRO A 38 3.146 21.877 -18.424 1.00 0.00 C ATOM 517 CG PRO A 38 1.966 22.751 -18.032 1.00 0.00 C ATOM 518 CD PRO A 38 1.158 22.003 -16.984 1.00 0.00 C ATOM 0 HA PRO A 38 3.477 19.829 -17.819 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.068 22.458 -18.458 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.002 21.448 -19.416 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.313 23.706 -17.636 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.349 22.972 -18.903 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.042 22.595 -16.076 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.155 21.774 -17.346 1.00 0.00 H new ATOM 526 N GLU A 39 4.069 21.964 -15.438 1.00 0.00 N ATOM 527 CA GLU A 39 5.031 22.302 -14.403 1.00 0.00 C ATOM 528 C GLU A 39 5.303 21.086 -13.515 1.00 0.00 C ATOM 529 O GLU A 39 6.248 21.087 -12.727 1.00 0.00 O ATOM 530 CB GLU A 39 4.548 23.491 -13.572 1.00 0.00 C ATOM 531 CG GLU A 39 5.730 24.280 -13.005 1.00 0.00 C ATOM 532 CD GLU A 39 5.247 25.447 -12.140 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.341 26.167 -12.614 1.00 0.00 O ATOM 534 OE2 GLU A 39 5.794 25.592 -11.026 1.00 0.00 O ATOM 0 H GLU A 39 3.199 22.496 -15.402 1.00 0.00 H new ATOM 0 HA GLU A 39 5.965 22.593 -14.883 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.933 24.145 -14.190 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.918 23.137 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.361 23.619 -12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.345 24.658 -13.822 1.00 0.00 H new ATOM 541 N LEU A 40 4.458 20.078 -13.671 1.00 0.00 N ATOM 542 CA LEU A 40 4.595 18.858 -12.893 1.00 0.00 C ATOM 543 C LEU A 40 4.911 17.692 -13.832 1.00 0.00 C ATOM 544 O LEU A 40 4.506 16.559 -13.578 1.00 0.00 O ATOM 545 CB LEU A 40 3.354 18.632 -12.028 1.00 0.00 C ATOM 546 CG LEU A 40 2.985 19.770 -11.074 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.239 20.432 -10.499 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.065 20.783 -11.759 1.00 0.00 C ATOM 0 H LEU A 40 3.675 20.081 -14.325 1.00 0.00 H new ATOM 0 HA LEU A 40 5.429 18.942 -12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.505 18.447 -12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.505 17.726 -11.440 1.00 0.00 H new ATOM 0 HG LEU A 40 2.431 19.347 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.948 21.237 -9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.822 19.692 -9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.841 20.839 -11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.818 21.581 -11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.571 21.205 -12.627 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.150 20.285 -12.079 1.00 0.00 H new ATOM 560 N ARG A 41 5.632 18.010 -14.898 1.00 0.00 N ATOM 561 CA ARG A 41 6.006 17.003 -15.875 1.00 0.00 C ATOM 562 C ARG A 41 6.881 15.930 -15.224 1.00 0.00 C ATOM 563 O ARG A 41 6.695 14.739 -15.470 1.00 0.00 O ATOM 564 CB ARG A 41 6.767 17.629 -17.047 1.00 0.00 C ATOM 565 CG ARG A 41 6.608 16.788 -18.315 1.00 0.00 C ATOM 566 CD ARG A 41 7.654 15.671 -18.367 1.00 0.00 C ATOM 567 NE ARG A 41 8.193 15.547 -19.739 1.00 0.00 N ATOM 568 CZ ARG A 41 9.041 14.585 -20.128 1.00 0.00 C ATOM 569 NH1 ARG A 41 9.452 13.658 -19.251 1.00 0.00 N ATOM 570 NH2 ARG A 41 9.480 14.550 -21.394 1.00 0.00 N ATOM 0 H ARG A 41 5.967 18.951 -15.106 1.00 0.00 H new ATOM 0 HA ARG A 41 5.089 16.550 -16.251 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.398 18.639 -17.227 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.824 17.716 -16.794 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.608 16.356 -18.346 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.708 17.426 -19.193 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.462 15.885 -17.668 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.206 14.727 -18.057 1.00 0.00 H new ATOM 0 HE ARG A 41 7.901 16.236 -20.432 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.119 13.685 -18.287 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.097 12.926 -19.548 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.169 15.256 -22.061 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.125 13.818 -21.690 1.00 0.00 H new ATOM 584 N PRO A 42 7.840 16.402 -14.383 1.00 0.00 N ATOM 585 CA PRO A 42 8.743 15.496 -13.694 1.00 0.00 C ATOM 586 C PRO A 42 8.032 14.786 -12.540 1.00 0.00 C ATOM 587 O PRO A 42 8.499 13.754 -12.061 1.00 0.00 O ATOM 588 CB PRO A 42 9.899 16.369 -13.233 1.00 0.00 C ATOM 589 CG PRO A 42 9.383 17.798 -13.271 1.00 0.00 C ATOM 590 CD PRO A 42 8.089 17.806 -14.068 1.00 0.00 C ATOM 0 HA PRO A 42 9.101 14.690 -14.335 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.218 16.096 -12.227 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.764 16.249 -13.885 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.211 18.169 -12.260 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.119 18.457 -13.731 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.270 18.233 -13.489 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.185 18.404 -14.974 1.00 0.00 H new ATOM 598 N VAL A 43 6.916 15.368 -12.127 1.00 0.00 N ATOM 599 CA VAL A 43 6.136 14.803 -11.039 1.00 0.00 C ATOM 600 C VAL A 43 5.632 13.417 -11.444 1.00 0.00 C ATOM 601 O VAL A 43 5.427 12.554 -10.591 1.00 0.00 O ATOM 602 CB VAL A 43 5.007 15.761 -10.653 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.093 15.133 -9.599 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.565 17.100 -10.167 1.00 0.00 C ATOM 0 H VAL A 43 6.533 16.225 -12.526 1.00 0.00 H new ATOM 0 HA VAL A 43 6.755 14.676 -10.151 1.00 0.00 H new ATOM 0 HB VAL A 43 4.410 15.952 -11.545 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.299 15.834 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.654 14.218 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.674 14.899 -8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.741 17.762 -9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.197 16.936 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.155 17.558 -10.961 1.00 0.00 H new ATOM 614 N LEU A 44 5.448 13.246 -12.744 1.00 0.00 N ATOM 615 CA LEU A 44 4.972 11.978 -13.273 1.00 0.00 C ATOM 616 C LEU A 44 5.883 10.852 -12.781 1.00 0.00 C ATOM 617 O LEU A 44 5.403 9.799 -12.362 1.00 0.00 O ATOM 618 CB LEU A 44 4.845 12.047 -14.796 1.00 0.00 C ATOM 619 CG LEU A 44 4.098 10.887 -15.459 1.00 0.00 C ATOM 620 CD1 LEU A 44 2.645 11.266 -15.750 1.00 0.00 C ATOM 621 CD2 LEU A 44 4.830 10.412 -16.716 1.00 0.00 C ATOM 0 H LEU A 44 5.620 13.964 -13.448 1.00 0.00 H new ATOM 0 HA LEU A 44 3.970 11.762 -12.903 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.338 12.976 -15.057 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.847 12.099 -15.223 1.00 0.00 H new ATOM 0 HG LEU A 44 4.078 10.049 -14.762 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.137 10.425 -16.221 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.141 11.518 -14.817 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.620 12.126 -16.420 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.279 9.587 -17.168 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.902 11.234 -17.428 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.832 10.075 -16.448 1.00 0.00 H new ATOM 633 N GLN A 45 7.180 11.111 -12.849 1.00 0.00 N ATOM 634 CA GLN A 45 8.163 10.131 -12.417 1.00 0.00 C ATOM 635 C GLN A 45 7.974 9.811 -10.932 1.00 0.00 C ATOM 636 O GLN A 45 8.203 8.680 -10.504 1.00 0.00 O ATOM 637 CB GLN A 45 9.585 10.621 -12.695 1.00 0.00 C ATOM 638 CG GLN A 45 9.698 11.201 -14.107 1.00 0.00 C ATOM 639 CD GLN A 45 11.117 11.034 -14.656 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.091 10.979 -13.923 1.00 0.00 O ATOM 641 NE2 GLN A 45 11.178 10.958 -15.982 1.00 0.00 N ATOM 0 H GLN A 45 7.574 11.985 -13.197 1.00 0.00 H new ATOM 0 HA GLN A 45 8.011 9.216 -12.989 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.862 11.380 -11.963 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.287 9.795 -12.580 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.988 10.703 -14.767 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.432 12.258 -14.092 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.323 11.011 -16.536 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.080 10.847 -16.446 1.00 0.00 H new ATOM 650 N THR A 46 7.558 10.825 -10.189 1.00 0.00 N ATOM 651 CA THR A 46 7.337 10.665 -8.762 1.00 0.00 C ATOM 652 C THR A 46 6.156 9.726 -8.507 1.00 0.00 C ATOM 653 O THR A 46 6.166 8.957 -7.547 1.00 0.00 O ATOM 654 CB THR A 46 7.148 12.057 -8.154 1.00 0.00 C ATOM 655 OG1 THR A 46 8.333 12.265 -7.390 1.00 0.00 O ATOM 656 CG2 THR A 46 6.025 12.095 -7.116 1.00 0.00 C ATOM 0 H THR A 46 7.368 11.761 -10.548 1.00 0.00 H new ATOM 0 HA THR A 46 8.195 10.197 -8.279 1.00 0.00 H new ATOM 0 HB THR A 46 6.934 12.774 -8.947 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.296 13.146 -6.962 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.933 13.105 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.085 11.804 -7.586 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.255 11.403 -6.305 1.00 0.00 H new ATOM 664 N THR A 47 5.167 9.819 -9.384 1.00 0.00 N ATOM 665 CA THR A 47 3.982 8.988 -9.266 1.00 0.00 C ATOM 666 C THR A 47 4.304 7.542 -9.650 1.00 0.00 C ATOM 667 O THR A 47 3.724 6.606 -9.102 1.00 0.00 O ATOM 668 CB THR A 47 2.879 9.612 -10.124 1.00 0.00 C ATOM 669 OG1 THR A 47 3.261 9.301 -11.461 1.00 0.00 O ATOM 670 CG2 THR A 47 2.896 11.141 -10.077 1.00 0.00 C ATOM 0 H THR A 47 5.163 10.458 -10.179 1.00 0.00 H new ATOM 0 HA THR A 47 3.629 8.947 -8.235 1.00 0.00 H new ATOM 0 HB THR A 47 1.908 9.249 -9.787 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.100 9.759 -11.676 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.094 11.533 -10.702 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.752 11.475 -9.050 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.855 11.506 -10.446 1.00 0.00 H new ATOM 678 N MET A 48 5.229 7.405 -10.588 1.00 0.00 N ATOM 679 CA MET A 48 5.636 6.089 -11.052 1.00 0.00 C ATOM 680 C MET A 48 6.336 5.308 -9.938 1.00 0.00 C ATOM 681 O MET A 48 6.079 4.119 -9.753 1.00 0.00 O ATOM 682 CB MET A 48 6.584 6.238 -12.244 1.00 0.00 C ATOM 683 CG MET A 48 6.093 5.420 -13.440 1.00 0.00 C ATOM 684 SD MET A 48 7.021 5.857 -14.901 1.00 0.00 S ATOM 685 CE MET A 48 5.683 6.303 -15.996 1.00 0.00 C ATOM 0 H MET A 48 5.709 8.184 -11.040 1.00 0.00 H new ATOM 0 HA MET A 48 4.745 5.538 -11.352 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.660 7.289 -12.524 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.584 5.911 -11.961 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.204 4.356 -13.233 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.031 5.603 -13.605 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.088 6.604 -16.962 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.022 5.447 -16.131 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.120 7.131 -15.565 1.00 0.00 H new ATOM 695 N PHE A 49 7.206 6.007 -9.224 1.00 0.00 N ATOM 696 CA PHE A 49 7.944 5.394 -8.133 1.00 0.00 C ATOM 697 C PHE A 49 7.034 5.141 -6.929 1.00 0.00 C ATOM 698 O PHE A 49 7.224 4.172 -6.196 1.00 0.00 O ATOM 699 CB PHE A 49 9.044 6.377 -7.729 1.00 0.00 C ATOM 700 CG PHE A 49 10.427 6.025 -8.280 1.00 0.00 C ATOM 701 CD1 PHE A 49 11.231 5.166 -7.598 1.00 0.00 C ATOM 702 CD2 PHE A 49 10.852 6.571 -9.450 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.515 4.839 -8.110 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.136 6.244 -9.962 1.00 0.00 C ATOM 705 CZ PHE A 49 12.940 5.385 -9.280 1.00 0.00 C ATOM 0 H PHE A 49 7.416 6.993 -9.380 1.00 0.00 H new ATOM 0 HA PHE A 49 8.353 4.435 -8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.770 7.374 -8.073 1.00 0.00 H new ATOM 0 HB3 PHE A 49 9.098 6.419 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.894 4.733 -6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.213 7.254 -9.991 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.154 4.156 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.473 6.677 -10.892 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.917 5.137 -9.668 1.00 0.00 H new ATOM 715 N ILE A 50 6.065 6.030 -6.763 1.00 0.00 N ATOM 716 CA ILE A 50 5.126 5.915 -5.661 1.00 0.00 C ATOM 717 C ILE A 50 4.172 4.749 -5.929 1.00 0.00 C ATOM 718 O ILE A 50 3.748 4.063 -5.000 1.00 0.00 O ATOM 719 CB ILE A 50 4.415 7.249 -5.422 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.617 7.727 -3.983 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.934 7.155 -5.792 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.921 8.515 -3.844 1.00 0.00 C ATOM 0 H ILE A 50 5.910 6.832 -7.373 1.00 0.00 H new ATOM 0 HA ILE A 50 5.652 5.690 -4.734 1.00 0.00 H new ATOM 0 HB ILE A 50 4.863 7.997 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.776 8.352 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.633 6.870 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.452 8.116 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.838 6.892 -6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.454 6.390 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.040 8.843 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.762 7.879 -4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.892 9.385 -4.500 1.00 0.00 H new ATOM 734 N GLY A 51 3.861 4.561 -7.203 1.00 0.00 N ATOM 735 CA GLY A 51 2.965 3.491 -7.605 1.00 0.00 C ATOM 736 C GLY A 51 3.546 2.123 -7.239 1.00 0.00 C ATOM 737 O GLY A 51 2.874 1.308 -6.607 1.00 0.00 O ATOM 0 H GLY A 51 4.214 5.132 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.997 3.621 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.792 3.541 -8.680 1.00 0.00 H new ATOM 741 N VAL A 52 4.787 1.914 -7.651 1.00 0.00 N ATOM 742 CA VAL A 52 5.466 0.659 -7.374 1.00 0.00 C ATOM 743 C VAL A 52 5.574 0.466 -5.860 1.00 0.00 C ATOM 744 O VAL A 52 5.248 -0.601 -5.342 1.00 0.00 O ATOM 745 CB VAL A 52 6.824 0.632 -8.079 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.518 -0.717 -7.880 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.676 0.959 -9.566 1.00 0.00 C ATOM 0 H VAL A 52 5.341 2.592 -8.175 1.00 0.00 H new ATOM 0 HA VAL A 52 4.893 -0.180 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 52 7.451 1.401 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.481 -0.710 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.673 -0.893 -6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.895 -1.511 -8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.656 0.933 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.023 0.224 -10.037 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.244 1.953 -9.679 1.00 0.00 H new ATOM 757 N ALA A 53 6.033 1.515 -5.193 1.00 0.00 N ATOM 758 CA ALA A 53 6.189 1.473 -3.749 1.00 0.00 C ATOM 759 C ALA A 53 4.856 1.083 -3.108 1.00 0.00 C ATOM 760 O ALA A 53 4.831 0.385 -2.096 1.00 0.00 O ATOM 761 CB ALA A 53 6.700 2.827 -3.252 1.00 0.00 C ATOM 0 H ALA A 53 6.302 2.399 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 53 6.925 0.721 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.817 2.796 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.662 3.045 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.985 3.606 -3.518 1.00 0.00 H new ATOM 767 N LEU A 54 3.780 1.550 -3.724 1.00 0.00 N ATOM 768 CA LEU A 54 2.446 1.258 -3.226 1.00 0.00 C ATOM 769 C LEU A 54 2.146 -0.229 -3.426 1.00 0.00 C ATOM 770 O LEU A 54 1.400 -0.825 -2.651 1.00 0.00 O ATOM 771 CB LEU A 54 1.417 2.186 -3.875 1.00 0.00 C ATOM 772 CG LEU A 54 0.374 1.511 -4.768 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.638 0.726 -3.931 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.307 2.531 -5.683 1.00 0.00 C ATOM 0 H LEU A 54 3.805 2.129 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 54 2.387 1.454 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.895 2.726 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.950 2.928 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 54 0.886 0.794 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.368 0.256 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.118 -0.042 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.149 1.404 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.044 2.025 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.804 3.289 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.441 3.007 -6.318 1.00 0.00 H new ATOM 786 N VAL A 55 2.743 -0.785 -4.470 1.00 0.00 N ATOM 787 CA VAL A 55 2.549 -2.191 -4.782 1.00 0.00 C ATOM 788 C VAL A 55 3.302 -3.045 -3.760 1.00 0.00 C ATOM 789 O VAL A 55 2.928 -4.188 -3.504 1.00 0.00 O ATOM 790 CB VAL A 55 2.975 -2.471 -6.224 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.162 -3.971 -6.459 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.970 -1.882 -7.217 1.00 0.00 C ATOM 0 H VAL A 55 3.361 -0.287 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 55 1.494 -2.455 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 55 3.936 -1.983 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.465 -4.142 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.932 -4.351 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.223 -4.489 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.297 -2.095 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.989 -2.328 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.907 -0.803 -7.075 1.00 0.00 H new ATOM 802 N GLU A 56 4.351 -2.456 -3.203 1.00 0.00 N ATOM 803 CA GLU A 56 5.160 -3.148 -2.215 1.00 0.00 C ATOM 804 C GLU A 56 4.421 -3.217 -0.877 1.00 0.00 C ATOM 805 O GLU A 56 4.921 -3.801 0.083 1.00 0.00 O ATOM 806 CB GLU A 56 6.524 -2.474 -2.053 1.00 0.00 C ATOM 807 CG GLU A 56 7.577 -3.148 -2.936 1.00 0.00 C ATOM 808 CD GLU A 56 8.968 -2.570 -2.668 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.149 -1.368 -2.958 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.819 -3.344 -2.179 1.00 0.00 O ATOM 0 H GLU A 56 4.659 -1.507 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 56 5.333 -4.166 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.446 -1.419 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.835 -2.521 -1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.583 -4.221 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.318 -3.011 -3.986 1.00 0.00 H new ATOM 817 N ALA A 57 3.242 -2.612 -0.857 1.00 0.00 N ATOM 818 CA ALA A 57 2.429 -2.597 0.347 1.00 0.00 C ATOM 819 C ALA A 57 1.558 -3.854 0.385 1.00 0.00 C ATOM 820 O ALA A 57 0.963 -4.171 1.414 1.00 0.00 O ATOM 821 CB ALA A 57 1.600 -1.312 0.388 1.00 0.00 C ATOM 0 H ALA A 57 2.831 -2.129 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 57 3.060 -2.606 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.990 -1.301 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.266 -0.449 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.952 -1.269 -0.488 1.00 0.00 H new ATOM 827 N LEU A 58 1.511 -4.537 -0.750 1.00 0.00 N ATOM 828 CA LEU A 58 0.722 -5.752 -0.860 1.00 0.00 C ATOM 829 C LEU A 58 1.436 -6.887 -0.122 1.00 0.00 C ATOM 830 O LEU A 58 0.851 -7.533 0.745 1.00 0.00 O ATOM 831 CB LEU A 58 0.423 -6.066 -2.327 1.00 0.00 C ATOM 832 CG LEU A 58 -1.041 -6.356 -2.666 1.00 0.00 C ATOM 833 CD1 LEU A 58 -1.975 -5.396 -1.927 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.269 -6.329 -4.178 1.00 0.00 C ATOM 0 H LEU A 58 2.007 -4.272 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.249 -5.620 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.756 -5.224 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.021 -6.928 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.279 -7.363 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.009 -5.624 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.836 -5.509 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.746 -4.370 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.317 -6.538 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.008 -5.345 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.644 -7.085 -4.654 1.00 0.00 H new ATOM 846 N PRO A 59 2.725 -7.099 -0.503 1.00 0.00 N ATOM 847 CA PRO A 59 3.525 -8.144 0.113 1.00 0.00 C ATOM 848 C PRO A 59 3.971 -7.736 1.518 1.00 0.00 C ATOM 849 O PRO A 59 4.180 -8.589 2.379 1.00 0.00 O ATOM 850 CB PRO A 59 4.688 -8.361 -0.840 1.00 0.00 C ATOM 851 CG PRO A 59 4.750 -7.119 -1.714 1.00 0.00 C ATOM 852 CD PRO A 59 3.451 -6.353 -1.527 1.00 0.00 C ATOM 0 HA PRO A 59 2.969 -9.070 0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.620 -8.500 -0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.536 -9.256 -1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.602 -6.499 -1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.884 -7.395 -2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.638 -5.327 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.884 -6.302 -2.457 1.00 0.00 H new ATOM 860 N ILE A 60 4.105 -6.431 1.707 1.00 0.00 N ATOM 861 CA ILE A 60 4.523 -5.900 2.993 1.00 0.00 C ATOM 862 C ILE A 60 3.447 -6.200 4.038 1.00 0.00 C ATOM 863 O ILE A 60 3.735 -6.787 5.080 1.00 0.00 O ATOM 864 CB ILE A 60 4.866 -4.413 2.872 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.298 -4.220 2.371 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.618 -3.685 4.195 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.572 -2.749 2.049 1.00 0.00 C ATOM 0 H ILE A 60 3.931 -5.726 0.991 1.00 0.00 H new ATOM 0 HA ILE A 60 5.438 -6.389 3.328 1.00 0.00 H new ATOM 0 HB ILE A 60 4.203 -3.968 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.002 -4.568 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.461 -4.827 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.869 -2.630 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.568 -3.780 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.240 -4.125 4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.597 -2.639 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.882 -2.411 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.432 -2.148 2.947 1.00 0.00 H new ATOM 879 N ILE A 61 2.229 -5.784 3.723 1.00 0.00 N ATOM 880 CA ILE A 61 1.108 -6.001 4.622 1.00 0.00 C ATOM 881 C ILE A 61 0.879 -7.504 4.791 1.00 0.00 C ATOM 882 O ILE A 61 0.638 -7.978 5.901 1.00 0.00 O ATOM 883 CB ILE A 61 -0.127 -5.242 4.132 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.174 -3.750 3.973 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.324 -5.490 5.052 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.790 -3.100 2.978 1.00 0.00 C ATOM 0 H ILE A 61 1.994 -5.298 2.858 1.00 0.00 H new ATOM 0 HA ILE A 61 1.329 -5.599 5.611 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.394 -5.624 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.093 -3.254 4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.200 -3.617 3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.188 -4.939 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.554 -6.555 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.084 -5.152 6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.555 -2.040 2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.689 -3.582 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.813 -3.214 3.335 1.00 0.00 H new ATOM 898 N GLY A 62 0.963 -8.212 3.675 1.00 0.00 N ATOM 899 CA GLY A 62 0.768 -9.652 3.685 1.00 0.00 C ATOM 900 C GLY A 62 1.724 -10.328 4.671 1.00 0.00 C ATOM 901 O GLY A 62 1.366 -11.316 5.310 1.00 0.00 O ATOM 0 H GLY A 62 1.164 -7.815 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.262 -9.881 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.930 -10.052 2.684 1.00 0.00 H new ATOM 905 N VAL A 63 2.921 -9.768 4.763 1.00 0.00 N ATOM 906 CA VAL A 63 3.931 -10.304 5.659 1.00 0.00 C ATOM 907 C VAL A 63 3.480 -10.103 7.107 1.00 0.00 C ATOM 908 O VAL A 63 3.651 -10.989 7.943 1.00 0.00 O ATOM 909 CB VAL A 63 5.288 -9.663 5.362 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.261 -9.874 6.524 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.873 -10.199 4.053 1.00 0.00 C ATOM 0 H VAL A 63 3.214 -8.948 4.232 1.00 0.00 H new ATOM 0 HA VAL A 63 4.051 -11.376 5.501 1.00 0.00 H new ATOM 0 HB VAL A 63 5.133 -8.590 5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.218 -9.409 6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.852 -9.422 7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.408 -10.942 6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.838 -9.727 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.006 -11.278 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.193 -9.974 3.231 1.00 0.00 H new ATOM 921 N VAL A 64 2.913 -8.932 7.360 1.00 0.00 N ATOM 922 CA VAL A 64 2.436 -8.604 8.692 1.00 0.00 C ATOM 923 C VAL A 64 1.442 -9.673 9.152 1.00 0.00 C ATOM 924 O VAL A 64 1.626 -10.285 10.203 1.00 0.00 O ATOM 925 CB VAL A 64 1.843 -7.193 8.703 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.829 -7.033 9.837 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.945 -6.136 8.799 1.00 0.00 C ATOM 0 H VAL A 64 2.774 -8.199 6.665 1.00 0.00 H new ATOM 0 HA VAL A 64 3.262 -8.601 9.403 1.00 0.00 H new ATOM 0 HB VAL A 64 1.317 -7.043 7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.423 -6.022 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.019 -7.751 9.705 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.321 -7.212 10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.497 -5.142 8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.512 -6.284 9.718 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.613 -6.228 7.942 1.00 0.00 H new ATOM 937 N PHE A 65 0.412 -9.865 8.341 1.00 0.00 N ATOM 938 CA PHE A 65 -0.610 -10.850 8.652 1.00 0.00 C ATOM 939 C PHE A 65 0.018 -12.195 9.023 1.00 0.00 C ATOM 940 O PHE A 65 -0.395 -12.831 9.991 1.00 0.00 O ATOM 941 CB PHE A 65 -1.457 -11.028 7.390 1.00 0.00 C ATOM 942 CG PHE A 65 -1.565 -12.478 6.912 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.070 -13.431 7.740 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.156 -12.813 5.659 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.170 -14.776 7.297 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.256 -14.158 5.215 1.00 0.00 C ATOM 947 CZ PHE A 65 -1.761 -15.111 6.044 1.00 0.00 C ATOM 0 H PHE A 65 0.263 -9.356 7.470 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.206 -10.512 9.500 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.459 -10.643 7.580 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.030 -10.423 6.590 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.395 -13.165 8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.755 -12.056 5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.571 -15.533 7.955 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.931 -14.424 4.220 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.837 -16.134 5.707 1.00 0.00 H new ATOM 957 N SER A 66 1.008 -12.587 8.234 1.00 0.00 N ATOM 958 CA SER A 66 1.698 -13.844 8.468 1.00 0.00 C ATOM 959 C SER A 66 2.334 -13.841 9.860 1.00 0.00 C ATOM 960 O SER A 66 2.177 -14.796 10.620 1.00 0.00 O ATOM 961 CB SER A 66 2.763 -14.096 7.399 1.00 0.00 C ATOM 962 OG SER A 66 2.277 -13.821 6.088 1.00 0.00 O ATOM 0 H SER A 66 1.348 -12.056 7.432 1.00 0.00 H new ATOM 0 HA SER A 66 0.967 -14.650 8.411 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.634 -13.473 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.093 -15.133 7.453 1.00 0.00 H new ATOM 0 HG SER A 66 2.158 -12.854 5.979 1.00 0.00 H new ATOM 968 N PHE A 67 3.038 -12.757 10.151 1.00 0.00 N ATOM 969 CA PHE A 67 3.698 -12.618 11.438 1.00 0.00 C ATOM 970 C PHE A 67 2.707 -12.811 12.587 1.00 0.00 C ATOM 971 O PHE A 67 3.066 -13.333 13.641 1.00 0.00 O ATOM 972 CB PHE A 67 4.262 -11.196 11.500 1.00 0.00 C ATOM 973 CG PHE A 67 5.777 -11.119 11.304 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.317 -11.355 10.078 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.584 -10.813 12.355 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.723 -11.283 9.896 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.990 -10.741 12.173 1.00 0.00 C ATOM 978 CZ PHE A 67 8.530 -10.977 10.947 1.00 0.00 C ATOM 0 H PHE A 67 3.166 -11.967 9.518 1.00 0.00 H new ATOM 0 HA PHE A 67 4.480 -13.371 11.538 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.776 -10.590 10.736 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.008 -10.757 12.465 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.676 -11.597 9.243 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.155 -10.625 13.328 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.152 -11.471 8.923 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.631 -10.499 13.008 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.600 -10.921 10.808 1.00 0.00 H new ATOM 988 N ILE A 68 1.478 -12.379 12.345 1.00 0.00 N ATOM 989 CA ILE A 68 0.432 -12.497 13.346 1.00 0.00 C ATOM 990 C ILE A 68 0.124 -13.977 13.583 1.00 0.00 C ATOM 991 O ILE A 68 0.207 -14.460 14.711 1.00 0.00 O ATOM 992 CB ILE A 68 -0.792 -11.671 12.943 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.683 -10.238 13.468 1.00 0.00 C ATOM 994 CG2 ILE A 68 -2.085 -12.351 13.397 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.594 -9.564 12.961 1.00 0.00 C ATOM 0 H ILE A 68 1.183 -11.946 11.470 1.00 0.00 H new ATOM 0 HA ILE A 68 0.767 -12.084 14.297 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.823 -11.614 11.855 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.553 -9.663 13.150 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.687 -10.245 14.558 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.940 -11.744 13.098 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.160 -13.335 12.935 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.078 -12.459 14.482 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.647 -8.547 13.349 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.463 -10.128 13.301 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.583 -9.537 11.871 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.226 -14.656 12.500 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.547 -16.072 12.576 1.00 0.00 C ATOM 1009 C TYR A 69 0.532 -16.838 13.343 1.00 0.00 C ATOM 1010 O TYR A 69 0.223 -17.630 14.232 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.582 -16.574 11.131 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.125 -17.996 10.980 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.138 -18.440 11.805 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.600 -18.836 10.018 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.648 -19.779 11.663 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.111 -20.175 9.876 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.109 -20.580 10.705 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.591 -21.845 10.571 1.00 0.00 O ATOM 0 H TYR A 69 -0.294 -14.252 11.566 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.493 -16.224 13.095 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.195 -15.897 10.537 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.426 -16.535 10.719 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.548 -17.783 12.557 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.193 -18.489 9.372 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.440 -20.139 12.303 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.710 -20.842 9.127 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.114 -22.302 9.847 1.00 0.00 H new ATOM 1028 N LEU A 70 1.777 -16.576 12.971 1.00 0.00 N ATOM 1029 CA LEU A 70 2.903 -17.231 13.614 1.00 0.00 C ATOM 1030 C LEU A 70 2.826 -17.005 15.125 1.00 0.00 C ATOM 1031 O LEU A 70 3.439 -17.739 15.898 1.00 0.00 O ATOM 1032 CB LEU A 70 4.221 -16.767 12.989 1.00 0.00 C ATOM 1033 CG LEU A 70 5.385 -17.757 13.064 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.461 -18.612 11.798 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.703 -17.034 13.347 1.00 0.00 C ATOM 0 H LEU A 70 2.030 -15.919 12.233 1.00 0.00 H new ATOM 0 HA LEU A 70 2.860 -18.308 13.451 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.039 -16.530 11.941 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.526 -15.841 13.477 1.00 0.00 H new ATOM 0 HG LEU A 70 5.203 -18.434 13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.297 -19.307 11.878 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.533 -19.172 11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.607 -17.967 10.932 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.514 -17.761 13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.904 -16.319 12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.632 -16.506 14.298 1.00 0.00 H new ATOM 1047 N GLY A 71 2.068 -15.985 15.500 1.00 0.00 N ATOM 1048 CA GLY A 71 1.902 -15.653 16.905 1.00 0.00 C ATOM 1049 C GLY A 71 2.628 -14.351 17.249 1.00 0.00 C ATOM 1050 O GLY A 71 3.050 -14.154 18.388 1.00 0.00 O ATOM 0 H GLY A 71 1.562 -15.378 14.855 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.841 -15.554 17.136 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.289 -16.464 17.522 1.00 0.00 H new ATOM 1054 N ARG A 72 2.752 -13.496 16.245 1.00 0.00 N ATOM 1055 CA ARG A 72 3.420 -12.219 16.427 1.00 0.00 C ATOM 1056 C ARG A 72 4.889 -12.436 16.795 1.00 0.00 C ATOM 1057 O ARG A 72 5.713 -11.537 16.630 1.00 0.00 O ATOM 1058 CB ARG A 72 2.743 -11.395 17.525 1.00 0.00 C ATOM 1059 CG ARG A 72 1.525 -10.648 16.977 1.00 0.00 C ATOM 1060 CD ARG A 72 1.952 -9.434 16.150 1.00 0.00 C ATOM 1061 NE ARG A 72 1.708 -8.190 16.914 1.00 0.00 N ATOM 1062 CZ ARG A 72 1.869 -6.958 16.413 1.00 0.00 C ATOM 1063 NH1 ARG A 72 2.276 -6.797 15.147 1.00 0.00 N ATOM 1064 NH2 ARG A 72 1.623 -5.886 17.180 1.00 0.00 N ATOM 0 H ARG A 72 2.401 -13.663 15.302 1.00 0.00 H new ATOM 0 HA ARG A 72 3.354 -11.673 15.486 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.436 -12.051 18.340 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.455 -10.682 17.941 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.929 -11.321 16.361 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.890 -10.325 17.802 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.009 -9.512 15.894 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.397 -9.409 15.212 1.00 0.00 H new ATOM 0 HE ARG A 72 1.398 -8.276 17.882 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.463 -7.613 14.564 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.398 -5.859 14.766 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.314 -6.009 18.144 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.745 -4.948 16.799 1.00 0.00 H new TER 1078 ARG A 72