USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 SER OG : rot 120:sc= 0.0407 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -117:sc=-0.00732 (180deg=-0.527) USER MOD Set 2.1: A 64 ASN : amide:sc= -0.103 K(o=0.61,f=-1.2!) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.708 USER MOD Set 3.1: A 6 TYR OH : rot -94:sc= 2.25 USER MOD Set 3.2: A 38 TYR OH : rot -120:sc= 1.64 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0123 (180deg=-0.187) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0329 (180deg=-0.177) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 7 TYR OH : rot 37:sc=3.21e-05 USER MOD Single : A 9 THR OG1 : rot 170:sc= 0 USER MOD Single : A 14 THR OG1 : rot 112:sc= 1.29 USER MOD Single : A 15 LYS NZ :NH3+ -109:sc= -0.512 (180deg=-2.55!) USER MOD Single : A 16 LYS NZ :NH3+ 137:sc= -0.367 (180deg=-0.984) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00547 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -91:sc= -0.62 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.03 K(o=-2,f=-4!) USER MOD Single : A 46 MET CE :methyl 173:sc= -1.58 (180deg=-1.79) USER MOD Single : A 47 TYR OH : rot -77:sc= 0.493 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.544 K(o=-0.54,f=-2.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.3!) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.497 F(o=-2,f=-0.5) USER MOD Single : A 63 ASN : amide:sc= -0.976 X(o=-0.98,f=-1.4) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0827) USER MOD Single : A 73 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0455) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.728 12.722 6.755 1.00 14.23 N ATOM 2 CA MET A 1 -1.111 11.552 7.369 1.00 3.21 C ATOM 3 C MET A 1 -1.873 10.282 7.003 1.00 44.55 C ATOM 4 O MET A 1 -3.098 10.296 6.875 1.00 60.43 O ATOM 5 CB MET A 1 -1.064 11.713 8.890 1.00 42.32 C ATOM 6 CG MET A 1 -0.138 10.722 9.577 1.00 42.13 C ATOM 7 SD MET A 1 1.510 11.394 9.860 1.00 74.44 S ATOM 8 CE MET A 1 1.185 12.535 11.202 1.00 51.33 C ATOM 0 H1 MET A 1 -1.658 13.532 7.404 1.00 14.23 H new ATOM 0 H2 MET A 1 -1.237 12.947 5.866 1.00 14.23 H new ATOM 0 H3 MET A 1 -2.729 12.523 6.557 1.00 14.23 H new ATOM 0 HA MET A 1 -0.093 11.466 6.989 1.00 3.21 H new ATOM 0 HB2 MET A 1 -0.741 12.726 9.130 1.00 42.32 H new ATOM 0 HB3 MET A 1 -2.071 11.595 9.291 1.00 42.32 H new ATOM 0 HG2 MET A 1 -0.574 10.425 10.531 1.00 42.13 H new ATOM 0 HG3 MET A 1 -0.059 9.822 8.968 1.00 42.13 H new ATOM 0 HE1 MET A 1 2.125 12.815 11.677 1.00 51.33 H new ATOM 0 HE2 MET A 1 0.697 13.427 10.811 1.00 51.33 H new ATOM 0 HE3 MET A 1 0.535 12.058 11.936 1.00 51.33 H new ATOM 16 N VAL A 2 -1.141 9.184 6.838 1.00 12.13 N ATOM 17 CA VAL A 2 -1.748 7.906 6.489 1.00 30.44 C ATOM 18 C VAL A 2 -1.062 6.755 7.215 1.00 52.44 C ATOM 19 O VAL A 2 0.166 6.679 7.265 1.00 33.45 O ATOM 20 CB VAL A 2 -1.684 7.650 4.970 1.00 55.14 C ATOM 21 CG1 VAL A 2 -2.703 8.511 4.240 1.00 10.20 C ATOM 22 CG2 VAL A 2 -0.279 7.912 4.446 1.00 11.14 C ATOM 0 H VAL A 2 -0.127 9.155 6.941 1.00 12.13 H new ATOM 0 HA VAL A 2 -2.792 7.957 6.799 1.00 30.44 H new ATOM 0 HB VAL A 2 -1.928 6.604 4.784 1.00 55.14 H new ATOM 0 HG11 VAL A 2 -2.643 8.317 3.169 1.00 10.20 H new ATOM 0 HG12 VAL A 2 -3.705 8.271 4.597 1.00 10.20 H new ATOM 0 HG13 VAL A 2 -2.493 9.564 4.430 1.00 10.20 H new ATOM 0 HG21 VAL A 2 -0.251 7.727 3.372 1.00 11.14 H new ATOM 0 HG22 VAL A 2 -0.005 8.948 4.643 1.00 11.14 H new ATOM 0 HG23 VAL A 2 0.426 7.249 4.947 1.00 11.14 H new ATOM 32 N THR A 3 -1.864 5.858 7.782 1.00 63.20 N ATOM 33 CA THR A 3 -1.336 4.711 8.508 1.00 63.55 C ATOM 34 C THR A 3 -1.529 3.423 7.715 1.00 43.40 C ATOM 35 O THR A 3 -2.604 3.171 7.172 1.00 31.13 O ATOM 36 CB THR A 3 -2.008 4.558 9.885 1.00 35.12 C ATOM 37 OG1 THR A 3 -2.311 5.849 10.427 1.00 4.23 O ATOM 38 CG2 THR A 3 -1.107 3.798 10.846 1.00 3.22 C ATOM 0 H THR A 3 -2.882 5.905 7.752 1.00 63.20 H new ATOM 0 HA THR A 3 -0.271 4.891 8.651 1.00 63.55 H new ATOM 0 HB THR A 3 -2.931 3.993 9.754 1.00 35.12 H new ATOM 0 HG1 THR A 3 -2.740 5.744 11.302 1.00 4.23 H new ATOM 0 HG21 THR A 3 -1.603 3.703 11.812 1.00 3.22 H new ATOM 0 HG22 THR A 3 -0.901 2.806 10.444 1.00 3.22 H new ATOM 0 HG23 THR A 3 -0.170 4.340 10.972 1.00 3.22 H new ATOM 46 N VAL A 4 -0.480 2.608 7.655 1.00 44.00 N ATOM 47 CA VAL A 4 -0.535 1.344 6.930 1.00 44.33 C ATOM 48 C VAL A 4 -0.236 0.167 7.853 1.00 51.22 C ATOM 49 O VAL A 4 0.553 0.286 8.790 1.00 41.44 O ATOM 50 CB VAL A 4 0.460 1.325 5.755 1.00 54.44 C ATOM 51 CG1 VAL A 4 0.351 0.021 4.981 1.00 14.43 C ATOM 52 CG2 VAL A 4 0.227 2.519 4.841 1.00 73.01 C ATOM 0 H VAL A 4 0.418 2.801 8.100 1.00 44.00 H new ATOM 0 HA VAL A 4 -1.548 1.249 6.539 1.00 44.33 H new ATOM 0 HB VAL A 4 1.471 1.395 6.157 1.00 54.44 H new ATOM 0 HG11 VAL A 4 1.062 0.028 4.155 1.00 14.43 H new ATOM 0 HG12 VAL A 4 0.573 -0.815 5.644 1.00 14.43 H new ATOM 0 HG13 VAL A 4 -0.660 -0.086 4.588 1.00 14.43 H new ATOM 0 HG21 VAL A 4 0.939 2.490 4.016 1.00 73.01 H new ATOM 0 HG22 VAL A 4 -0.788 2.482 4.446 1.00 73.01 H new ATOM 0 HG23 VAL A 4 0.363 3.441 5.406 1.00 73.01 H new ATOM 62 N ARG A 5 -0.872 -0.968 7.582 1.00 34.13 N ATOM 63 CA ARG A 5 -0.674 -2.165 8.388 1.00 24.01 C ATOM 64 C ARG A 5 0.050 -3.246 7.590 1.00 72.01 C ATOM 65 O ARG A 5 -0.123 -3.356 6.376 1.00 70.14 O ATOM 66 CB ARG A 5 -2.020 -2.700 8.884 1.00 71.53 C ATOM 67 CG ARG A 5 -2.193 -2.610 10.391 1.00 73.12 C ATOM 68 CD ARG A 5 -3.181 -3.647 10.902 1.00 73.51 C ATOM 69 NE ARG A 5 -3.817 -3.230 12.148 1.00 61.24 N ATOM 70 CZ ARG A 5 -4.522 -4.046 12.923 1.00 64.43 C ATOM 71 NH1 ARG A 5 -4.680 -5.318 12.580 1.00 4.34 N ATOM 72 NH2 ARG A 5 -5.071 -3.592 14.042 1.00 44.11 N ATOM 0 H ARG A 5 -1.529 -1.083 6.810 1.00 34.13 H new ATOM 0 HA ARG A 5 -0.057 -1.896 9.246 1.00 24.01 H new ATOM 0 HB2 ARG A 5 -2.823 -2.143 8.401 1.00 71.53 H new ATOM 0 HB3 ARG A 5 -2.123 -3.741 8.576 1.00 71.53 H new ATOM 0 HG2 ARG A 5 -1.229 -2.754 10.878 1.00 73.12 H new ATOM 0 HG3 ARG A 5 -2.540 -1.612 10.659 1.00 73.12 H new ATOM 0 HD2 ARG A 5 -3.946 -3.822 10.146 1.00 73.51 H new ATOM 0 HD3 ARG A 5 -2.664 -4.594 11.058 1.00 73.51 H new ATOM 0 HE ARG A 5 -3.714 -2.258 12.440 1.00 61.24 H new ATOM 0 HH11 ARG A 5 -4.260 -5.670 11.720 1.00 4.34 H new ATOM 0 HH12 ARG A 5 -5.222 -5.944 13.176 1.00 4.34 H new ATOM 0 HH21 ARG A 5 -4.952 -2.615 14.308 1.00 44.11 H new ATOM 0 HH22 ARG A 5 -5.612 -4.220 14.636 1.00 44.11 H new ATOM 83 N TYR A 6 0.863 -4.038 8.279 1.00 45.43 N ATOM 84 CA TYR A 6 1.616 -5.108 7.635 1.00 33.32 C ATOM 85 C TYR A 6 1.512 -6.404 8.431 1.00 21.12 C ATOM 86 O TYR A 6 1.384 -6.387 9.656 1.00 34.32 O ATOM 87 CB TYR A 6 3.085 -4.705 7.484 1.00 44.32 C ATOM 88 CG TYR A 6 3.300 -3.544 6.541 1.00 75.42 C ATOM 89 CD1 TYR A 6 2.589 -3.447 5.351 1.00 61.14 C ATOM 90 CD2 TYR A 6 4.215 -2.540 6.840 1.00 43.50 C ATOM 91 CE1 TYR A 6 2.785 -2.388 4.486 1.00 10.14 C ATOM 92 CE2 TYR A 6 4.414 -1.477 5.982 1.00 54.24 C ATOM 93 CZ TYR A 6 3.698 -1.406 4.806 1.00 13.13 C ATOM 94 OH TYR A 6 3.893 -0.348 3.948 1.00 10.01 O ATOM 0 H TYR A 6 1.018 -3.960 9.284 1.00 45.43 H new ATOM 0 HA TYR A 6 1.188 -5.276 6.647 1.00 33.32 H new ATOM 0 HB2 TYR A 6 3.484 -4.445 8.464 1.00 44.32 H new ATOM 0 HB3 TYR A 6 3.654 -5.563 7.126 1.00 44.32 H new ATOM 0 HD1 TYR A 6 1.871 -4.213 5.098 1.00 61.14 H new ATOM 0 HD2 TYR A 6 4.779 -2.593 7.759 1.00 43.50 H new ATOM 0 HE1 TYR A 6 2.226 -2.330 3.564 1.00 10.14 H new ATOM 0 HE2 TYR A 6 5.127 -0.705 6.231 1.00 54.24 H new ATOM 0 HH TYR A 6 4.640 -0.548 3.346 1.00 10.01 H new ATOM 103 N TYR A 7 1.569 -7.529 7.726 1.00 4.31 N ATOM 104 CA TYR A 7 1.478 -8.837 8.365 1.00 53.15 C ATOM 105 C TYR A 7 2.807 -9.580 8.274 1.00 62.33 C ATOM 106 O TYR A 7 3.801 -9.041 7.787 1.00 65.22 O ATOM 107 CB TYR A 7 0.370 -9.669 7.719 1.00 35.12 C ATOM 108 CG TYR A 7 -0.930 -9.652 8.492 1.00 62.51 C ATOM 109 CD1 TYR A 7 -1.533 -8.452 8.847 1.00 31.24 C ATOM 110 CD2 TYR A 7 -1.553 -10.836 8.865 1.00 1.14 C ATOM 111 CE1 TYR A 7 -2.720 -8.432 9.553 1.00 33.23 C ATOM 112 CE2 TYR A 7 -2.741 -10.825 9.571 1.00 5.01 C ATOM 113 CZ TYR A 7 -3.321 -9.620 9.913 1.00 64.33 C ATOM 114 OH TYR A 7 -4.504 -9.605 10.615 1.00 62.23 O ATOM 0 H TYR A 7 1.678 -7.561 6.712 1.00 4.31 H new ATOM 0 HA TYR A 7 1.239 -8.683 9.417 1.00 53.15 H new ATOM 0 HB2 TYR A 7 0.188 -9.296 6.711 1.00 35.12 H new ATOM 0 HB3 TYR A 7 0.711 -10.700 7.621 1.00 35.12 H new ATOM 0 HD1 TYR A 7 -1.066 -7.519 8.566 1.00 31.24 H new ATOM 0 HD2 TYR A 7 -1.102 -11.780 8.599 1.00 1.14 H new ATOM 0 HE1 TYR A 7 -3.175 -7.490 9.822 1.00 33.23 H new ATOM 0 HE2 TYR A 7 -3.213 -11.754 9.854 1.00 5.01 H new ATOM 0 HH TYR A 7 -5.063 -8.864 10.299 1.00 62.23 H new ATOM 123 N ALA A 8 2.817 -10.823 8.746 1.00 14.53 N ATOM 124 CA ALA A 8 4.021 -11.643 8.716 1.00 52.31 C ATOM 125 C ALA A 8 4.560 -11.775 7.295 1.00 4.50 C ATOM 126 O ALA A 8 5.735 -12.079 7.091 1.00 42.30 O ATOM 127 CB ALA A 8 3.740 -13.016 9.308 1.00 61.21 C ATOM 0 H ALA A 8 2.004 -11.284 9.154 1.00 14.53 H new ATOM 0 HA ALA A 8 4.782 -11.150 9.320 1.00 52.31 H new ATOM 0 HB1 ALA A 8 4.648 -13.618 9.279 1.00 61.21 H new ATOM 0 HB2 ALA A 8 3.410 -12.906 10.341 1.00 61.21 H new ATOM 0 HB3 ALA A 8 2.960 -13.509 8.729 1.00 61.21 H new ATOM 133 N THR A 9 3.691 -11.548 6.315 1.00 11.42 N ATOM 134 CA THR A 9 4.078 -11.645 4.914 1.00 32.41 C ATOM 135 C THR A 9 4.889 -10.428 4.482 1.00 50.12 C ATOM 136 O THR A 9 5.684 -10.500 3.544 1.00 2.13 O ATOM 137 CB THR A 9 2.846 -11.777 3.998 1.00 11.21 C ATOM 138 OG1 THR A 9 3.250 -11.744 2.625 1.00 23.40 O ATOM 139 CG2 THR A 9 1.851 -10.659 4.266 1.00 33.15 C ATOM 0 H THR A 9 2.714 -11.296 6.466 1.00 11.42 H new ATOM 0 HA THR A 9 4.691 -12.541 4.817 1.00 32.41 H new ATOM 0 HB THR A 9 2.363 -12.731 4.211 1.00 11.21 H new ATOM 0 HG1 THR A 9 2.491 -11.988 2.055 1.00 23.40 H new ATOM 0 HG21 THR A 9 0.990 -10.773 3.608 1.00 33.15 H new ATOM 0 HG22 THR A 9 1.523 -10.705 5.304 1.00 33.15 H new ATOM 0 HG23 THR A 9 2.326 -9.696 4.078 1.00 33.15 H new ATOM 147 N LEU A 10 4.685 -9.311 5.172 1.00 21.00 N ATOM 148 CA LEU A 10 5.398 -8.078 4.860 1.00 51.53 C ATOM 149 C LEU A 10 6.620 -7.914 5.758 1.00 71.10 C ATOM 150 O LEU A 10 7.303 -6.891 5.713 1.00 22.22 O ATOM 151 CB LEU A 10 4.468 -6.874 5.021 1.00 71.41 C ATOM 152 CG LEU A 10 3.601 -6.530 3.810 1.00 21.33 C ATOM 153 CD1 LEU A 10 4.459 -5.998 2.672 1.00 52.20 C ATOM 154 CD2 LEU A 10 2.808 -7.748 3.359 1.00 74.42 C ATOM 0 H LEU A 10 4.031 -9.234 5.951 1.00 21.00 H new ATOM 0 HA LEU A 10 5.735 -8.134 3.825 1.00 51.53 H new ATOM 0 HB2 LEU A 10 3.812 -7.058 5.872 1.00 71.41 H new ATOM 0 HB3 LEU A 10 5.074 -6.002 5.268 1.00 71.41 H new ATOM 0 HG LEU A 10 2.897 -5.750 4.101 1.00 21.33 H new ATOM 0 HD11 LEU A 10 3.824 -5.759 1.819 1.00 52.20 H new ATOM 0 HD12 LEU A 10 4.981 -5.099 2.999 1.00 52.20 H new ATOM 0 HD13 LEU A 10 5.188 -6.755 2.381 1.00 52.20 H new ATOM 0 HD21 LEU A 10 2.196 -7.485 2.496 1.00 74.42 H new ATOM 0 HD22 LEU A 10 3.495 -8.549 3.086 1.00 74.42 H new ATOM 0 HD23 LEU A 10 2.164 -8.084 4.171 1.00 74.42 H new ATOM 165 N ARG A 11 6.891 -8.930 6.572 1.00 30.32 N ATOM 166 CA ARG A 11 8.032 -8.899 7.478 1.00 10.20 C ATOM 167 C ARG A 11 9.340 -8.775 6.703 1.00 14.21 C ATOM 168 O ARG A 11 10.115 -7.837 6.891 1.00 72.41 O ATOM 169 CB ARG A 11 8.058 -10.161 8.343 1.00 0.32 C ATOM 170 CG ARG A 11 9.459 -10.609 8.726 1.00 51.11 C ATOM 171 CD ARG A 11 9.434 -11.564 9.909 1.00 14.41 C ATOM 172 NE ARG A 11 10.094 -12.830 9.604 1.00 64.34 N ATOM 173 CZ ARG A 11 9.539 -13.791 8.874 1.00 31.14 C ATOM 174 NH1 ARG A 11 8.321 -13.629 8.376 1.00 22.42 N ATOM 175 NH2 ARG A 11 10.203 -14.916 8.639 1.00 72.34 N ATOM 0 H ARG A 11 6.336 -9.784 6.622 1.00 30.32 H new ATOM 0 HA ARG A 11 7.928 -8.026 8.122 1.00 10.20 H new ATOM 0 HB2 ARG A 11 7.483 -9.981 9.251 1.00 0.32 H new ATOM 0 HB3 ARG A 11 7.561 -10.969 7.806 1.00 0.32 H new ATOM 0 HG2 ARG A 11 9.932 -11.096 7.874 1.00 51.11 H new ATOM 0 HG3 ARG A 11 10.066 -9.738 8.973 1.00 51.11 H new ATOM 0 HD2 ARG A 11 9.924 -11.096 10.763 1.00 14.41 H new ATOM 0 HD3 ARG A 11 8.401 -11.755 10.199 1.00 14.41 H new ATOM 0 HE ARG A 11 11.033 -12.985 9.972 1.00 64.34 H new ATOM 0 HH11 ARG A 11 7.808 -12.765 8.553 1.00 22.42 H new ATOM 0 HH12 ARG A 11 7.897 -14.368 7.816 1.00 22.42 H new ATOM 0 HH21 ARG A 11 11.141 -15.044 9.019 1.00 72.34 H new ATOM 0 HH22 ARG A 11 9.775 -15.653 8.078 1.00 72.34 H new ATOM 186 N PRO A 12 9.594 -9.743 5.810 1.00 15.04 N ATOM 187 CA PRO A 12 10.808 -9.764 4.988 1.00 3.25 C ATOM 188 C PRO A 12 10.816 -8.658 3.938 1.00 65.20 C ATOM 189 O PRO A 12 11.820 -8.442 3.258 1.00 45.52 O ATOM 190 CB PRO A 12 10.757 -11.138 4.316 1.00 62.12 C ATOM 191 CG PRO A 12 9.310 -11.495 4.292 1.00 44.45 C ATOM 192 CD PRO A 12 8.714 -10.892 5.533 1.00 13.33 C ATOM 0 HA PRO A 12 11.706 -9.598 5.583 1.00 3.25 H new ATOM 0 HB2 PRO A 12 11.173 -11.102 3.309 1.00 62.12 H new ATOM 0 HB3 PRO A 12 11.337 -11.873 4.874 1.00 62.12 H new ATOM 0 HG2 PRO A 12 8.826 -11.104 3.397 1.00 44.45 H new ATOM 0 HG3 PRO A 12 9.175 -12.577 4.280 1.00 44.45 H new ATOM 0 HD2 PRO A 12 7.682 -10.579 5.372 1.00 13.33 H new ATOM 0 HD3 PRO A 12 8.706 -11.601 6.361 1.00 13.33 H new ATOM 197 N ILE A 13 9.693 -7.960 3.812 1.00 11.12 N ATOM 198 CA ILE A 13 9.572 -6.875 2.846 1.00 21.11 C ATOM 199 C ILE A 13 9.851 -5.525 3.497 1.00 23.11 C ATOM 200 O ILE A 13 10.796 -4.828 3.128 1.00 50.32 O ATOM 201 CB ILE A 13 8.172 -6.844 2.205 1.00 24.03 C ATOM 202 CG1 ILE A 13 7.647 -8.268 2.006 1.00 12.44 C ATOM 203 CG2 ILE A 13 8.213 -6.099 0.879 1.00 3.31 C ATOM 204 CD1 ILE A 13 6.307 -8.326 1.306 1.00 35.33 C ATOM 0 H ILE A 13 8.853 -8.126 4.367 1.00 11.12 H new ATOM 0 HA ILE A 13 10.314 -7.061 2.069 1.00 21.11 H new ATOM 0 HB ILE A 13 7.493 -6.316 2.875 1.00 24.03 H new ATOM 0 HG12 ILE A 13 8.375 -8.837 1.428 1.00 12.44 H new ATOM 0 HG13 ILE A 13 7.561 -8.754 2.978 1.00 12.44 H new ATOM 0 HG21 ILE A 13 7.216 -6.086 0.438 1.00 3.31 H new ATOM 0 HG22 ILE A 13 8.549 -5.076 1.047 1.00 3.31 H new ATOM 0 HG23 ILE A 13 8.903 -6.601 0.201 1.00 3.31 H new ATOM 0 HD11 ILE A 13 5.997 -9.366 1.199 1.00 35.33 H new ATOM 0 HD12 ILE A 13 5.566 -7.785 1.894 1.00 35.33 H new ATOM 0 HD13 ILE A 13 6.392 -7.869 0.320 1.00 35.33 H new ATOM 215 N THR A 14 9.022 -5.162 4.471 1.00 2.15 N ATOM 216 CA THR A 14 9.178 -3.896 5.176 1.00 44.10 C ATOM 217 C THR A 14 10.058 -4.058 6.410 1.00 64.31 C ATOM 218 O THR A 14 10.115 -3.176 7.266 1.00 32.31 O ATOM 219 CB THR A 14 7.816 -3.318 5.603 1.00 4.54 C ATOM 220 OG1 THR A 14 7.979 -1.976 6.074 1.00 2.45 O ATOM 221 CG2 THR A 14 7.184 -4.171 6.692 1.00 54.42 C ATOM 0 H THR A 14 8.235 -5.728 4.790 1.00 2.15 H new ATOM 0 HA THR A 14 9.655 -3.205 4.481 1.00 44.10 H new ATOM 0 HB THR A 14 7.157 -3.319 4.735 1.00 4.54 H new ATOM 0 HG1 THR A 14 7.552 -1.355 5.447 1.00 2.45 H new ATOM 0 HG21 THR A 14 6.223 -3.743 6.977 1.00 54.42 H new ATOM 0 HG22 THR A 14 7.034 -5.184 6.319 1.00 54.42 H new ATOM 0 HG23 THR A 14 7.842 -4.198 7.561 1.00 54.42 H new ATOM 229 N LYS A 15 10.744 -5.194 6.496 1.00 32.23 N ATOM 230 CA LYS A 15 11.624 -5.472 7.625 1.00 4.40 C ATOM 231 C LYS A 15 10.874 -5.332 8.946 1.00 4.12 C ATOM 232 O LYS A 15 11.464 -5.001 9.975 1.00 32.44 O ATOM 233 CB LYS A 15 12.827 -4.526 7.606 1.00 43.31 C ATOM 234 CG LYS A 15 13.471 -4.390 6.238 1.00 51.44 C ATOM 235 CD LYS A 15 14.786 -3.632 6.315 1.00 70.01 C ATOM 236 CE LYS A 15 14.560 -2.137 6.479 1.00 13.13 C ATOM 237 NZ LYS A 15 14.281 -1.771 7.895 1.00 34.45 N ATOM 0 H LYS A 15 10.707 -5.936 5.797 1.00 32.23 H new ATOM 0 HA LYS A 15 11.977 -6.499 7.535 1.00 4.40 H new ATOM 0 HB2 LYS A 15 12.510 -3.541 7.949 1.00 43.31 H new ATOM 0 HB3 LYS A 15 13.573 -4.885 8.315 1.00 43.31 H new ATOM 0 HG2 LYS A 15 13.645 -5.380 5.816 1.00 51.44 H new ATOM 0 HG3 LYS A 15 12.790 -3.871 5.564 1.00 51.44 H new ATOM 0 HD2 LYS A 15 15.374 -4.006 7.153 1.00 70.01 H new ATOM 0 HD3 LYS A 15 15.367 -3.816 5.411 1.00 70.01 H new ATOM 0 HE2 LYS A 15 15.440 -1.596 6.131 1.00 13.13 H new ATOM 0 HE3 LYS A 15 13.725 -1.825 5.852 1.00 13.13 H new ATOM 0 HZ1 LYS A 15 13.282 -1.500 7.993 1.00 34.45 H new ATOM 0 HZ2 LYS A 15 14.481 -2.586 8.510 1.00 34.45 H new ATOM 0 HZ3 LYS A 15 14.885 -0.971 8.172 1.00 34.45 H new ATOM 247 N LYS A 16 9.571 -5.587 8.912 1.00 25.33 N ATOM 248 CA LYS A 16 8.740 -5.493 10.106 1.00 41.22 C ATOM 249 C LYS A 16 8.879 -4.121 10.758 1.00 13.52 C ATOM 250 O LYS A 16 9.725 -3.918 11.629 1.00 60.45 O ATOM 251 CB LYS A 16 9.123 -6.586 11.107 1.00 41.03 C ATOM 252 CG LYS A 16 8.393 -7.899 10.882 1.00 50.22 C ATOM 253 CD LYS A 16 8.360 -8.741 12.146 1.00 43.44 C ATOM 254 CE LYS A 16 9.759 -9.152 12.579 1.00 53.52 C ATOM 255 NZ LYS A 16 9.771 -10.502 13.207 1.00 52.24 N ATOM 0 H LYS A 16 9.067 -5.861 8.069 1.00 25.33 H new ATOM 0 HA LYS A 16 7.701 -5.631 9.807 1.00 41.22 H new ATOM 0 HB2 LYS A 16 10.197 -6.762 11.047 1.00 41.03 H new ATOM 0 HB3 LYS A 16 8.914 -6.232 12.117 1.00 41.03 H new ATOM 0 HG2 LYS A 16 7.374 -7.698 10.551 1.00 50.22 H new ATOM 0 HG3 LYS A 16 8.883 -8.457 10.084 1.00 50.22 H new ATOM 0 HD2 LYS A 16 7.881 -8.178 12.947 1.00 43.44 H new ATOM 0 HD3 LYS A 16 7.755 -9.631 11.976 1.00 43.44 H new ATOM 0 HE2 LYS A 16 10.423 -9.148 11.714 1.00 53.52 H new ATOM 0 HE3 LYS A 16 10.151 -8.420 13.285 1.00 53.52 H new ATOM 0 HZ1 LYS A 16 10.586 -11.042 12.853 1.00 52.24 H new ATOM 0 HZ2 LYS A 16 9.843 -10.404 14.240 1.00 52.24 H new ATOM 0 HZ3 LYS A 16 8.892 -11.004 12.968 1.00 52.24 H new ATOM 265 N LYS A 17 8.040 -3.181 10.333 1.00 44.05 N ATOM 266 CA LYS A 17 8.067 -1.829 10.877 1.00 44.15 C ATOM 267 C LYS A 17 6.952 -0.980 10.276 1.00 54.42 C ATOM 268 O LYS A 17 6.918 -0.750 9.069 1.00 32.42 O ATOM 269 CB LYS A 17 9.424 -1.175 10.607 1.00 33.40 C ATOM 270 CG LYS A 17 10.288 -1.032 11.848 1.00 34.51 C ATOM 271 CD LYS A 17 11.268 0.123 11.713 1.00 41.24 C ATOM 272 CE LYS A 17 12.642 -0.248 12.251 1.00 51.32 C ATOM 273 NZ LYS A 17 12.624 -0.448 13.727 1.00 25.10 N ATOM 0 H LYS A 17 7.333 -3.332 9.613 1.00 44.05 H new ATOM 0 HA LYS A 17 7.911 -1.894 11.954 1.00 44.15 H new ATOM 0 HB2 LYS A 17 9.962 -1.767 9.866 1.00 33.40 H new ATOM 0 HB3 LYS A 17 9.262 -0.189 10.171 1.00 33.40 H new ATOM 0 HG2 LYS A 17 9.652 -0.872 12.719 1.00 34.51 H new ATOM 0 HG3 LYS A 17 10.837 -1.958 12.020 1.00 34.51 H new ATOM 0 HD2 LYS A 17 11.352 0.410 10.665 1.00 41.24 H new ATOM 0 HD3 LYS A 17 10.887 0.990 12.252 1.00 41.24 H new ATOM 0 HE2 LYS A 17 12.988 -1.160 11.765 1.00 51.32 H new ATOM 0 HE3 LYS A 17 13.355 0.537 12.000 1.00 51.32 H new ATOM 0 HZ1 LYS A 17 13.578 -0.699 14.055 1.00 25.10 H new ATOM 0 HZ2 LYS A 17 12.318 0.430 14.193 1.00 25.10 H new ATOM 0 HZ3 LYS A 17 11.963 -1.215 13.965 1.00 25.10 H new ATOM 283 N GLU A 18 6.044 -0.514 11.128 1.00 54.45 N ATOM 284 CA GLU A 18 4.929 0.312 10.681 1.00 23.13 C ATOM 285 C GLU A 18 5.110 1.760 11.126 1.00 4.23 C ATOM 286 O GLU A 18 5.605 2.025 12.222 1.00 63.21 O ATOM 287 CB GLU A 18 3.608 -0.240 11.221 1.00 75.31 C ATOM 288 CG GLU A 18 2.439 0.719 11.063 1.00 60.10 C ATOM 289 CD GLU A 18 1.125 0.116 11.523 1.00 70.34 C ATOM 290 OE1 GLU A 18 1.109 -1.088 11.852 1.00 23.23 O ATOM 291 OE2 GLU A 18 0.115 0.850 11.554 1.00 42.34 O ATOM 0 H GLU A 18 6.059 -0.695 12.132 1.00 54.45 H new ATOM 0 HA GLU A 18 4.906 0.287 9.592 1.00 23.13 H new ATOM 0 HB2 GLU A 18 3.375 -1.172 10.706 1.00 75.31 H new ATOM 0 HB3 GLU A 18 3.729 -0.482 12.277 1.00 75.31 H new ATOM 0 HG2 GLU A 18 2.638 1.626 11.634 1.00 60.10 H new ATOM 0 HG3 GLU A 18 2.353 1.013 10.017 1.00 60.10 H new ATOM 296 N GLU A 19 4.705 2.692 10.270 1.00 31.12 N ATOM 297 CA GLU A 19 4.824 4.113 10.575 1.00 41.22 C ATOM 298 C GLU A 19 3.812 4.928 9.774 1.00 64.24 C ATOM 299 O GLU A 19 3.316 4.481 8.739 1.00 63.44 O ATOM 300 CB GLU A 19 6.243 4.604 10.277 1.00 11.45 C ATOM 301 CG GLU A 19 7.252 4.235 11.350 1.00 63.10 C ATOM 302 CD GLU A 19 6.810 4.657 12.737 1.00 15.41 C ATOM 303 OE1 GLU A 19 6.058 5.649 12.844 1.00 23.15 O ATOM 304 OE2 GLU A 19 7.216 3.999 13.717 1.00 41.25 O ATOM 0 H GLU A 19 4.292 2.489 9.360 1.00 31.12 H new ATOM 0 HA GLU A 19 4.616 4.250 11.636 1.00 41.22 H new ATOM 0 HB2 GLU A 19 6.570 4.188 9.324 1.00 11.45 H new ATOM 0 HB3 GLU A 19 6.227 5.688 10.163 1.00 11.45 H new ATOM 0 HG2 GLU A 19 7.413 3.157 11.337 1.00 63.10 H new ATOM 0 HG3 GLU A 19 8.209 4.703 11.120 1.00 63.10 H new ATOM 309 N THR A 20 3.510 6.128 10.261 1.00 63.33 N ATOM 310 CA THR A 20 2.557 7.005 9.593 1.00 25.33 C ATOM 311 C THR A 20 3.270 8.145 8.873 1.00 64.03 C ATOM 312 O THR A 20 4.157 8.788 9.434 1.00 22.01 O ATOM 313 CB THR A 20 1.544 7.597 10.590 1.00 24.12 C ATOM 314 OG1 THR A 20 2.228 8.095 11.745 1.00 12.23 O ATOM 315 CG2 THR A 20 0.524 6.550 11.011 1.00 23.34 C ATOM 0 H THR A 20 3.912 6.514 11.115 1.00 63.33 H new ATOM 0 HA THR A 20 2.024 6.395 8.864 1.00 25.33 H new ATOM 0 HB THR A 20 1.019 8.416 10.098 1.00 24.12 H new ATOM 0 HG1 THR A 20 1.577 8.471 12.374 1.00 12.23 H new ATOM 0 HG21 THR A 20 -0.181 6.991 11.715 1.00 23.34 H new ATOM 0 HG22 THR A 20 -0.015 6.194 10.133 1.00 23.34 H new ATOM 0 HG23 THR A 20 1.036 5.714 11.487 1.00 23.34 H new ATOM 323 N PHE A 21 2.877 8.390 7.628 1.00 12.04 N ATOM 324 CA PHE A 21 3.478 9.453 6.831 1.00 30.13 C ATOM 325 C PHE A 21 2.405 10.343 6.213 1.00 34.13 C ATOM 326 O PHE A 21 1.332 9.873 5.840 1.00 25.02 O ATOM 327 CB PHE A 21 4.359 8.858 5.731 1.00 24.43 C ATOM 328 CG PHE A 21 3.712 7.719 4.994 1.00 35.34 C ATOM 329 CD1 PHE A 21 3.776 6.429 5.492 1.00 0.25 C ATOM 330 CD2 PHE A 21 3.039 7.941 3.803 1.00 12.00 C ATOM 331 CE1 PHE A 21 3.181 5.379 4.818 1.00 33.50 C ATOM 332 CE2 PHE A 21 2.442 6.896 3.124 1.00 14.32 C ATOM 333 CZ PHE A 21 2.514 5.614 3.631 1.00 10.13 C ATOM 0 H PHE A 21 2.144 7.867 7.149 1.00 12.04 H new ATOM 0 HA PHE A 21 4.095 10.063 7.491 1.00 30.13 H new ATOM 0 HB2 PHE A 21 4.616 9.642 5.019 1.00 24.43 H new ATOM 0 HB3 PHE A 21 5.293 8.510 6.173 1.00 24.43 H new ATOM 0 HD1 PHE A 21 4.297 6.241 6.419 1.00 0.25 H new ATOM 0 HD2 PHE A 21 2.980 8.942 3.401 1.00 12.00 H new ATOM 0 HE1 PHE A 21 3.237 4.377 5.218 1.00 33.50 H new ATOM 0 HE2 PHE A 21 1.919 7.082 2.197 1.00 14.32 H new ATOM 0 HZ PHE A 21 2.050 4.796 3.101 1.00 10.13 H new ATOM 342 N ASN A 22 2.704 11.635 6.107 1.00 45.51 N ATOM 343 CA ASN A 22 1.764 12.592 5.536 1.00 73.21 C ATOM 344 C ASN A 22 2.295 13.156 4.222 1.00 33.34 C ATOM 345 O ASN A 22 3.485 13.057 3.927 1.00 61.11 O ATOM 346 CB ASN A 22 1.501 13.732 6.523 1.00 44.55 C ATOM 347 CG ASN A 22 2.618 14.758 6.533 1.00 71.04 C ATOM 348 OD1 ASN A 22 3.789 14.419 6.359 1.00 50.31 O ATOM 349 ND2 ASN A 22 2.259 16.020 6.737 1.00 71.21 N ATOM 0 H ASN A 22 3.589 12.042 6.409 1.00 45.51 H new ATOM 0 HA ASN A 22 0.828 12.070 5.337 1.00 73.21 H new ATOM 0 HB2 ASN A 22 0.563 14.223 6.265 1.00 44.55 H new ATOM 0 HB3 ASN A 22 1.380 13.321 7.525 1.00 44.55 H new ATOM 0 HD21 ASN A 22 2.966 16.755 6.754 1.00 71.21 H new ATOM 0 HD22 ASN A 22 1.276 16.254 6.877 1.00 71.21 H new ATOM 355 N GLY A 23 1.402 13.749 3.434 1.00 43.45 N ATOM 356 CA GLY A 23 1.799 14.321 2.161 1.00 44.23 C ATOM 357 C GLY A 23 0.659 14.362 1.163 1.00 14.24 C ATOM 358 O GLY A 23 0.103 15.427 0.891 1.00 1.14 O ATOM 0 H GLY A 23 0.411 13.843 3.655 1.00 43.45 H new ATOM 0 HA2 GLY A 23 2.174 15.332 2.322 1.00 44.23 H new ATOM 0 HA3 GLY A 23 2.621 13.739 1.745 1.00 44.23 H new ATOM 362 N ILE A 24 0.310 13.203 0.617 1.00 65.53 N ATOM 363 CA ILE A 24 -0.772 13.112 -0.357 1.00 54.04 C ATOM 364 C ILE A 24 -1.938 12.297 0.191 1.00 44.42 C ATOM 365 O ILE A 24 -1.744 11.223 0.762 1.00 31.44 O ATOM 366 CB ILE A 24 -0.291 12.477 -1.675 1.00 44.34 C ATOM 367 CG1 ILE A 24 0.632 13.440 -2.425 1.00 14.41 C ATOM 368 CG2 ILE A 24 -1.480 12.091 -2.542 1.00 43.43 C ATOM 369 CD1 ILE A 24 2.073 12.983 -2.473 1.00 10.21 C ATOM 0 H ILE A 24 0.760 12.313 0.832 1.00 65.53 H new ATOM 0 HA ILE A 24 -1.105 14.131 -0.554 1.00 54.04 H new ATOM 0 HB ILE A 24 0.272 11.573 -1.441 1.00 44.34 H new ATOM 0 HG12 ILE A 24 0.264 13.563 -3.444 1.00 14.41 H new ATOM 0 HG13 ILE A 24 0.586 14.419 -1.949 1.00 14.41 H new ATOM 0 HG21 ILE A 24 -1.124 11.644 -3.470 1.00 43.43 H new ATOM 0 HG22 ILE A 24 -2.102 11.372 -2.008 1.00 43.43 H new ATOM 0 HG23 ILE A 24 -2.068 12.980 -2.770 1.00 43.43 H new ATOM 0 HD11 ILE A 24 2.669 13.714 -3.020 1.00 10.21 H new ATOM 0 HD12 ILE A 24 2.458 12.887 -1.458 1.00 10.21 H new ATOM 0 HD13 ILE A 24 2.132 12.018 -2.976 1.00 10.21 H new ATOM 380 N SER A 25 -3.149 12.814 0.013 1.00 12.41 N ATOM 381 CA SER A 25 -4.348 12.134 0.493 1.00 35.45 C ATOM 382 C SER A 25 -4.940 11.246 -0.597 1.00 14.53 C ATOM 383 O SER A 25 -6.113 11.373 -0.949 1.00 1.11 O ATOM 384 CB SER A 25 -5.388 13.157 0.954 1.00 51.24 C ATOM 385 OG SER A 25 -5.399 14.292 0.106 1.00 21.44 O ATOM 0 H SER A 25 -3.327 13.700 -0.459 1.00 12.41 H new ATOM 0 HA SER A 25 -4.067 11.505 1.338 1.00 35.45 H new ATOM 0 HB2 SER A 25 -6.376 12.697 0.963 1.00 51.24 H new ATOM 0 HB3 SER A 25 -5.171 13.465 1.977 1.00 51.24 H new ATOM 0 HG SER A 25 -6.287 14.390 -0.298 1.00 21.44 H new ATOM 390 N LYS A 26 -4.120 10.346 -1.127 1.00 64.34 N ATOM 391 CA LYS A 26 -4.561 9.432 -2.176 1.00 34.40 C ATOM 392 C LYS A 26 -3.751 8.141 -2.147 1.00 65.34 C ATOM 393 O LYS A 26 -2.608 8.123 -1.689 1.00 44.33 O ATOM 394 CB LYS A 26 -4.430 10.098 -3.548 1.00 74.11 C ATOM 395 CG LYS A 26 -5.663 10.884 -3.962 1.00 71.33 C ATOM 396 CD LYS A 26 -5.597 11.292 -5.424 1.00 20.33 C ATOM 397 CE LYS A 26 -5.957 12.759 -5.610 1.00 2.12 C ATOM 398 NZ LYS A 26 -6.099 13.117 -7.048 1.00 20.13 N ATOM 0 H LYS A 26 -3.146 10.229 -0.848 1.00 64.34 H new ATOM 0 HA LYS A 26 -5.608 9.188 -1.995 1.00 34.40 H new ATOM 0 HB2 LYS A 26 -3.569 10.767 -3.537 1.00 74.11 H new ATOM 0 HB3 LYS A 26 -4.229 9.332 -4.297 1.00 74.11 H new ATOM 0 HG2 LYS A 26 -6.555 10.281 -3.791 1.00 71.33 H new ATOM 0 HG3 LYS A 26 -5.755 11.773 -3.339 1.00 71.33 H new ATOM 0 HD2 LYS A 26 -4.593 11.111 -5.808 1.00 20.33 H new ATOM 0 HD3 LYS A 26 -6.278 10.672 -6.007 1.00 20.33 H new ATOM 0 HE2 LYS A 26 -6.890 12.973 -5.089 1.00 2.12 H new ATOM 0 HE3 LYS A 26 -5.187 13.382 -5.155 1.00 2.12 H new ATOM 0 HZ1 LYS A 26 -6.344 14.124 -7.132 1.00 20.13 H new ATOM 0 HZ2 LYS A 26 -5.201 12.937 -7.541 1.00 20.13 H new ATOM 0 HZ3 LYS A 26 -6.851 12.540 -7.477 1.00 20.13 H new ATOM 408 N ILE A 27 -4.349 7.062 -2.641 1.00 21.13 N ATOM 409 CA ILE A 27 -3.683 5.766 -2.674 1.00 73.34 C ATOM 410 C ILE A 27 -2.648 5.709 -3.794 1.00 51.24 C ATOM 411 O ILE A 27 -1.686 4.943 -3.725 1.00 12.32 O ATOM 412 CB ILE A 27 -4.692 4.618 -2.864 1.00 70.51 C ATOM 413 CG1 ILE A 27 -5.685 4.586 -1.700 1.00 63.14 C ATOM 414 CG2 ILE A 27 -3.963 3.287 -2.983 1.00 32.53 C ATOM 415 CD1 ILE A 27 -5.046 4.254 -0.370 1.00 73.34 C ATOM 0 H ILE A 27 -5.294 7.060 -3.024 1.00 21.13 H new ATOM 0 HA ILE A 27 -3.183 5.643 -1.713 1.00 73.34 H new ATOM 0 HB ILE A 27 -5.247 4.790 -3.786 1.00 70.51 H new ATOM 0 HG12 ILE A 27 -6.177 5.556 -1.626 1.00 63.14 H new ATOM 0 HG13 ILE A 27 -6.461 3.851 -1.915 1.00 63.14 H new ATOM 0 HG21 ILE A 27 -4.689 2.485 -3.117 1.00 32.53 H new ATOM 0 HG22 ILE A 27 -3.291 3.315 -3.841 1.00 32.53 H new ATOM 0 HG23 ILE A 27 -3.386 3.106 -2.076 1.00 32.53 H new ATOM 0 HD11 ILE A 27 -5.809 4.249 0.409 1.00 73.34 H new ATOM 0 HD12 ILE A 27 -4.578 3.271 -0.426 1.00 73.34 H new ATOM 0 HD13 ILE A 27 -4.290 5.002 -0.133 1.00 73.34 H new ATOM 426 N SER A 28 -2.852 6.525 -4.822 1.00 72.33 N ATOM 427 CA SER A 28 -1.938 6.566 -5.958 1.00 71.23 C ATOM 428 C SER A 28 -0.520 6.896 -5.503 1.00 53.14 C ATOM 429 O SER A 28 0.428 6.179 -5.821 1.00 40.20 O ATOM 430 CB SER A 28 -2.410 7.600 -6.982 1.00 24.11 C ATOM 431 OG SER A 28 -1.310 8.223 -7.622 1.00 62.30 O ATOM 0 H SER A 28 -3.642 7.167 -4.892 1.00 72.33 H new ATOM 0 HA SER A 28 -1.932 5.580 -6.423 1.00 71.23 H new ATOM 0 HB2 SER A 28 -3.042 7.116 -7.727 1.00 24.11 H new ATOM 0 HB3 SER A 28 -3.021 8.354 -6.487 1.00 24.11 H new ATOM 0 HG SER A 28 -1.638 8.878 -8.272 1.00 62.30 H new ATOM 436 N GLU A 29 -0.384 7.987 -4.755 1.00 61.40 N ATOM 437 CA GLU A 29 0.919 8.413 -4.256 1.00 12.22 C ATOM 438 C GLU A 29 1.385 7.514 -3.115 1.00 53.21 C ATOM 439 O GLU A 29 2.575 7.230 -2.978 1.00 74.55 O ATOM 440 CB GLU A 29 0.858 9.866 -3.783 1.00 13.44 C ATOM 441 CG GLU A 29 0.964 10.879 -4.911 1.00 51.34 C ATOM 442 CD GLU A 29 -0.042 10.628 -6.017 1.00 60.50 C ATOM 443 OE1 GLU A 29 -1.258 10.684 -5.739 1.00 65.30 O ATOM 444 OE2 GLU A 29 0.388 10.375 -7.162 1.00 73.33 O ATOM 0 H GLU A 29 -1.159 8.591 -4.482 1.00 61.40 H new ATOM 0 HA GLU A 29 1.636 8.334 -5.073 1.00 12.22 H new ATOM 0 HB2 GLU A 29 -0.079 10.026 -3.249 1.00 13.44 H new ATOM 0 HB3 GLU A 29 1.665 10.042 -3.071 1.00 13.44 H new ATOM 0 HG2 GLU A 29 0.814 11.881 -4.509 1.00 51.34 H new ATOM 0 HG3 GLU A 29 1.971 10.850 -5.327 1.00 51.34 H new ATOM 449 N LEU A 30 0.438 7.069 -2.296 1.00 64.22 N ATOM 450 CA LEU A 30 0.750 6.202 -1.164 1.00 24.53 C ATOM 451 C LEU A 30 1.474 4.942 -1.628 1.00 54.15 C ATOM 452 O LEU A 30 2.545 4.606 -1.120 1.00 73.05 O ATOM 453 CB LEU A 30 -0.531 5.822 -0.419 1.00 23.31 C ATOM 454 CG LEU A 30 -0.357 5.389 1.036 1.00 43.35 C ATOM 455 CD1 LEU A 30 -1.710 5.153 1.689 1.00 2.43 C ATOM 456 CD2 LEU A 30 0.503 4.136 1.120 1.00 71.13 C ATOM 0 H LEU A 30 -0.552 7.294 -2.394 1.00 64.22 H new ATOM 0 HA LEU A 30 1.407 6.750 -0.488 1.00 24.53 H new ATOM 0 HB2 LEU A 30 -1.209 6.675 -0.445 1.00 23.31 H new ATOM 0 HB3 LEU A 30 -1.017 5.012 -0.963 1.00 23.31 H new ATOM 0 HG LEU A 30 0.149 6.190 1.575 1.00 43.35 H new ATOM 0 HD11 LEU A 30 -1.565 4.845 2.725 1.00 2.43 H new ATOM 0 HD12 LEU A 30 -2.293 6.074 1.662 1.00 2.43 H new ATOM 0 HD13 LEU A 30 -2.243 4.370 1.149 1.00 2.43 H new ATOM 0 HD21 LEU A 30 0.616 3.842 2.163 1.00 71.13 H new ATOM 0 HD22 LEU A 30 0.025 3.329 0.565 1.00 71.13 H new ATOM 0 HD23 LEU A 30 1.484 4.339 0.691 1.00 71.13 H new ATOM 467 N LEU A 31 0.886 4.250 -2.597 1.00 64.41 N ATOM 468 CA LEU A 31 1.477 3.028 -3.131 1.00 2.31 C ATOM 469 C LEU A 31 2.708 3.341 -3.973 1.00 73.42 C ATOM 470 O LEU A 31 3.710 2.627 -3.916 1.00 14.32 O ATOM 471 CB LEU A 31 0.449 2.267 -3.972 1.00 63.35 C ATOM 472 CG LEU A 31 -0.260 1.104 -3.277 1.00 75.22 C ATOM 473 CD1 LEU A 31 -1.257 0.447 -4.218 1.00 52.10 C ATOM 474 CD2 LEU A 31 0.754 0.086 -2.774 1.00 34.13 C ATOM 0 H LEU A 31 0.001 4.514 -3.029 1.00 64.41 H new ATOM 0 HA LEU A 31 1.784 2.405 -2.291 1.00 2.31 H new ATOM 0 HB2 LEU A 31 -0.306 2.975 -4.313 1.00 63.35 H new ATOM 0 HB3 LEU A 31 0.950 1.882 -4.860 1.00 63.35 H new ATOM 0 HG LEU A 31 -0.807 1.497 -2.420 1.00 75.22 H new ATOM 0 HD11 LEU A 31 -1.752 -0.378 -3.706 1.00 52.10 H new ATOM 0 HD12 LEU A 31 -2.002 1.180 -4.528 1.00 52.10 H new ATOM 0 HD13 LEU A 31 -0.734 0.068 -5.096 1.00 52.10 H new ATOM 0 HD21 LEU A 31 0.232 -0.735 -2.282 1.00 34.13 H new ATOM 0 HD22 LEU A 31 1.328 -0.302 -3.615 1.00 34.13 H new ATOM 0 HD23 LEU A 31 1.428 0.565 -2.064 1.00 34.13 H new ATOM 485 N GLU A 32 2.628 4.414 -4.754 1.00 74.24 N ATOM 486 CA GLU A 32 3.738 4.823 -5.607 1.00 43.24 C ATOM 487 C GLU A 32 4.988 5.101 -4.777 1.00 74.04 C ATOM 488 O GLU A 32 6.099 4.744 -5.169 1.00 72.31 O ATOM 489 CB GLU A 32 3.360 6.068 -6.413 1.00 41.42 C ATOM 490 CG GLU A 32 4.499 6.616 -7.255 1.00 30.32 C ATOM 491 CD GLU A 32 4.037 7.662 -8.251 1.00 21.32 C ATOM 492 OE1 GLU A 32 3.662 7.282 -9.380 1.00 31.02 O ATOM 493 OE2 GLU A 32 4.051 8.861 -7.901 1.00 21.34 O ATOM 0 H GLU A 32 1.806 5.015 -4.814 1.00 74.24 H new ATOM 0 HA GLU A 32 3.954 4.006 -6.295 1.00 43.24 H new ATOM 0 HB2 GLU A 32 2.520 5.827 -7.065 1.00 41.42 H new ATOM 0 HB3 GLU A 32 3.019 6.844 -5.728 1.00 41.42 H new ATOM 0 HG2 GLU A 32 5.253 7.052 -6.600 1.00 30.32 H new ATOM 0 HG3 GLU A 32 4.977 5.796 -7.791 1.00 30.32 H new ATOM 498 N ARG A 33 4.799 5.742 -3.628 1.00 24.05 N ATOM 499 CA ARG A 33 5.910 6.070 -2.743 1.00 30.35 C ATOM 500 C ARG A 33 6.453 4.817 -2.064 1.00 5.44 C ATOM 501 O ARG A 33 7.657 4.561 -2.079 1.00 32.50 O ATOM 502 CB ARG A 33 5.465 7.085 -1.687 1.00 63.35 C ATOM 503 CG ARG A 33 5.500 8.524 -2.172 1.00 71.52 C ATOM 504 CD ARG A 33 4.714 9.442 -1.251 1.00 53.11 C ATOM 505 NE ARG A 33 4.698 10.821 -1.733 1.00 63.30 N ATOM 506 CZ ARG A 33 5.710 11.666 -1.574 1.00 22.43 C ATOM 507 NH1 ARG A 33 6.812 11.277 -0.949 1.00 4.03 N ATOM 508 NH2 ARG A 33 5.620 12.905 -2.043 1.00 11.51 N ATOM 0 H ARG A 33 3.886 6.045 -3.288 1.00 24.05 H new ATOM 0 HA ARG A 33 6.706 6.508 -3.346 1.00 30.35 H new ATOM 0 HB2 ARG A 33 4.451 6.843 -1.367 1.00 63.35 H new ATOM 0 HB3 ARG A 33 6.107 6.990 -0.811 1.00 63.35 H new ATOM 0 HG2 ARG A 33 6.534 8.864 -2.230 1.00 71.52 H new ATOM 0 HG3 ARG A 33 5.089 8.579 -3.180 1.00 71.52 H new ATOM 0 HD2 ARG A 33 3.691 9.077 -1.163 1.00 53.11 H new ATOM 0 HD3 ARG A 33 5.150 9.412 -0.252 1.00 53.11 H new ATOM 0 HE ARG A 33 3.864 11.153 -2.218 1.00 63.30 H new ATOM 0 HH11 ARG A 33 6.885 10.326 -0.588 1.00 4.03 H new ATOM 0 HH12 ARG A 33 7.587 11.929 -0.829 1.00 4.03 H new ATOM 0 HH21 ARG A 33 4.774 13.208 -2.525 1.00 11.51 H new ATOM 0 HH22 ARG A 33 6.397 13.554 -1.921 1.00 11.51 H new ATOM 519 N LEU A 34 5.556 4.038 -1.468 1.00 53.22 N ATOM 520 CA LEU A 34 5.944 2.811 -0.782 1.00 65.42 C ATOM 521 C LEU A 34 6.601 1.831 -1.749 1.00 63.04 C ATOM 522 O LEU A 34 7.471 1.049 -1.363 1.00 71.21 O ATOM 523 CB LEU A 34 4.723 2.159 -0.130 1.00 52.34 C ATOM 524 CG LEU A 34 4.110 2.914 1.050 1.00 75.43 C ATOM 525 CD1 LEU A 34 2.946 2.132 1.637 1.00 2.52 C ATOM 526 CD2 LEU A 34 5.163 3.187 2.114 1.00 43.31 C ATOM 0 H LEU A 34 4.555 4.235 -1.446 1.00 53.22 H new ATOM 0 HA LEU A 34 6.667 3.070 -0.008 1.00 65.42 H new ATOM 0 HB2 LEU A 34 3.954 2.030 -0.892 1.00 52.34 H new ATOM 0 HB3 LEU A 34 5.006 1.162 0.209 1.00 52.34 H new ATOM 0 HG LEU A 34 3.732 3.870 0.688 1.00 75.43 H new ATOM 0 HD11 LEU A 34 2.522 2.685 2.476 1.00 2.52 H new ATOM 0 HD12 LEU A 34 2.182 1.989 0.873 1.00 2.52 H new ATOM 0 HD13 LEU A 34 3.298 1.161 1.984 1.00 2.52 H new ATOM 0 HD21 LEU A 34 4.709 3.725 2.946 1.00 43.31 H new ATOM 0 HD22 LEU A 34 5.571 2.242 2.473 1.00 43.31 H new ATOM 0 HD23 LEU A 34 5.964 3.790 1.687 1.00 43.31 H new ATOM 537 N LYS A 35 6.182 1.880 -3.009 1.00 2.21 N ATOM 538 CA LYS A 35 6.731 1.000 -4.033 1.00 72.42 C ATOM 539 C LYS A 35 8.254 1.073 -4.054 1.00 33.12 C ATOM 540 O LYS A 35 8.936 0.049 -4.024 1.00 41.03 O ATOM 541 CB LYS A 35 6.172 1.374 -5.408 1.00 63.34 C ATOM 542 CG LYS A 35 7.009 0.855 -6.565 1.00 23.15 C ATOM 543 CD LYS A 35 6.357 1.158 -7.905 1.00 53.43 C ATOM 544 CE LYS A 35 5.776 -0.096 -8.540 1.00 43.14 C ATOM 545 NZ LYS A 35 6.021 -0.139 -10.008 1.00 52.03 N ATOM 0 H LYS A 35 5.463 2.521 -3.345 1.00 2.21 H new ATOM 0 HA LYS A 35 6.438 -0.022 -3.794 1.00 72.42 H new ATOM 0 HB2 LYS A 35 5.159 0.982 -5.498 1.00 63.34 H new ATOM 0 HB3 LYS A 35 6.101 2.459 -5.480 1.00 63.34 H new ATOM 0 HG2 LYS A 35 8.000 1.308 -6.531 1.00 23.15 H new ATOM 0 HG3 LYS A 35 7.147 -0.221 -6.461 1.00 23.15 H new ATOM 0 HD2 LYS A 35 5.567 1.897 -7.767 1.00 53.43 H new ATOM 0 HD3 LYS A 35 7.093 1.600 -8.577 1.00 53.43 H new ATOM 0 HE2 LYS A 35 6.216 -0.977 -8.072 1.00 43.14 H new ATOM 0 HE3 LYS A 35 4.704 -0.136 -8.350 1.00 43.14 H new ATOM 0 HZ1 LYS A 35 5.610 -1.009 -10.403 1.00 52.03 H new ATOM 0 HZ2 LYS A 35 5.580 0.688 -10.458 1.00 52.03 H new ATOM 0 HZ3 LYS A 35 7.045 -0.127 -10.190 1.00 52.03 H new ATOM 555 N VAL A 36 8.783 2.292 -4.106 1.00 15.32 N ATOM 556 CA VAL A 36 10.226 2.499 -4.127 1.00 35.45 C ATOM 557 C VAL A 36 10.826 2.335 -2.736 1.00 45.01 C ATOM 558 O VAL A 36 11.911 1.774 -2.581 1.00 11.33 O ATOM 559 CB VAL A 36 10.584 3.897 -4.666 1.00 30.41 C ATOM 560 CG1 VAL A 36 12.089 4.036 -4.835 1.00 44.42 C ATOM 561 CG2 VAL A 36 9.865 4.161 -5.981 1.00 73.44 C ATOM 0 H VAL A 36 8.233 3.151 -4.134 1.00 15.32 H new ATOM 0 HA VAL A 36 10.644 1.742 -4.791 1.00 35.45 H new ATOM 0 HB VAL A 36 10.254 4.642 -3.941 1.00 30.41 H new ATOM 0 HG11 VAL A 36 12.322 5.030 -5.217 1.00 44.42 H new ATOM 0 HG12 VAL A 36 12.578 3.893 -3.871 1.00 44.42 H new ATOM 0 HG13 VAL A 36 12.447 3.284 -5.538 1.00 44.42 H new ATOM 0 HG21 VAL A 36 10.129 5.153 -6.347 1.00 73.44 H new ATOM 0 HG22 VAL A 36 10.162 3.412 -6.715 1.00 73.44 H new ATOM 0 HG23 VAL A 36 8.788 4.108 -5.824 1.00 73.44 H new ATOM 571 N GLU A 37 10.113 2.826 -1.728 1.00 25.02 N ATOM 572 CA GLU A 37 10.577 2.732 -0.349 1.00 0.44 C ATOM 573 C GLU A 37 10.960 1.297 0.000 1.00 64.15 C ATOM 574 O GLU A 37 12.053 1.041 0.508 1.00 62.23 O ATOM 575 CB GLU A 37 9.494 3.229 0.611 1.00 51.30 C ATOM 576 CG GLU A 37 9.900 4.462 1.401 1.00 42.14 C ATOM 577 CD GLU A 37 9.984 5.706 0.539 1.00 51.32 C ATOM 578 OE1 GLU A 37 10.965 5.835 -0.223 1.00 65.12 O ATOM 579 OE2 GLU A 37 9.069 6.551 0.625 1.00 13.30 O ATOM 0 H GLU A 37 9.213 3.292 -1.840 1.00 25.02 H new ATOM 0 HA GLU A 37 11.461 3.361 -0.247 1.00 0.44 H new ATOM 0 HB2 GLU A 37 8.591 3.453 0.042 1.00 51.30 H new ATOM 0 HB3 GLU A 37 9.242 2.429 1.307 1.00 51.30 H new ATOM 0 HG2 GLU A 37 9.181 4.628 2.203 1.00 42.14 H new ATOM 0 HG3 GLU A 37 10.867 4.285 1.872 1.00 42.14 H new ATOM 584 N TYR A 38 10.055 0.365 -0.274 1.00 13.32 N ATOM 585 CA TYR A 38 10.296 -1.044 0.013 1.00 32.40 C ATOM 586 C TYR A 38 10.937 -1.741 -1.183 1.00 5.03 C ATOM 587 O TYR A 38 11.806 -2.598 -1.024 1.00 33.45 O ATOM 588 CB TYR A 38 8.986 -1.742 0.383 1.00 52.24 C ATOM 589 CG TYR A 38 8.220 -1.047 1.485 1.00 54.44 C ATOM 590 CD1 TYR A 38 8.779 -0.878 2.747 1.00 44.00 C ATOM 591 CD2 TYR A 38 6.939 -0.559 1.267 1.00 12.25 C ATOM 592 CE1 TYR A 38 8.083 -0.245 3.758 1.00 33.41 C ATOM 593 CE2 TYR A 38 6.235 0.078 2.271 1.00 42.52 C ATOM 594 CZ TYR A 38 6.812 0.232 3.516 1.00 20.55 C ATOM 595 OH TYR A 38 6.114 0.865 4.519 1.00 4.12 O ATOM 0 H TYR A 38 9.147 0.560 -0.695 1.00 13.32 H new ATOM 0 HA TYR A 38 10.983 -1.105 0.857 1.00 32.40 H new ATOM 0 HB2 TYR A 38 8.355 -1.805 -0.503 1.00 52.24 H new ATOM 0 HB3 TYR A 38 9.204 -2.764 0.692 1.00 52.24 H new ATOM 0 HD1 TYR A 38 9.775 -1.248 2.940 1.00 44.00 H new ATOM 0 HD2 TYR A 38 6.484 -0.679 0.295 1.00 12.25 H new ATOM 0 HE1 TYR A 38 8.532 -0.124 4.733 1.00 33.41 H new ATOM 0 HE2 TYR A 38 5.240 0.453 2.083 1.00 42.52 H new ATOM 0 HH TYR A 38 5.281 0.379 4.695 1.00 4.12 H new ATOM 604 N GLY A 39 10.501 -1.368 -2.382 1.00 14.31 N ATOM 605 CA GLY A 39 11.041 -1.965 -3.589 1.00 52.32 C ATOM 606 C GLY A 39 9.970 -2.606 -4.448 1.00 61.43 C ATOM 607 O GLY A 39 8.799 -2.642 -4.070 1.00 41.23 O ATOM 0 H GLY A 39 9.782 -0.662 -2.539 1.00 14.31 H new ATOM 0 HA2 GLY A 39 11.558 -1.200 -4.169 1.00 52.32 H new ATOM 0 HA3 GLY A 39 11.783 -2.716 -3.318 1.00 52.32 H new ATOM 611 N SER A 40 10.370 -3.111 -5.611 1.00 44.03 N ATOM 612 CA SER A 40 9.435 -3.749 -6.530 1.00 75.22 C ATOM 613 C SER A 40 8.826 -5.000 -5.905 1.00 60.44 C ATOM 614 O SER A 40 7.681 -5.352 -6.186 1.00 10.21 O ATOM 615 CB SER A 40 10.139 -4.109 -7.840 1.00 43.34 C ATOM 616 OG SER A 40 10.366 -2.956 -8.632 1.00 45.21 O ATOM 0 H SER A 40 11.336 -3.091 -5.939 1.00 44.03 H new ATOM 0 HA SER A 40 8.632 -3.042 -6.740 1.00 75.22 H new ATOM 0 HB2 SER A 40 11.089 -4.598 -7.623 1.00 43.34 H new ATOM 0 HB3 SER A 40 9.533 -4.823 -8.398 1.00 43.34 H new ATOM 0 HG SER A 40 10.818 -3.213 -9.462 1.00 45.21 H new ATOM 621 N GLU A 41 9.602 -5.667 -5.057 1.00 51.11 N ATOM 622 CA GLU A 41 9.141 -6.880 -4.392 1.00 1.31 C ATOM 623 C GLU A 41 7.786 -6.654 -3.726 1.00 11.11 C ATOM 624 O GLU A 41 6.855 -7.438 -3.906 1.00 51.43 O ATOM 625 CB GLU A 41 10.163 -7.339 -3.351 1.00 14.21 C ATOM 626 CG GLU A 41 10.202 -8.845 -3.158 1.00 62.45 C ATOM 627 CD GLU A 41 8.818 -9.462 -3.097 1.00 62.50 C ATOM 628 OE1 GLU A 41 8.088 -9.181 -2.124 1.00 25.55 O ATOM 629 OE2 GLU A 41 8.467 -10.225 -4.021 1.00 61.24 O ATOM 0 H GLU A 41 10.553 -5.388 -4.814 1.00 51.11 H new ATOM 0 HA GLU A 41 9.030 -7.658 -5.148 1.00 1.31 H new ATOM 0 HB2 GLU A 41 11.153 -6.994 -3.650 1.00 14.21 H new ATOM 0 HB3 GLU A 41 9.935 -6.865 -2.396 1.00 14.21 H new ATOM 0 HG2 GLU A 41 10.762 -9.298 -3.976 1.00 62.45 H new ATOM 0 HG3 GLU A 41 10.739 -9.076 -2.238 1.00 62.45 H new ATOM 634 N PHE A 42 7.686 -5.575 -2.956 1.00 23.04 N ATOM 635 CA PHE A 42 6.446 -5.245 -2.262 1.00 52.53 C ATOM 636 C PHE A 42 5.301 -5.054 -3.252 1.00 74.12 C ATOM 637 O PHE A 42 4.244 -5.673 -3.125 1.00 15.32 O ATOM 638 CB PHE A 42 6.628 -3.977 -1.425 1.00 55.23 C ATOM 639 CG PHE A 42 5.344 -3.442 -0.859 1.00 72.10 C ATOM 640 CD1 PHE A 42 4.567 -4.219 -0.015 1.00 0.35 C ATOM 641 CD2 PHE A 42 4.913 -2.162 -1.171 1.00 63.04 C ATOM 642 CE1 PHE A 42 3.384 -3.730 0.505 1.00 51.33 C ATOM 643 CE2 PHE A 42 3.732 -1.668 -0.653 1.00 30.14 C ATOM 644 CZ PHE A 42 2.966 -2.452 0.188 1.00 64.42 C ATOM 0 H PHE A 42 8.447 -4.915 -2.797 1.00 23.04 H new ATOM 0 HA PHE A 42 6.197 -6.076 -1.602 1.00 52.53 H new ATOM 0 HB2 PHE A 42 7.317 -4.187 -0.607 1.00 55.23 H new ATOM 0 HB3 PHE A 42 7.092 -3.208 -2.042 1.00 55.23 H new ATOM 0 HD1 PHE A 42 4.890 -5.218 0.239 1.00 0.35 H new ATOM 0 HD2 PHE A 42 5.508 -1.544 -1.827 1.00 63.04 H new ATOM 0 HE1 PHE A 42 2.786 -4.347 1.159 1.00 51.33 H new ATOM 0 HE2 PHE A 42 3.407 -0.669 -0.905 1.00 30.14 H new ATOM 0 HZ PHE A 42 2.043 -2.067 0.596 1.00 64.42 H new ATOM 653 N THR A 43 5.520 -4.193 -4.241 1.00 54.30 N ATOM 654 CA THR A 43 4.507 -3.917 -5.253 1.00 41.20 C ATOM 655 C THR A 43 4.067 -5.198 -5.952 1.00 41.34 C ATOM 656 O THR A 43 2.883 -5.394 -6.224 1.00 34.14 O ATOM 657 CB THR A 43 5.024 -2.921 -6.308 1.00 23.22 C ATOM 658 OG1 THR A 43 6.046 -2.094 -5.742 1.00 70.30 O ATOM 659 CG2 THR A 43 3.891 -2.050 -6.830 1.00 5.35 C ATOM 0 H THR A 43 6.390 -3.675 -4.363 1.00 54.30 H new ATOM 0 HA THR A 43 3.654 -3.477 -4.736 1.00 41.20 H new ATOM 0 HB THR A 43 5.438 -3.490 -7.141 1.00 23.22 H new ATOM 0 HG1 THR A 43 5.641 -1.285 -5.365 1.00 70.30 H new ATOM 0 HG21 THR A 43 4.280 -1.354 -7.574 1.00 5.35 H new ATOM 0 HG22 THR A 43 3.128 -2.681 -7.287 1.00 5.35 H new ATOM 0 HG23 THR A 43 3.452 -1.490 -6.004 1.00 5.35 H new ATOM 667 N LYS A 44 5.028 -6.070 -6.240 1.00 22.22 N ATOM 668 CA LYS A 44 4.740 -7.334 -6.906 1.00 60.53 C ATOM 669 C LYS A 44 4.058 -8.309 -5.952 1.00 44.03 C ATOM 670 O LYS A 44 3.319 -9.196 -6.380 1.00 11.41 O ATOM 671 CB LYS A 44 6.030 -7.954 -7.449 1.00 54.43 C ATOM 672 CG LYS A 44 6.720 -7.101 -8.500 1.00 5.43 C ATOM 673 CD LYS A 44 6.113 -7.315 -9.876 1.00 22.25 C ATOM 674 CE LYS A 44 6.828 -8.424 -10.634 1.00 14.05 C ATOM 675 NZ LYS A 44 6.272 -8.607 -12.004 1.00 54.40 N ATOM 0 H LYS A 44 6.014 -5.924 -6.022 1.00 22.22 H new ATOM 0 HA LYS A 44 4.063 -7.132 -7.736 1.00 60.53 H new ATOM 0 HB2 LYS A 44 6.718 -8.123 -6.621 1.00 54.43 H new ATOM 0 HB3 LYS A 44 5.802 -8.930 -7.878 1.00 54.43 H new ATOM 0 HG2 LYS A 44 6.641 -6.049 -8.226 1.00 5.43 H new ATOM 0 HG3 LYS A 44 7.782 -7.344 -8.528 1.00 5.43 H new ATOM 0 HD2 LYS A 44 5.057 -7.565 -9.774 1.00 22.25 H new ATOM 0 HD3 LYS A 44 6.168 -6.388 -10.447 1.00 22.25 H new ATOM 0 HE2 LYS A 44 7.891 -8.191 -10.701 1.00 14.05 H new ATOM 0 HE3 LYS A 44 6.741 -9.358 -10.079 1.00 14.05 H new ATOM 0 HZ1 LYS A 44 6.785 -9.371 -12.488 1.00 54.40 H new ATOM 0 HZ2 LYS A 44 5.264 -8.854 -11.939 1.00 54.40 H new ATOM 0 HZ3 LYS A 44 6.378 -7.724 -12.543 1.00 54.40 H new ATOM 685 N GLN A 45 4.309 -8.138 -4.658 1.00 33.10 N ATOM 686 CA GLN A 45 3.718 -9.003 -3.644 1.00 60.12 C ATOM 687 C GLN A 45 2.254 -8.645 -3.410 1.00 71.10 C ATOM 688 O GLN A 45 1.414 -9.524 -3.218 1.00 73.01 O ATOM 689 CB GLN A 45 4.498 -8.893 -2.332 1.00 25.14 C ATOM 690 CG GLN A 45 4.380 -10.125 -1.450 1.00 44.53 C ATOM 691 CD GLN A 45 2.970 -10.343 -0.936 1.00 12.15 C ATOM 692 OE1 GLN A 45 2.225 -9.388 -0.712 1.00 2.03 O ATOM 693 NE2 GLN A 45 2.596 -11.603 -0.747 1.00 21.41 N ATOM 0 H GLN A 45 4.918 -7.408 -4.287 1.00 33.10 H new ATOM 0 HA GLN A 45 3.769 -10.031 -4.004 1.00 60.12 H new ATOM 0 HB2 GLN A 45 5.550 -8.717 -2.558 1.00 25.14 H new ATOM 0 HB3 GLN A 45 4.141 -8.024 -1.778 1.00 25.14 H new ATOM 0 HG2 GLN A 45 4.697 -11.002 -2.014 1.00 44.53 H new ATOM 0 HG3 GLN A 45 5.060 -10.028 -0.604 1.00 44.53 H new ATOM 0 HE21 GLN A 45 3.246 -12.363 -0.946 1.00 21.41 H new ATOM 0 HE22 GLN A 45 1.658 -11.811 -0.403 1.00 21.41 H new ATOM 700 N MET A 46 1.956 -7.351 -3.427 1.00 75.42 N ATOM 701 CA MET A 46 0.593 -6.877 -3.218 1.00 42.32 C ATOM 702 C MET A 46 -0.071 -6.528 -4.546 1.00 15.21 C ATOM 703 O MET A 46 -1.186 -6.005 -4.575 1.00 71.32 O ATOM 704 CB MET A 46 0.590 -5.656 -2.297 1.00 51.34 C ATOM 705 CG MET A 46 -0.721 -5.460 -1.552 1.00 72.30 C ATOM 706 SD MET A 46 -0.804 -3.875 -0.698 1.00 54.35 S ATOM 707 CE MET A 46 -1.377 -2.808 -2.016 1.00 32.23 C ATOM 0 H MET A 46 2.640 -6.611 -3.583 1.00 75.42 H new ATOM 0 HA MET A 46 0.025 -7.679 -2.747 1.00 42.32 H new ATOM 0 HB2 MET A 46 1.399 -5.755 -1.573 1.00 51.34 H new ATOM 0 HB3 MET A 46 0.799 -4.765 -2.888 1.00 51.34 H new ATOM 0 HG2 MET A 46 -1.549 -5.532 -2.257 1.00 72.30 H new ATOM 0 HG3 MET A 46 -0.847 -6.265 -0.828 1.00 72.30 H new ATOM 0 HE1 MET A 46 -1.597 -1.819 -1.614 1.00 32.23 H new ATOM 0 HE2 MET A 46 -0.604 -2.726 -2.780 1.00 32.23 H new ATOM 0 HE3 MET A 46 -2.280 -3.229 -2.458 1.00 32.23 H new ATOM 715 N TYR A 47 0.619 -6.820 -5.642 1.00 34.12 N ATOM 716 CA TYR A 47 0.097 -6.534 -6.974 1.00 15.52 C ATOM 717 C TYR A 47 1.048 -7.042 -8.052 1.00 33.40 C ATOM 718 O TYR A 47 1.980 -6.345 -8.453 1.00 54.23 O ATOM 719 CB TYR A 47 -0.128 -5.030 -7.143 1.00 22.51 C ATOM 720 CG TYR A 47 -1.403 -4.689 -7.881 1.00 14.33 C ATOM 721 CD1 TYR A 47 -2.627 -5.202 -7.468 1.00 30.14 C ATOM 722 CD2 TYR A 47 -1.385 -3.851 -8.989 1.00 73.22 C ATOM 723 CE1 TYR A 47 -3.794 -4.893 -8.139 1.00 12.52 C ATOM 724 CE2 TYR A 47 -2.547 -3.536 -9.666 1.00 11.22 C ATOM 725 CZ TYR A 47 -3.749 -4.059 -9.237 1.00 10.34 C ATOM 726 OH TYR A 47 -4.911 -3.748 -9.907 1.00 71.32 O ATOM 0 H TYR A 47 1.542 -7.255 -5.635 1.00 34.12 H new ATOM 0 HA TYR A 47 -0.856 -7.052 -7.083 1.00 15.52 H new ATOM 0 HB2 TYR A 47 -0.151 -4.561 -6.159 1.00 22.51 H new ATOM 0 HB3 TYR A 47 0.719 -4.602 -7.680 1.00 22.51 H new ATOM 0 HD1 TYR A 47 -2.666 -5.853 -6.608 1.00 30.14 H new ATOM 0 HD2 TYR A 47 -0.446 -3.439 -9.327 1.00 73.22 H new ATOM 0 HE1 TYR A 47 -4.736 -5.302 -7.806 1.00 12.52 H new ATOM 0 HE2 TYR A 47 -2.515 -2.884 -10.526 1.00 11.22 H new ATOM 0 HH TYR A 47 -5.172 -4.502 -10.476 1.00 71.32 H new ATOM 735 N ASP A 48 0.803 -8.261 -8.520 1.00 75.44 N ATOM 736 CA ASP A 48 1.636 -8.864 -9.554 1.00 25.33 C ATOM 737 C ASP A 48 1.021 -8.658 -10.935 1.00 20.44 C ATOM 738 O ASP A 48 0.238 -9.482 -11.407 1.00 50.35 O ATOM 739 CB ASP A 48 1.822 -10.358 -9.283 1.00 74.43 C ATOM 740 CG ASP A 48 2.592 -11.056 -10.387 1.00 31.54 C ATOM 741 OD1 ASP A 48 3.822 -10.855 -10.472 1.00 24.33 O ATOM 742 OD2 ASP A 48 1.963 -11.802 -11.167 1.00 61.13 O ATOM 0 H ASP A 48 0.035 -8.851 -8.200 1.00 75.44 H new ATOM 0 HA ASP A 48 2.610 -8.375 -9.532 1.00 25.33 H new ATOM 0 HB2 ASP A 48 2.348 -10.490 -8.338 1.00 74.43 H new ATOM 0 HB3 ASP A 48 0.845 -10.828 -9.172 1.00 74.43 H new ATOM 746 N GLY A 49 1.381 -7.551 -11.579 1.00 22.30 N ATOM 747 CA GLY A 49 0.854 -7.257 -12.899 1.00 20.21 C ATOM 748 C GLY A 49 -0.465 -6.513 -12.844 1.00 15.24 C ATOM 749 O GLY A 49 -0.492 -5.282 -12.845 1.00 25.31 O ATOM 0 H GLY A 49 2.028 -6.854 -11.210 1.00 22.30 H new ATOM 0 HA2 GLY A 49 1.580 -6.662 -13.453 1.00 20.21 H new ATOM 0 HA3 GLY A 49 0.720 -8.188 -13.449 1.00 20.21 H new ATOM 753 N ASN A 50 -1.563 -7.261 -12.796 1.00 14.03 N ATOM 754 CA ASN A 50 -2.893 -6.663 -12.742 1.00 63.35 C ATOM 755 C ASN A 50 -3.622 -7.072 -11.466 1.00 52.20 C ATOM 756 O ASN A 50 -4.439 -6.319 -10.937 1.00 64.52 O ATOM 757 CB ASN A 50 -3.711 -7.079 -13.967 1.00 52.23 C ATOM 758 CG ASN A 50 -4.691 -6.006 -14.399 1.00 54.20 C ATOM 759 OD1 ASN A 50 -5.892 -6.106 -14.144 1.00 72.41 O ATOM 760 ND2 ASN A 50 -4.182 -4.971 -15.057 1.00 33.20 N ATOM 0 H ASN A 50 -1.558 -8.281 -12.793 1.00 14.03 H new ATOM 0 HA ASN A 50 -2.778 -5.579 -12.741 1.00 63.35 H new ATOM 0 HB2 ASN A 50 -3.035 -7.304 -14.792 1.00 52.23 H new ATOM 0 HB3 ASN A 50 -4.256 -7.996 -13.742 1.00 52.23 H new ATOM 0 HD21 ASN A 50 -4.792 -4.217 -15.373 1.00 33.20 H new ATOM 0 HD22 ASN A 50 -3.181 -4.930 -15.246 1.00 33.20 H new ATOM 766 N ASN A 51 -3.320 -8.270 -10.976 1.00 71.43 N ATOM 767 CA ASN A 51 -3.945 -8.780 -9.761 1.00 33.43 C ATOM 768 C ASN A 51 -2.910 -9.425 -8.846 1.00 44.00 C ATOM 769 O ASN A 51 -1.797 -9.736 -9.271 1.00 50.34 O ATOM 770 CB ASN A 51 -5.035 -9.794 -10.113 1.00 11.34 C ATOM 771 CG ASN A 51 -4.512 -10.934 -10.965 1.00 11.53 C ATOM 772 OD1 ASN A 51 -3.490 -11.543 -10.647 1.00 14.34 O ATOM 773 ND2 ASN A 51 -5.213 -11.229 -12.054 1.00 73.14 N ATOM 0 H ASN A 51 -2.646 -8.906 -11.402 1.00 71.43 H new ATOM 0 HA ASN A 51 -4.396 -7.940 -9.233 1.00 33.43 H new ATOM 0 HB2 ASN A 51 -5.462 -10.197 -9.195 1.00 11.34 H new ATOM 0 HB3 ASN A 51 -5.841 -9.287 -10.644 1.00 11.34 H new ATOM 0 HD21 ASN A 51 -4.910 -11.987 -12.666 1.00 73.14 H new ATOM 0 HD22 ASN A 51 -6.054 -10.697 -12.279 1.00 73.14 H new ATOM 779 N LEU A 52 -3.285 -9.624 -7.587 1.00 71.04 N ATOM 780 CA LEU A 52 -2.389 -10.233 -6.609 1.00 25.52 C ATOM 781 C LEU A 52 -1.781 -11.520 -7.156 1.00 33.31 C ATOM 782 O LEU A 52 -2.343 -12.156 -8.048 1.00 32.13 O ATOM 783 CB LEU A 52 -3.143 -10.524 -5.310 1.00 72.13 C ATOM 784 CG LEU A 52 -3.858 -9.335 -4.669 1.00 13.22 C ATOM 785 CD1 LEU A 52 -3.172 -8.031 -5.047 1.00 20.12 C ATOM 786 CD2 LEU A 52 -5.323 -9.308 -5.080 1.00 43.11 C ATOM 0 H LEU A 52 -4.203 -9.373 -7.219 1.00 71.04 H new ATOM 0 HA LEU A 52 -1.582 -9.530 -6.404 1.00 25.52 H new ATOM 0 HB2 LEU A 52 -3.880 -11.302 -5.508 1.00 72.13 H new ATOM 0 HB3 LEU A 52 -2.436 -10.931 -4.586 1.00 72.13 H new ATOM 0 HG LEU A 52 -3.807 -9.447 -3.586 1.00 13.22 H new ATOM 0 HD11 LEU A 52 -3.696 -7.196 -4.581 1.00 20.12 H new ATOM 0 HD12 LEU A 52 -2.139 -8.050 -4.701 1.00 20.12 H new ATOM 0 HD13 LEU A 52 -3.190 -7.911 -6.130 1.00 20.12 H new ATOM 0 HD21 LEU A 52 -5.816 -8.455 -4.614 1.00 43.11 H new ATOM 0 HD22 LEU A 52 -5.395 -9.221 -6.164 1.00 43.11 H new ATOM 0 HD23 LEU A 52 -5.809 -10.229 -4.757 1.00 43.11 H new ATOM 797 N PHE A 53 -0.627 -11.900 -6.615 1.00 21.01 N ATOM 798 CA PHE A 53 0.057 -13.112 -7.049 1.00 45.45 C ATOM 799 C PHE A 53 -0.598 -14.351 -6.447 1.00 5.31 C ATOM 800 O PHE A 53 -1.152 -15.185 -7.164 1.00 3.14 O ATOM 801 CB PHE A 53 1.534 -13.058 -6.651 1.00 20.21 C ATOM 802 CG PHE A 53 2.260 -14.356 -6.864 1.00 73.21 C ATOM 803 CD1 PHE A 53 2.371 -14.903 -8.132 1.00 34.25 C ATOM 804 CD2 PHE A 53 2.831 -15.029 -5.797 1.00 13.31 C ATOM 805 CE1 PHE A 53 3.038 -16.097 -8.331 1.00 3.24 C ATOM 806 CE2 PHE A 53 3.499 -16.224 -5.988 1.00 23.41 C ATOM 807 CZ PHE A 53 3.603 -16.758 -7.258 1.00 72.13 C ATOM 0 H PHE A 53 -0.147 -11.386 -5.876 1.00 21.01 H new ATOM 0 HA PHE A 53 -0.019 -13.174 -8.135 1.00 45.45 H new ATOM 0 HB2 PHE A 53 2.029 -12.275 -7.226 1.00 20.21 H new ATOM 0 HB3 PHE A 53 1.609 -12.777 -5.601 1.00 20.21 H new ATOM 0 HD1 PHE A 53 1.931 -14.390 -8.975 1.00 34.25 H new ATOM 0 HD2 PHE A 53 2.753 -14.615 -4.803 1.00 13.31 H new ATOM 0 HE1 PHE A 53 3.117 -16.513 -9.325 1.00 3.24 H new ATOM 0 HE2 PHE A 53 3.939 -16.739 -5.147 1.00 23.41 H new ATOM 0 HZ PHE A 53 4.125 -17.691 -7.411 1.00 72.13 H new ATOM 816 N LYS A 54 -0.530 -14.467 -5.125 1.00 42.11 N ATOM 817 CA LYS A 54 -1.117 -15.603 -4.424 1.00 72.23 C ATOM 818 C LYS A 54 -2.583 -15.341 -4.095 1.00 24.12 C ATOM 819 O LYS A 54 -3.461 -16.117 -4.473 1.00 52.44 O ATOM 820 CB LYS A 54 -0.338 -15.893 -3.139 1.00 20.13 C ATOM 821 CG LYS A 54 -0.871 -17.085 -2.361 1.00 75.51 C ATOM 822 CD LYS A 54 -0.724 -18.376 -3.149 1.00 35.42 C ATOM 823 CE LYS A 54 -2.050 -18.816 -3.749 1.00 4.11 C ATOM 824 NZ LYS A 54 -2.018 -20.241 -4.180 1.00 64.33 N ATOM 0 H LYS A 54 -0.074 -13.787 -4.517 1.00 42.11 H new ATOM 0 HA LYS A 54 -1.060 -16.472 -5.080 1.00 72.23 H new ATOM 0 HB2 LYS A 54 0.708 -16.072 -3.390 1.00 20.13 H new ATOM 0 HB3 LYS A 54 -0.366 -15.010 -2.500 1.00 20.13 H new ATOM 0 HG2 LYS A 54 -0.336 -17.172 -1.415 1.00 75.51 H new ATOM 0 HG3 LYS A 54 -1.921 -16.923 -2.119 1.00 75.51 H new ATOM 0 HD2 LYS A 54 0.008 -18.237 -3.944 1.00 35.42 H new ATOM 0 HD3 LYS A 54 -0.340 -19.160 -2.496 1.00 35.42 H new ATOM 0 HE2 LYS A 54 -2.845 -18.676 -3.016 1.00 4.11 H new ATOM 0 HE3 LYS A 54 -2.290 -18.183 -4.604 1.00 4.11 H new ATOM 0 HZ1 LYS A 54 -2.940 -20.502 -4.583 1.00 64.33 H new ATOM 0 HZ2 LYS A 54 -1.277 -20.370 -4.898 1.00 64.33 H new ATOM 0 HZ3 LYS A 54 -1.815 -20.847 -3.360 1.00 64.33 H new ATOM 834 N ASN A 55 -2.840 -14.244 -3.391 1.00 50.11 N ATOM 835 CA ASN A 55 -4.201 -13.880 -3.013 1.00 61.12 C ATOM 836 C ASN A 55 -4.195 -12.853 -1.885 1.00 21.24 C ATOM 837 O ASN A 55 -4.900 -13.005 -0.887 1.00 62.12 O ATOM 838 CB ASN A 55 -4.982 -15.123 -2.581 1.00 73.31 C ATOM 839 CG ASN A 55 -5.997 -15.557 -3.621 1.00 62.21 C ATOM 840 OD1 ASN A 55 -6.575 -14.730 -4.324 1.00 33.44 O ATOM 841 ND2 ASN A 55 -6.218 -16.863 -3.722 1.00 5.04 N ATOM 0 H ASN A 55 -2.124 -13.592 -3.071 1.00 50.11 H new ATOM 0 HA ASN A 55 -4.687 -13.437 -3.882 1.00 61.12 H new ATOM 0 HB2 ASN A 55 -4.285 -15.940 -2.394 1.00 73.31 H new ATOM 0 HB3 ASN A 55 -5.494 -14.919 -1.641 1.00 73.31 H new ATOM 0 HD21 ASN A 55 -6.890 -17.215 -4.404 1.00 5.04 H new ATOM 0 HD22 ASN A 55 -5.716 -17.513 -3.118 1.00 5.04 H new ATOM 847 N VAL A 56 -3.395 -11.804 -2.051 1.00 41.05 N ATOM 848 CA VAL A 56 -3.298 -10.750 -1.048 1.00 34.05 C ATOM 849 C VAL A 56 -4.605 -9.972 -0.942 1.00 52.42 C ATOM 850 O VAL A 56 -5.254 -9.687 -1.948 1.00 71.44 O ATOM 851 CB VAL A 56 -2.155 -9.770 -1.373 1.00 42.11 C ATOM 852 CG1 VAL A 56 -1.828 -8.911 -0.162 1.00 11.31 C ATOM 853 CG2 VAL A 56 -0.924 -10.527 -1.849 1.00 11.31 C ATOM 0 H VAL A 56 -2.805 -11.662 -2.871 1.00 41.05 H new ATOM 0 HA VAL A 56 -3.089 -11.237 -0.095 1.00 34.05 H new ATOM 0 HB VAL A 56 -2.482 -9.111 -2.178 1.00 42.11 H new ATOM 0 HG11 VAL A 56 -1.018 -8.225 -0.411 1.00 11.31 H new ATOM 0 HG12 VAL A 56 -2.710 -8.341 0.129 1.00 11.31 H new ATOM 0 HG13 VAL A 56 -1.521 -9.551 0.665 1.00 11.31 H new ATOM 0 HG21 VAL A 56 -0.126 -9.819 -2.074 1.00 11.31 H new ATOM 0 HG22 VAL A 56 -0.593 -11.211 -1.068 1.00 11.31 H new ATOM 0 HG23 VAL A 56 -1.170 -11.094 -2.747 1.00 11.31 H new ATOM 863 N ILE A 57 -4.985 -9.631 0.285 1.00 33.42 N ATOM 864 CA ILE A 57 -6.214 -8.884 0.523 1.00 11.41 C ATOM 865 C ILE A 57 -5.951 -7.651 1.381 1.00 64.05 C ATOM 866 O ILE A 57 -5.682 -7.762 2.578 1.00 74.14 O ATOM 867 CB ILE A 57 -7.279 -9.757 1.213 1.00 63.11 C ATOM 868 CG1 ILE A 57 -7.603 -10.979 0.351 1.00 43.42 C ATOM 869 CG2 ILE A 57 -8.536 -8.945 1.484 1.00 52.23 C ATOM 870 CD1 ILE A 57 -8.165 -12.142 1.139 1.00 21.30 C ATOM 0 H ILE A 57 -4.460 -9.860 1.129 1.00 33.42 H new ATOM 0 HA ILE A 57 -6.587 -8.572 -0.453 1.00 11.41 H new ATOM 0 HB ILE A 57 -6.882 -10.103 2.167 1.00 63.11 H new ATOM 0 HG12 ILE A 57 -8.320 -10.691 -0.418 1.00 43.42 H new ATOM 0 HG13 ILE A 57 -6.697 -11.302 -0.162 1.00 43.42 H new ATOM 0 HG21 ILE A 57 -9.279 -9.576 1.972 1.00 52.23 H new ATOM 0 HG22 ILE A 57 -8.293 -8.103 2.133 1.00 52.23 H new ATOM 0 HG23 ILE A 57 -8.939 -8.573 0.542 1.00 52.23 H new ATOM 0 HD11 ILE A 57 -8.371 -12.973 0.464 1.00 21.30 H new ATOM 0 HD12 ILE A 57 -7.441 -12.456 1.891 1.00 21.30 H new ATOM 0 HD13 ILE A 57 -9.088 -11.836 1.631 1.00 21.30 H new ATOM 881 N ILE A 58 -6.031 -6.478 0.762 1.00 5.40 N ATOM 882 CA ILE A 58 -5.804 -5.225 1.470 1.00 53.30 C ATOM 883 C ILE A 58 -7.009 -4.298 1.347 1.00 30.54 C ATOM 884 O ILE A 58 -7.581 -4.147 0.266 1.00 5.15 O ATOM 885 CB ILE A 58 -4.554 -4.497 0.941 1.00 22.22 C ATOM 886 CG1 ILE A 58 -4.709 -2.984 1.107 1.00 43.35 C ATOM 887 CG2 ILE A 58 -4.313 -4.853 -0.518 1.00 72.54 C ATOM 888 CD1 ILE A 58 -3.420 -2.219 0.909 1.00 61.52 C ATOM 0 H ILE A 58 -6.251 -6.370 -0.228 1.00 5.40 H new ATOM 0 HA ILE A 58 -5.649 -5.479 2.519 1.00 53.30 H new ATOM 0 HB ILE A 58 -3.690 -4.820 1.522 1.00 22.22 H new ATOM 0 HG12 ILE A 58 -5.450 -2.622 0.394 1.00 43.35 H new ATOM 0 HG13 ILE A 58 -5.097 -2.774 2.104 1.00 43.35 H new ATOM 0 HG21 ILE A 58 -3.426 -4.331 -0.878 1.00 72.54 H new ATOM 0 HG22 ILE A 58 -4.163 -5.929 -0.610 1.00 72.54 H new ATOM 0 HG23 ILE A 58 -5.176 -4.555 -1.113 1.00 72.54 H new ATOM 0 HD11 ILE A 58 -3.605 -1.153 1.042 1.00 61.52 H new ATOM 0 HD12 ILE A 58 -2.683 -2.553 1.639 1.00 61.52 H new ATOM 0 HD13 ILE A 58 -3.041 -2.399 -0.097 1.00 61.52 H new ATOM 899 N LEU A 59 -7.387 -3.677 2.457 1.00 14.20 N ATOM 900 CA LEU A 59 -8.523 -2.761 2.474 1.00 30.20 C ATOM 901 C LEU A 59 -8.100 -1.376 2.952 1.00 13.52 C ATOM 902 O LEU A 59 -7.204 -1.243 3.785 1.00 71.32 O ATOM 903 CB LEU A 59 -9.631 -3.308 3.376 1.00 44.21 C ATOM 904 CG LEU A 59 -10.742 -4.090 2.675 1.00 2.11 C ATOM 905 CD1 LEU A 59 -10.153 -5.166 1.777 1.00 42.03 C ATOM 906 CD2 LEU A 59 -11.689 -4.704 3.696 1.00 32.15 C ATOM 0 H LEU A 59 -6.924 -3.790 3.359 1.00 14.20 H new ATOM 0 HA LEU A 59 -8.902 -2.673 1.456 1.00 30.20 H new ATOM 0 HB2 LEU A 59 -9.176 -3.955 4.125 1.00 44.21 H new ATOM 0 HB3 LEU A 59 -10.083 -2.472 3.910 1.00 44.21 H new ATOM 0 HG LEU A 59 -11.310 -3.398 2.053 1.00 2.11 H new ATOM 0 HD11 LEU A 59 -10.959 -5.712 1.287 1.00 42.03 H new ATOM 0 HD12 LEU A 59 -9.517 -4.702 1.023 1.00 42.03 H new ATOM 0 HD13 LEU A 59 -9.560 -5.856 2.377 1.00 42.03 H new ATOM 0 HD21 LEU A 59 -12.473 -5.257 3.179 1.00 32.15 H new ATOM 0 HD22 LEU A 59 -11.135 -5.382 4.345 1.00 32.15 H new ATOM 0 HD23 LEU A 59 -12.138 -3.913 4.297 1.00 32.15 H new ATOM 917 N VAL A 60 -8.753 -0.347 2.421 1.00 72.14 N ATOM 918 CA VAL A 60 -8.447 1.028 2.796 1.00 50.15 C ATOM 919 C VAL A 60 -9.688 1.746 3.314 1.00 21.20 C ATOM 920 O VAL A 60 -10.738 1.732 2.673 1.00 32.42 O ATOM 921 CB VAL A 60 -7.868 1.819 1.608 1.00 23.24 C ATOM 922 CG1 VAL A 60 -7.485 3.226 2.038 1.00 34.13 C ATOM 923 CG2 VAL A 60 -6.671 1.089 1.015 1.00 13.22 C ATOM 0 H VAL A 60 -9.497 -0.440 1.730 1.00 72.14 H new ATOM 0 HA VAL A 60 -7.701 0.980 3.589 1.00 50.15 H new ATOM 0 HB VAL A 60 -8.635 1.897 0.838 1.00 23.24 H new ATOM 0 HG11 VAL A 60 -7.078 3.769 1.185 1.00 34.13 H new ATOM 0 HG12 VAL A 60 -8.368 3.745 2.411 1.00 34.13 H new ATOM 0 HG13 VAL A 60 -6.734 3.174 2.827 1.00 34.13 H new ATOM 0 HG21 VAL A 60 -6.274 1.662 0.177 1.00 13.22 H new ATOM 0 HG22 VAL A 60 -5.899 0.978 1.776 1.00 13.22 H new ATOM 0 HG23 VAL A 60 -6.982 0.104 0.667 1.00 13.22 H new ATOM 933 N ASN A 61 -9.559 2.374 4.478 1.00 21.33 N ATOM 934 CA ASN A 61 -10.671 3.099 5.082 1.00 51.13 C ATOM 935 C ASN A 61 -11.843 2.162 5.361 1.00 12.31 C ATOM 936 O ASN A 61 -12.989 2.473 5.038 1.00 42.40 O ATOM 937 CB ASN A 61 -11.121 4.239 4.168 1.00 33.01 C ATOM 938 CG ASN A 61 -12.163 5.127 4.821 1.00 73.14 C ATOM 939 OD1 ASN A 61 -11.896 5.545 6.054 1.00 43.53 O flip ATOM 940 ND2 ASN A 61 -13.195 5.436 4.224 1.00 65.54 N flip ATOM 0 H ASN A 61 -8.696 2.396 5.022 1.00 21.33 H new ATOM 0 HA ASN A 61 -10.329 3.516 6.029 1.00 51.13 H new ATOM 0 HB2 ASN A 61 -10.256 4.842 3.891 1.00 33.01 H new ATOM 0 HB3 ASN A 61 -11.528 3.823 3.246 1.00 33.01 H new ATOM 0 HD21 ASN A 61 -13.359 5.092 3.278 1.00 65.54 H new ATOM 0 HD22 ASN A 61 -13.885 6.036 4.676 1.00 65.54 H new ATOM 946 N GLY A 62 -11.547 1.015 5.963 1.00 44.35 N ATOM 947 CA GLY A 62 -12.585 0.051 6.275 1.00 45.41 C ATOM 948 C GLY A 62 -13.439 -0.293 5.070 1.00 54.51 C ATOM 949 O GLY A 62 -14.663 -0.366 5.169 1.00 63.02 O ATOM 0 H GLY A 62 -10.606 0.736 6.240 1.00 44.35 H new ATOM 0 HA2 GLY A 62 -12.127 -0.859 6.663 1.00 45.41 H new ATOM 0 HA3 GLY A 62 -13.221 0.450 7.065 1.00 45.41 H new ATOM 953 N ASN A 63 -12.791 -0.504 3.929 1.00 54.24 N ATOM 954 CA ASN A 63 -13.499 -0.838 2.699 1.00 44.21 C ATOM 955 C ASN A 63 -12.521 -1.034 1.544 1.00 4.42 C ATOM 956 O ASN A 63 -11.378 -0.584 1.604 1.00 25.42 O ATOM 957 CB ASN A 63 -14.505 0.259 2.350 1.00 13.22 C ATOM 958 CG ASN A 63 -15.932 -0.140 2.673 1.00 52.31 C ATOM 959 OD1 ASN A 63 -16.590 0.485 3.505 1.00 31.33 O ATOM 960 ND2 ASN A 63 -16.417 -1.186 2.015 1.00 23.40 N ATOM 0 H ASN A 63 -11.777 -0.450 3.831 1.00 54.24 H new ATOM 0 HA ASN A 63 -14.035 -1.773 2.861 1.00 44.21 H new ATOM 0 HB2 ASN A 63 -14.252 1.167 2.897 1.00 13.22 H new ATOM 0 HB3 ASN A 63 -14.428 0.494 1.288 1.00 13.22 H new ATOM 0 HD21 ASN A 63 -17.371 -1.501 2.191 1.00 23.40 H new ATOM 0 HD22 ASN A 63 -15.836 -1.674 1.334 1.00 23.40 H new ATOM 966 N ASN A 64 -12.981 -1.707 0.495 1.00 24.13 N ATOM 967 CA ASN A 64 -12.147 -1.962 -0.674 1.00 64.32 C ATOM 968 C ASN A 64 -12.203 -0.789 -1.648 1.00 22.41 C ATOM 969 O ASN A 64 -13.276 -0.408 -2.116 1.00 25.21 O ATOM 970 CB ASN A 64 -12.596 -3.245 -1.377 1.00 73.30 C ATOM 971 CG ASN A 64 -14.093 -3.281 -1.614 1.00 32.02 C ATOM 972 OD1 ASN A 64 -14.872 -3.551 -0.699 1.00 63.32 O ATOM 973 ND2 ASN A 64 -14.504 -3.008 -2.846 1.00 21.44 N ATOM 0 H ASN A 64 -13.926 -2.086 0.430 1.00 24.13 H new ATOM 0 HA ASN A 64 -11.118 -2.082 -0.336 1.00 64.32 H new ATOM 0 HB2 ASN A 64 -12.078 -3.333 -2.332 1.00 73.30 H new ATOM 0 HB3 ASN A 64 -12.305 -4.106 -0.776 1.00 73.30 H new ATOM 0 HD21 ASN A 64 -15.500 -3.017 -3.065 1.00 21.44 H new ATOM 0 HD22 ASN A 64 -13.824 -2.789 -3.574 1.00 21.44 H new ATOM 979 N ILE A 65 -11.039 -0.222 -1.951 1.00 5.31 N ATOM 980 CA ILE A 65 -10.956 0.905 -2.870 1.00 15.22 C ATOM 981 C ILE A 65 -11.597 0.570 -4.212 1.00 44.10 C ATOM 982 O ILE A 65 -12.088 1.452 -4.918 1.00 63.34 O ATOM 983 CB ILE A 65 -9.495 1.333 -3.105 1.00 25.22 C ATOM 984 CG1 ILE A 65 -8.701 0.187 -3.734 1.00 75.21 C ATOM 985 CG2 ILE A 65 -8.855 1.773 -1.797 1.00 23.21 C ATOM 986 CD1 ILE A 65 -7.253 0.533 -4.007 1.00 53.02 C ATOM 0 H ILE A 65 -10.142 -0.525 -1.573 1.00 5.31 H new ATOM 0 HA ILE A 65 -11.498 1.729 -2.407 1.00 15.22 H new ATOM 0 HB ILE A 65 -9.485 2.178 -3.793 1.00 25.22 H new ATOM 0 HG12 ILE A 65 -8.741 -0.678 -3.072 1.00 75.21 H new ATOM 0 HG13 ILE A 65 -9.179 -0.105 -4.669 1.00 75.21 H new ATOM 0 HG21 ILE A 65 -7.823 2.072 -1.980 1.00 23.21 H new ATOM 0 HG22 ILE A 65 -9.410 2.616 -1.386 1.00 23.21 H new ATOM 0 HG23 ILE A 65 -8.873 0.946 -1.087 1.00 23.21 H new ATOM 0 HD11 ILE A 65 -6.751 -0.326 -4.453 1.00 53.02 H new ATOM 0 HD12 ILE A 65 -7.204 1.378 -4.693 1.00 53.02 H new ATOM 0 HD13 ILE A 65 -6.759 0.796 -3.072 1.00 53.02 H new ATOM 997 N THR A 66 -11.593 -0.715 -4.559 1.00 14.33 N ATOM 998 CA THR A 66 -12.175 -1.168 -5.816 1.00 43.03 C ATOM 999 C THR A 66 -13.657 -0.821 -5.893 1.00 13.32 C ATOM 1000 O THR A 66 -14.209 -0.651 -6.980 1.00 72.24 O ATOM 1001 CB THR A 66 -12.005 -2.688 -5.997 1.00 62.20 C ATOM 1002 OG1 THR A 66 -12.557 -3.380 -4.871 1.00 4.21 O ATOM 1003 CG2 THR A 66 -10.537 -3.054 -6.153 1.00 2.30 C ATOM 0 H THR A 66 -11.193 -1.459 -3.987 1.00 14.33 H new ATOM 0 HA THR A 66 -11.643 -0.652 -6.615 1.00 43.03 H new ATOM 0 HB THR A 66 -12.535 -2.985 -6.902 1.00 62.20 H new ATOM 0 HG1 THR A 66 -12.447 -4.346 -4.994 1.00 4.21 H new ATOM 0 HG21 THR A 66 -10.442 -4.133 -6.279 1.00 2.30 H new ATOM 0 HG22 THR A 66 -10.127 -2.549 -7.028 1.00 2.30 H new ATOM 0 HG23 THR A 66 -9.988 -2.743 -5.264 1.00 2.30 H new ATOM 1011 N SER A 67 -14.296 -0.716 -4.732 1.00 25.21 N ATOM 1012 CA SER A 67 -15.717 -0.392 -4.668 1.00 71.21 C ATOM 1013 C SER A 67 -16.033 0.833 -5.522 1.00 5.44 C ATOM 1014 O SER A 67 -17.034 0.862 -6.237 1.00 1.23 O ATOM 1015 CB SER A 67 -16.139 -0.141 -3.220 1.00 15.15 C ATOM 1016 OG SER A 67 -17.523 0.157 -3.137 1.00 42.02 O ATOM 0 H SER A 67 -13.853 -0.850 -3.823 1.00 25.21 H new ATOM 0 HA SER A 67 -16.277 -1.241 -5.060 1.00 71.21 H new ATOM 0 HB2 SER A 67 -15.916 -1.020 -2.615 1.00 15.15 H new ATOM 0 HB3 SER A 67 -15.560 0.685 -2.807 1.00 15.15 H new ATOM 0 HG SER A 67 -17.769 0.312 -2.201 1.00 42.02 H new ATOM 1021 N MET A 68 -15.171 1.841 -5.441 1.00 31.43 N ATOM 1022 CA MET A 68 -15.358 3.068 -6.207 1.00 64.33 C ATOM 1023 C MET A 68 -14.168 3.320 -7.127 1.00 74.13 C ATOM 1024 O MET A 68 -14.252 3.116 -8.339 1.00 54.33 O ATOM 1025 CB MET A 68 -15.551 4.258 -5.265 1.00 52.44 C ATOM 1026 CG MET A 68 -15.036 4.007 -3.856 1.00 32.45 C ATOM 1027 SD MET A 68 -15.259 5.431 -2.772 1.00 25.35 S ATOM 1028 CE MET A 68 -15.262 4.637 -1.167 1.00 21.12 C ATOM 0 H MET A 68 -14.337 1.833 -4.854 1.00 31.43 H new ATOM 0 HA MET A 68 -16.251 2.952 -6.821 1.00 64.33 H new ATOM 0 HB2 MET A 68 -15.040 5.127 -5.681 1.00 52.44 H new ATOM 0 HB3 MET A 68 -16.612 4.505 -5.217 1.00 52.44 H new ATOM 0 HG2 MET A 68 -15.554 3.147 -3.431 1.00 32.45 H new ATOM 0 HG3 MET A 68 -13.977 3.751 -3.900 1.00 32.45 H new ATOM 0 HE1 MET A 68 -15.392 5.389 -0.389 1.00 21.12 H new ATOM 0 HE2 MET A 68 -16.081 3.919 -1.118 1.00 21.12 H new ATOM 0 HE3 MET A 68 -14.315 4.118 -1.016 1.00 21.12 H new ATOM 1036 N LYS A 69 -13.059 3.766 -6.546 1.00 1.53 N ATOM 1037 CA LYS A 69 -11.852 4.046 -7.313 1.00 55.33 C ATOM 1038 C LYS A 69 -10.654 3.301 -6.731 1.00 34.24 C ATOM 1039 O LYS A 69 -10.416 3.335 -5.525 1.00 73.13 O ATOM 1040 CB LYS A 69 -11.571 5.551 -7.330 1.00 71.03 C ATOM 1041 CG LYS A 69 -12.336 6.299 -8.409 1.00 40.34 C ATOM 1042 CD LYS A 69 -12.442 7.781 -8.090 1.00 43.54 C ATOM 1043 CE LYS A 69 -13.577 8.437 -8.861 1.00 31.55 C ATOM 1044 NZ LYS A 69 -13.482 8.167 -10.323 1.00 53.54 N ATOM 0 H LYS A 69 -12.972 3.941 -5.545 1.00 1.53 H new ATOM 0 HA LYS A 69 -12.012 3.701 -8.335 1.00 55.33 H new ATOM 0 HB2 LYS A 69 -11.827 5.971 -6.357 1.00 71.03 H new ATOM 0 HB3 LYS A 69 -10.503 5.711 -7.476 1.00 71.03 H new ATOM 0 HG2 LYS A 69 -11.836 6.167 -9.369 1.00 40.34 H new ATOM 0 HG3 LYS A 69 -13.335 5.875 -8.509 1.00 40.34 H new ATOM 0 HD2 LYS A 69 -12.603 7.913 -7.020 1.00 43.54 H new ATOM 0 HD3 LYS A 69 -11.502 8.275 -8.334 1.00 43.54 H new ATOM 0 HE2 LYS A 69 -14.532 8.069 -8.485 1.00 31.55 H new ATOM 0 HE3 LYS A 69 -13.559 9.513 -8.688 1.00 31.55 H new ATOM 0 HZ1 LYS A 69 -14.130 8.799 -10.836 1.00 53.54 H new ATOM 0 HZ2 LYS A 69 -12.507 8.335 -10.645 1.00 53.54 H new ATOM 0 HZ3 LYS A 69 -13.743 7.178 -10.511 1.00 53.54 H new ATOM 1054 N GLY A 70 -9.901 2.632 -7.598 1.00 24.33 N ATOM 1055 CA GLY A 70 -8.737 1.890 -7.153 1.00 74.04 C ATOM 1056 C GLY A 70 -7.717 2.773 -6.462 1.00 73.30 C ATOM 1057 O GLY A 70 -7.851 3.081 -5.277 1.00 14.35 O ATOM 0 H GLY A 70 -10.077 2.591 -8.602 1.00 24.33 H new ATOM 0 HA2 GLY A 70 -9.052 1.101 -6.470 1.00 74.04 H new ATOM 0 HA3 GLY A 70 -8.271 1.403 -8.010 1.00 74.04 H new ATOM 1061 N LEU A 71 -6.691 3.180 -7.203 1.00 11.23 N ATOM 1062 CA LEU A 71 -5.642 4.033 -6.654 1.00 21.31 C ATOM 1063 C LEU A 71 -6.121 5.476 -6.533 1.00 5.50 C ATOM 1064 O LEU A 71 -5.518 6.283 -5.825 1.00 72.52 O ATOM 1065 CB LEU A 71 -4.394 3.971 -7.537 1.00 24.04 C ATOM 1066 CG LEU A 71 -3.153 3.345 -6.900 1.00 20.25 C ATOM 1067 CD1 LEU A 71 -3.425 1.902 -6.507 1.00 22.11 C ATOM 1068 CD2 LEU A 71 -1.967 3.427 -7.852 1.00 1.13 C ATOM 0 H LEU A 71 -6.563 2.933 -8.184 1.00 11.23 H new ATOM 0 HA LEU A 71 -5.394 3.667 -5.658 1.00 21.31 H new ATOM 0 HB2 LEU A 71 -4.638 3.409 -8.438 1.00 24.04 H new ATOM 0 HB3 LEU A 71 -4.145 4.984 -7.851 1.00 24.04 H new ATOM 0 HG LEU A 71 -2.909 3.905 -5.997 1.00 20.25 H new ATOM 0 HD11 LEU A 71 -2.530 1.473 -6.055 1.00 22.11 H new ATOM 0 HD12 LEU A 71 -4.245 1.869 -5.790 1.00 22.11 H new ATOM 0 HD13 LEU A 71 -3.695 1.328 -7.394 1.00 22.11 H new ATOM 0 HD21 LEU A 71 -1.092 2.977 -7.383 1.00 1.13 H new ATOM 0 HD22 LEU A 71 -2.201 2.891 -8.772 1.00 1.13 H new ATOM 0 HD23 LEU A 71 -1.758 4.471 -8.083 1.00 1.13 H new ATOM 1079 N ASP A 72 -7.211 5.793 -7.224 1.00 41.54 N ATOM 1080 CA ASP A 72 -7.774 7.138 -7.189 1.00 62.44 C ATOM 1081 C ASP A 72 -8.531 7.377 -5.887 1.00 30.44 C ATOM 1082 O ASP A 72 -8.975 8.492 -5.610 1.00 33.11 O ATOM 1083 CB ASP A 72 -8.705 7.353 -8.383 1.00 13.22 C ATOM 1084 CG ASP A 72 -8.009 8.033 -9.545 1.00 33.23 C ATOM 1085 OD1 ASP A 72 -7.181 7.374 -10.209 1.00 61.31 O ATOM 1086 OD2 ASP A 72 -8.293 9.223 -9.793 1.00 74.11 O ATOM 0 H ASP A 72 -7.722 5.137 -7.815 1.00 41.54 H new ATOM 0 HA ASP A 72 -6.952 7.852 -7.245 1.00 62.44 H new ATOM 0 HB2 ASP A 72 -9.098 6.391 -8.711 1.00 13.22 H new ATOM 0 HB3 ASP A 72 -9.558 7.956 -8.071 1.00 13.22 H new ATOM 1090 N THR A 73 -8.677 6.323 -5.091 1.00 65.02 N ATOM 1091 CA THR A 73 -9.382 6.418 -3.819 1.00 4.31 C ATOM 1092 C THR A 73 -8.698 7.406 -2.882 1.00 35.40 C ATOM 1093 O THR A 73 -7.495 7.316 -2.643 1.00 74.12 O ATOM 1094 CB THR A 73 -9.473 5.046 -3.123 1.00 73.32 C ATOM 1095 OG1 THR A 73 -10.778 4.489 -3.305 1.00 11.53 O ATOM 1096 CG2 THR A 73 -9.173 5.173 -1.636 1.00 34.54 C ATOM 0 H THR A 73 -8.316 5.393 -5.305 1.00 65.02 H new ATOM 0 HA THR A 73 -10.389 6.772 -4.042 1.00 4.31 H new ATOM 0 HB THR A 73 -8.732 4.386 -3.573 1.00 73.32 H new ATOM 0 HG1 THR A 73 -10.803 3.981 -4.142 1.00 11.53 H new ATOM 0 HG21 THR A 73 -9.243 4.192 -1.166 1.00 34.54 H new ATOM 0 HG22 THR A 73 -8.167 5.569 -1.500 1.00 34.54 H new ATOM 0 HG23 THR A 73 -9.894 5.849 -1.176 1.00 34.54 H new ATOM 1104 N GLU A 74 -9.473 8.349 -2.356 1.00 12.12 N ATOM 1105 CA GLU A 74 -8.939 9.355 -1.445 1.00 35.20 C ATOM 1106 C GLU A 74 -8.722 8.768 -0.053 1.00 14.15 C ATOM 1107 O GLU A 74 -9.343 7.771 0.314 1.00 11.50 O ATOM 1108 CB GLU A 74 -9.885 10.555 -1.364 1.00 51.11 C ATOM 1109 CG GLU A 74 -11.176 10.263 -0.618 1.00 72.02 C ATOM 1110 CD GLU A 74 -12.170 11.404 -0.704 1.00 1.24 C ATOM 1111 OE1 GLU A 74 -12.115 12.167 -1.691 1.00 32.33 O ATOM 1112 OE2 GLU A 74 -13.004 11.535 0.217 1.00 21.31 O ATOM 0 H GLU A 74 -10.471 8.438 -2.545 1.00 12.12 H new ATOM 0 HA GLU A 74 -7.976 9.687 -1.834 1.00 35.20 H new ATOM 0 HB2 GLU A 74 -9.370 11.380 -0.873 1.00 51.11 H new ATOM 0 HB3 GLU A 74 -10.126 10.886 -2.374 1.00 51.11 H new ATOM 0 HG2 GLU A 74 -11.630 9.359 -1.025 1.00 72.02 H new ATOM 0 HG3 GLU A 74 -10.949 10.062 0.429 1.00 72.02 H new ATOM 1117 N ILE A 75 -7.839 9.396 0.716 1.00 53.41 N ATOM 1118 CA ILE A 75 -7.540 8.936 2.067 1.00 13.44 C ATOM 1119 C ILE A 75 -7.209 10.108 2.985 1.00 35.20 C ATOM 1120 O ILE A 75 -6.535 11.056 2.581 1.00 53.44 O ATOM 1121 CB ILE A 75 -6.365 7.942 2.077 1.00 2.31 C ATOM 1122 CG1 ILE A 75 -5.207 8.478 1.233 1.00 10.41 C ATOM 1123 CG2 ILE A 75 -6.817 6.583 1.564 1.00 2.13 C ATOM 1124 CD1 ILE A 75 -3.964 7.618 1.295 1.00 4.23 C ATOM 0 H ILE A 75 -7.318 10.224 0.427 1.00 53.41 H new ATOM 0 HA ILE A 75 -8.434 8.431 2.434 1.00 13.44 H new ATOM 0 HB ILE A 75 -6.017 7.824 3.103 1.00 2.31 H new ATOM 0 HG12 ILE A 75 -5.531 8.559 0.196 1.00 10.41 H new ATOM 0 HG13 ILE A 75 -4.959 9.485 1.569 1.00 10.41 H new ATOM 0 HG21 ILE A 75 -5.975 5.891 1.577 1.00 2.13 H new ATOM 0 HG22 ILE A 75 -7.612 6.199 2.203 1.00 2.13 H new ATOM 0 HG23 ILE A 75 -7.188 6.684 0.544 1.00 2.13 H new ATOM 0 HD11 ILE A 75 -3.185 8.059 0.673 1.00 4.23 H new ATOM 0 HD12 ILE A 75 -3.614 7.557 2.326 1.00 4.23 H new ATOM 0 HD13 ILE A 75 -4.196 6.617 0.931 1.00 4.23 H new ATOM 1135 N LYS A 76 -7.685 10.036 4.223 1.00 54.41 N ATOM 1136 CA LYS A 76 -7.436 11.089 5.201 1.00 11.34 C ATOM 1137 C LYS A 76 -6.781 10.521 6.456 1.00 75.43 C ATOM 1138 O LYS A 76 -6.626 9.308 6.592 1.00 52.53 O ATOM 1139 CB LYS A 76 -8.747 11.790 5.571 1.00 62.34 C ATOM 1140 CG LYS A 76 -9.437 12.449 4.390 1.00 71.12 C ATOM 1141 CD LYS A 76 -8.862 13.826 4.107 1.00 34.35 C ATOM 1142 CE LYS A 76 -7.751 13.765 3.070 1.00 64.33 C ATOM 1143 NZ LYS A 76 -7.635 15.037 2.304 1.00 12.11 N ATOM 0 H LYS A 76 -8.246 9.259 4.573 1.00 54.41 H new ATOM 0 HA LYS A 76 -6.756 11.814 4.753 1.00 11.34 H new ATOM 0 HB2 LYS A 76 -9.425 11.063 6.018 1.00 62.34 H new ATOM 0 HB3 LYS A 76 -8.544 12.545 6.330 1.00 62.34 H new ATOM 0 HG2 LYS A 76 -9.329 11.820 3.507 1.00 71.12 H new ATOM 0 HG3 LYS A 76 -10.505 12.534 4.592 1.00 71.12 H new ATOM 0 HD2 LYS A 76 -9.654 14.487 3.754 1.00 34.35 H new ATOM 0 HD3 LYS A 76 -8.475 14.257 5.031 1.00 34.35 H new ATOM 0 HE2 LYS A 76 -6.804 13.552 3.565 1.00 64.33 H new ATOM 0 HE3 LYS A 76 -7.943 12.943 2.381 1.00 64.33 H new ATOM 0 HZ1 LYS A 76 -7.839 14.858 1.300 1.00 12.11 H new ATOM 0 HZ2 LYS A 76 -8.315 15.730 2.677 1.00 12.11 H new ATOM 0 HZ3 LYS A 76 -6.670 15.413 2.399 1.00 12.11 H new ATOM 1153 N ASP A 77 -6.397 11.406 7.370 1.00 32.15 N ATOM 1154 CA ASP A 77 -5.760 10.994 8.614 1.00 54.21 C ATOM 1155 C ASP A 77 -6.634 9.996 9.368 1.00 71.21 C ATOM 1156 O ASP A 77 -6.136 9.186 10.150 1.00 14.33 O ATOM 1157 CB ASP A 77 -5.478 12.211 9.496 1.00 71.31 C ATOM 1158 CG ASP A 77 -6.748 12.872 9.995 1.00 24.35 C ATOM 1159 OD1 ASP A 77 -7.460 13.486 9.171 1.00 62.04 O ATOM 1160 OD2 ASP A 77 -7.031 12.777 11.207 1.00 53.14 O ATOM 0 H ASP A 77 -6.516 12.414 7.272 1.00 32.15 H new ATOM 0 HA ASP A 77 -4.816 10.509 8.366 1.00 54.21 H new ATOM 0 HB2 ASP A 77 -4.872 11.905 10.349 1.00 71.31 H new ATOM 0 HB3 ASP A 77 -4.892 12.937 8.932 1.00 71.31 H new ATOM 1164 N ASP A 78 -7.939 10.062 9.127 1.00 40.25 N ATOM 1165 CA ASP A 78 -8.883 9.164 9.784 1.00 33.22 C ATOM 1166 C ASP A 78 -8.887 7.795 9.111 1.00 53.14 C ATOM 1167 O ASP A 78 -9.206 6.785 9.740 1.00 33.43 O ATOM 1168 CB ASP A 78 -10.290 9.763 9.757 1.00 53.10 C ATOM 1169 CG ASP A 78 -10.340 11.151 10.367 1.00 4.23 C ATOM 1170 OD1 ASP A 78 -10.030 11.282 11.569 1.00 61.34 O ATOM 1171 OD2 ASP A 78 -10.692 12.104 9.642 1.00 32.23 O ATOM 0 H ASP A 78 -8.367 10.727 8.483 1.00 40.25 H new ATOM 0 HA ASP A 78 -8.569 9.039 10.820 1.00 33.22 H new ATOM 0 HB2 ASP A 78 -10.642 9.809 8.727 1.00 53.10 H new ATOM 0 HB3 ASP A 78 -10.972 9.107 10.298 1.00 53.10 H new ATOM 1175 N ASP A 79 -8.532 7.768 7.831 1.00 54.31 N ATOM 1176 CA ASP A 79 -8.494 6.523 7.074 1.00 11.32 C ATOM 1177 C ASP A 79 -7.351 5.632 7.549 1.00 52.22 C ATOM 1178 O ASP A 79 -6.395 6.105 8.164 1.00 73.32 O ATOM 1179 CB ASP A 79 -8.344 6.814 5.580 1.00 12.01 C ATOM 1180 CG ASP A 79 -9.632 7.310 4.954 1.00 13.43 C ATOM 1181 OD1 ASP A 79 -10.454 7.905 5.683 1.00 34.44 O ATOM 1182 OD2 ASP A 79 -9.819 7.104 3.737 1.00 11.22 O ATOM 0 H ASP A 79 -8.266 8.595 7.296 1.00 54.31 H new ATOM 0 HA ASP A 79 -9.434 5.997 7.241 1.00 11.32 H new ATOM 0 HB2 ASP A 79 -7.562 7.560 5.435 1.00 12.01 H new ATOM 0 HB3 ASP A 79 -8.020 5.908 5.067 1.00 12.01 H new ATOM 1186 N LYS A 80 -7.456 4.339 7.263 1.00 34.32 N ATOM 1187 CA LYS A 80 -6.431 3.381 7.659 1.00 1.33 C ATOM 1188 C LYS A 80 -6.329 2.244 6.648 1.00 45.33 C ATOM 1189 O LYS A 80 -7.342 1.743 6.159 1.00 44.22 O ATOM 1190 CB LYS A 80 -6.743 2.816 9.047 1.00 42.11 C ATOM 1191 CG LYS A 80 -8.190 2.389 9.220 1.00 44.14 C ATOM 1192 CD LYS A 80 -9.013 3.467 9.904 1.00 30.22 C ATOM 1193 CE LYS A 80 -8.943 3.346 11.418 1.00 32.33 C ATOM 1194 NZ LYS A 80 -9.775 2.218 11.923 1.00 62.35 N ATOM 0 H LYS A 80 -8.242 3.930 6.758 1.00 34.32 H new ATOM 0 HA LYS A 80 -5.474 3.902 7.691 1.00 1.33 H new ATOM 0 HB2 LYS A 80 -6.096 1.960 9.235 1.00 42.11 H new ATOM 0 HB3 LYS A 80 -6.503 3.568 9.798 1.00 42.11 H new ATOM 0 HG2 LYS A 80 -8.623 2.164 8.245 1.00 44.14 H new ATOM 0 HG3 LYS A 80 -8.232 1.471 9.807 1.00 44.14 H new ATOM 0 HD2 LYS A 80 -8.652 4.449 9.600 1.00 30.22 H new ATOM 0 HD3 LYS A 80 -10.051 3.394 9.580 1.00 30.22 H new ATOM 0 HE2 LYS A 80 -7.907 3.198 11.723 1.00 32.33 H new ATOM 0 HE3 LYS A 80 -9.280 4.278 11.873 1.00 32.33 H new ATOM 0 HZ1 LYS A 80 -9.866 2.290 12.957 1.00 62.35 H new ATOM 0 HZ2 LYS A 80 -10.719 2.261 11.488 1.00 62.35 H new ATOM 0 HZ3 LYS A 80 -9.321 1.315 11.677 1.00 62.35 H new ATOM 1204 N ILE A 81 -5.102 1.840 6.340 1.00 73.34 N ATOM 1205 CA ILE A 81 -4.868 0.760 5.390 1.00 33.33 C ATOM 1206 C ILE A 81 -4.491 -0.532 6.107 1.00 20.45 C ATOM 1207 O ILE A 81 -3.738 -0.517 7.079 1.00 53.03 O ATOM 1208 CB ILE A 81 -3.755 1.123 4.389 1.00 20.31 C ATOM 1209 CG1 ILE A 81 -4.136 2.378 3.600 1.00 41.24 C ATOM 1210 CG2 ILE A 81 -3.492 -0.042 3.445 1.00 14.21 C ATOM 1211 CD1 ILE A 81 -3.620 3.658 4.219 1.00 71.21 C ATOM 0 H ILE A 81 -4.253 2.245 6.735 1.00 73.34 H new ATOM 0 HA ILE A 81 -5.801 0.611 4.846 1.00 33.33 H new ATOM 0 HB ILE A 81 -2.841 1.330 4.945 1.00 20.31 H new ATOM 0 HG12 ILE A 81 -3.747 2.292 2.585 1.00 41.24 H new ATOM 0 HG13 ILE A 81 -5.222 2.433 3.522 1.00 41.24 H new ATOM 0 HG21 ILE A 81 -2.703 0.229 2.743 1.00 14.21 H new ATOM 0 HG22 ILE A 81 -3.182 -0.914 4.021 1.00 14.21 H new ATOM 0 HG23 ILE A 81 -4.403 -0.277 2.894 1.00 14.21 H new ATOM 0 HD11 ILE A 81 -3.927 4.507 3.608 1.00 71.21 H new ATOM 0 HD12 ILE A 81 -4.029 3.767 5.223 1.00 71.21 H new ATOM 0 HD13 ILE A 81 -2.532 3.624 4.272 1.00 71.21 H new ATOM 1222 N ASP A 82 -5.018 -1.648 5.618 1.00 23.24 N ATOM 1223 CA ASP A 82 -4.736 -2.951 6.209 1.00 40.12 C ATOM 1224 C ASP A 82 -4.275 -3.942 5.145 1.00 2.21 C ATOM 1225 O ASP A 82 -4.805 -3.966 4.033 1.00 71.43 O ATOM 1226 CB ASP A 82 -5.975 -3.490 6.925 1.00 22.13 C ATOM 1227 CG ASP A 82 -7.200 -2.627 6.692 1.00 65.44 C ATOM 1228 OD1 ASP A 82 -7.333 -1.590 7.374 1.00 1.24 O ATOM 1229 OD2 ASP A 82 -8.025 -2.989 5.826 1.00 41.34 O ATOM 0 H ASP A 82 -5.644 -1.677 4.813 1.00 23.24 H new ATOM 0 HA ASP A 82 -3.933 -2.827 6.936 1.00 40.12 H new ATOM 0 HB2 ASP A 82 -6.178 -4.504 6.580 1.00 22.13 H new ATOM 0 HB3 ASP A 82 -5.775 -3.551 7.995 1.00 22.13 H new ATOM 1233 N LEU A 83 -3.288 -4.759 5.493 1.00 60.24 N ATOM 1234 CA LEU A 83 -2.755 -5.753 4.568 1.00 44.21 C ATOM 1235 C LEU A 83 -2.899 -7.160 5.139 1.00 25.33 C ATOM 1236 O LEU A 83 -2.371 -7.466 6.208 1.00 60.53 O ATOM 1237 CB LEU A 83 -1.284 -5.462 4.265 1.00 54.40 C ATOM 1238 CG LEU A 83 -0.664 -6.258 3.117 1.00 30.05 C ATOM 1239 CD1 LEU A 83 -0.398 -7.692 3.545 1.00 61.45 C ATOM 1240 CD2 LEU A 83 -1.569 -6.223 1.894 1.00 3.11 C ATOM 0 H LEU A 83 -2.840 -4.753 6.409 1.00 60.24 H new ATOM 0 HA LEU A 83 -3.328 -5.695 3.643 1.00 44.21 H new ATOM 0 HB2 LEU A 83 -1.184 -4.400 4.040 1.00 54.40 H new ATOM 0 HB3 LEU A 83 -0.703 -5.653 5.168 1.00 54.40 H new ATOM 0 HG LEU A 83 0.288 -5.797 2.853 1.00 30.05 H new ATOM 0 HD11 LEU A 83 0.043 -8.244 2.715 1.00 61.45 H new ATOM 0 HD12 LEU A 83 0.290 -7.698 4.391 1.00 61.45 H new ATOM 0 HD13 LEU A 83 -1.336 -8.165 3.837 1.00 61.45 H new ATOM 0 HD21 LEU A 83 -1.112 -6.795 1.087 1.00 3.11 H new ATOM 0 HD22 LEU A 83 -2.536 -6.659 2.145 1.00 3.11 H new ATOM 0 HD23 LEU A 83 -1.708 -5.190 1.574 1.00 3.11 H new ATOM 1251 N PHE A 84 -3.616 -8.016 4.417 1.00 10.53 N ATOM 1252 CA PHE A 84 -3.829 -9.392 4.851 1.00 32.41 C ATOM 1253 C PHE A 84 -3.244 -10.376 3.842 1.00 12.35 C ATOM 1254 O PHE A 84 -3.398 -10.226 2.629 1.00 41.35 O ATOM 1255 CB PHE A 84 -5.323 -9.664 5.039 1.00 41.32 C ATOM 1256 CG PHE A 84 -5.937 -8.885 6.167 1.00 75.32 C ATOM 1257 CD1 PHE A 84 -5.910 -9.375 7.462 1.00 62.25 C ATOM 1258 CD2 PHE A 84 -6.542 -7.660 5.930 1.00 44.14 C ATOM 1259 CE1 PHE A 84 -6.474 -8.660 8.502 1.00 71.44 C ATOM 1260 CE2 PHE A 84 -7.106 -6.941 6.966 1.00 14.55 C ATOM 1261 CZ PHE A 84 -7.074 -7.442 8.253 1.00 71.04 C ATOM 0 H PHE A 84 -4.059 -7.781 3.529 1.00 10.53 H new ATOM 0 HA PHE A 84 -3.319 -9.530 5.805 1.00 32.41 H new ATOM 0 HB2 PHE A 84 -5.847 -9.423 4.114 1.00 41.32 H new ATOM 0 HB3 PHE A 84 -5.470 -10.729 5.221 1.00 41.32 H new ATOM 0 HD1 PHE A 84 -5.442 -10.328 7.662 1.00 62.25 H new ATOM 0 HD2 PHE A 84 -6.573 -7.264 4.926 1.00 44.14 H new ATOM 0 HE1 PHE A 84 -6.445 -9.054 9.507 1.00 71.44 H new ATOM 0 HE2 PHE A 84 -7.572 -5.987 6.770 1.00 14.55 H new ATOM 0 HZ PHE A 84 -7.518 -6.882 9.063 1.00 71.04 H new ATOM 1270 N PRO A 85 -2.557 -11.408 4.354 1.00 72.22 N ATOM 1271 CA PRO A 85 -1.934 -12.438 3.516 1.00 50.41 C ATOM 1272 C PRO A 85 -2.966 -13.334 2.838 1.00 74.43 C ATOM 1273 O PRO A 85 -4.140 -13.357 3.204 1.00 42.35 O ATOM 1274 CB PRO A 85 -1.096 -13.244 4.510 1.00 24.11 C ATOM 1275 CG PRO A 85 -1.767 -13.041 5.825 1.00 24.42 C ATOM 1276 CD PRO A 85 -2.334 -11.649 5.789 1.00 71.31 C ATOM 0 HA PRO A 85 -1.353 -12.006 2.701 1.00 50.41 H new ATOM 0 HB2 PRO A 85 -1.067 -14.299 4.239 1.00 24.11 H new ATOM 0 HB3 PRO A 85 -0.064 -12.893 4.534 1.00 24.11 H new ATOM 0 HG2 PRO A 85 -2.554 -13.779 5.980 1.00 24.42 H new ATOM 0 HG3 PRO A 85 -1.059 -13.153 6.646 1.00 24.42 H new ATOM 0 HD2 PRO A 85 -3.262 -11.578 6.357 1.00 71.31 H new ATOM 0 HD3 PRO A 85 -1.643 -10.922 6.216 1.00 71.31 H new ATOM 1281 N PRO A 86 -2.517 -14.090 1.825 1.00 4.04 N ATOM 1282 CA PRO A 86 -3.385 -15.003 1.075 1.00 1.12 C ATOM 1283 C PRO A 86 -3.821 -16.204 1.907 1.00 11.01 C ATOM 1284 O PRO A 86 -3.101 -16.646 2.803 1.00 34.51 O ATOM 1285 CB PRO A 86 -2.503 -15.453 -0.091 1.00 65.51 C ATOM 1286 CG PRO A 86 -1.107 -15.297 0.406 1.00 20.13 C ATOM 1287 CD PRO A 86 -1.129 -14.113 1.334 1.00 31.42 C ATOM 0 HA PRO A 86 -4.312 -14.521 0.765 1.00 1.12 H new ATOM 0 HB2 PRO A 86 -2.711 -16.486 -0.369 1.00 65.51 H new ATOM 0 HB3 PRO A 86 -2.678 -14.843 -0.978 1.00 65.51 H new ATOM 0 HG2 PRO A 86 -0.775 -16.195 0.927 1.00 20.13 H new ATOM 0 HG3 PRO A 86 -0.415 -15.133 -0.420 1.00 20.13 H new ATOM 0 HD2 PRO A 86 -0.416 -14.229 2.150 1.00 31.42 H new ATOM 0 HD3 PRO A 86 -0.871 -13.190 0.814 1.00 31.42 H new ATOM 1292 N VAL A 87 -5.005 -16.728 1.607 1.00 4.32 N ATOM 1293 CA VAL A 87 -5.537 -17.879 2.327 1.00 61.12 C ATOM 1294 C VAL A 87 -4.560 -19.049 2.289 1.00 44.30 C ATOM 1295 O VAL A 87 -4.524 -19.870 3.206 1.00 63.01 O ATOM 1296 CB VAL A 87 -6.887 -18.333 1.742 1.00 3.31 C ATOM 1297 CG1 VAL A 87 -7.964 -17.295 2.018 1.00 43.10 C ATOM 1298 CG2 VAL A 87 -6.759 -18.597 0.250 1.00 32.32 C ATOM 0 H VAL A 87 -5.614 -16.374 0.870 1.00 4.32 H new ATOM 0 HA VAL A 87 -5.685 -17.565 3.360 1.00 61.12 H new ATOM 0 HB VAL A 87 -7.180 -19.264 2.228 1.00 3.31 H new ATOM 0 HG11 VAL A 87 -8.911 -17.633 1.597 1.00 43.10 H new ATOM 0 HG12 VAL A 87 -8.072 -17.160 3.094 1.00 43.10 H new ATOM 0 HG13 VAL A 87 -7.681 -16.347 1.560 1.00 43.10 H new ATOM 0 HG21 VAL A 87 -7.722 -18.917 -0.147 1.00 32.32 H new ATOM 0 HG22 VAL A 87 -6.443 -17.684 -0.255 1.00 32.32 H new ATOM 0 HG23 VAL A 87 -6.019 -19.379 0.081 1.00 32.32 H new ATOM 1308 N ALA A 88 -3.769 -19.119 1.224 1.00 21.21 N ATOM 1309 CA ALA A 88 -2.790 -20.188 1.068 1.00 13.21 C ATOM 1310 C ALA A 88 -1.537 -19.908 1.891 1.00 22.43 C ATOM 1311 O ALA A 88 -0.902 -20.827 2.404 1.00 65.13 O ATOM 1312 CB ALA A 88 -2.432 -20.365 -0.400 1.00 63.42 C ATOM 0 H ALA A 88 -3.787 -18.448 0.456 1.00 21.21 H new ATOM 0 HA ALA A 88 -3.235 -21.113 1.436 1.00 13.21 H new ATOM 0 HB1 ALA A 88 -1.700 -21.166 -0.502 1.00 63.42 H new ATOM 0 HB2 ALA A 88 -3.329 -20.619 -0.965 1.00 63.42 H new ATOM 0 HB3 ALA A 88 -2.010 -19.437 -0.786 1.00 63.42 H new