USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1045 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 38 ASN : amide:sc= -2.2! C(o=-1.2!,f=-7.1!) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 TYR OH : rot 29:sc= 1.21 USER MOD Set 2.3: A 77 SER OG : rot 180:sc= -0.492 USER MOD Set 2.4: A 81 GLN : amide:sc= -0.676 X(o=0.04,f=0.37!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0977 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 3 MET CE :methyl -173:sc= 0 (180deg=-0.061) USER MOD Single : A 4 GLN : amide:sc= -0.955 K(o=-0.96,f=-11!) USER MOD Single : A 8 SER OG : rot 75:sc= 1 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= -0.0348 (180deg=-0.314) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.369 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 18 THR OG1 : rot -155:sc= -0.803! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0741 X(o=-0.074,f=-0.28) USER MOD Single : A 22 GLN :FLIP amide:sc= -3.04! C(o=-6.3!,f=-3!) USER MOD Single : A 23 SER OG : rot -35:sc= 0.0363 USER MOD Single : A 29 ASN : amide:sc= -4.26! C(o=-4.3!,f=-5.4!) USER MOD Single : A 30 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.406 (180deg=-1.01) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -1.97 F(o=-3.8!,f=-2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.747 F(o=-2.7!,f=-0.75) USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= 0.545 (180deg=0.0208) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.787) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 0.371 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -7.92! C(o=-9.3!,f=-7.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 72:sc= 1.23 USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= -0.0497 (180deg=-0.177) USER MOD Single : A 75 TYR OH : rot 165:sc= -1.92! USER MOD Single : A 80 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.64! C(o=-2.6!,f=-1.6!) USER MOD Single : A 89 ASN : amide:sc= -7.47! C(o=-7.5!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= -0.514 K(o=-0.51,f=-9.9!) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc=-0.00883 (180deg=-0.211) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -167:sc= 1.26 (180deg=0.796) USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= 0.975 (180deg=0.651) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -83:sc= -0.187! USER MOD Single : A 121 ASN : amide:sc= -4.74! C(o=-4.7!,f=-8.3!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.00513 USER MOD Single : A 126 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0419) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 73:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -50.340 -14.327 -7.384 1.00 22.48 N ATOM 2 CA GLY A 1 -49.964 -12.917 -7.643 1.00 22.34 C ATOM 3 C GLY A 1 -48.720 -12.519 -6.883 1.00 22.10 C ATOM 4 O GLY A 1 -48.077 -13.362 -6.255 1.00 22.12 O ATOM 0 H1 GLY A 1 -50.317 -14.862 -8.276 1.00 22.48 H new ATOM 0 H2 GLY A 1 -49.668 -14.747 -6.710 1.00 22.48 H new ATOM 0 H3 GLY A 1 -51.299 -14.363 -6.984 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -49.798 -12.775 -8.711 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -50.788 -12.263 -7.359 1.00 22.34 H new ATOM 10 N HIS A 2 -48.369 -11.243 -6.947 1.00 21.98 N ATOM 11 CA HIS A 2 -47.214 -10.728 -6.223 1.00 21.88 C ATOM 12 C HIS A 2 -47.556 -9.402 -5.563 1.00 21.50 C ATOM 13 O HIS A 2 -48.236 -8.563 -6.153 1.00 21.64 O ATOM 14 CB HIS A 2 -46.015 -10.540 -7.158 1.00 22.32 C ATOM 15 CG HIS A 2 -45.463 -11.816 -7.714 1.00 22.67 C ATOM 16 ND1 HIS A 2 -45.456 -12.109 -9.060 1.00 22.91 N ATOM 17 CD2 HIS A 2 -44.887 -12.877 -7.099 1.00 22.94 C ATOM 18 CE1 HIS A 2 -44.903 -13.293 -9.249 1.00 23.31 C ATOM 19 NE2 HIS A 2 -44.549 -13.779 -8.077 1.00 23.33 N ATOM 0 H HIS A 2 -48.869 -10.542 -7.495 1.00 21.98 H new ATOM 0 HA HIS A 2 -46.947 -11.457 -5.458 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -46.311 -9.895 -7.985 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -45.224 -10.021 -6.616 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -44.724 -12.992 -6.038 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -44.764 -13.780 -10.203 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -44.097 -14.680 -7.921 1.00 23.33 H new ATOM 28 N MET A 3 -47.088 -9.218 -4.341 1.00 21.13 N ATOM 29 CA MET A 3 -47.322 -7.982 -3.613 1.00 20.87 C ATOM 30 C MET A 3 -46.045 -7.150 -3.561 1.00 20.26 C ATOM 31 O MET A 3 -44.999 -7.626 -3.115 1.00 20.24 O ATOM 32 CB MET A 3 -47.823 -8.285 -2.199 1.00 21.09 C ATOM 33 CG MET A 3 -48.065 -7.045 -1.355 1.00 21.38 C ATOM 34 SD MET A 3 -49.250 -5.914 -2.103 1.00 21.89 S ATOM 35 CE MET A 3 -49.228 -4.576 -0.914 1.00 22.11 C ATOM 0 H MET A 3 -46.542 -9.911 -3.830 1.00 21.13 H new ATOM 0 HA MET A 3 -48.088 -7.408 -4.135 1.00 20.87 H new ATOM 0 HB2 MET A 3 -48.750 -8.854 -2.266 1.00 21.09 H new ATOM 0 HB3 MET A 3 -47.095 -8.920 -1.694 1.00 21.09 H new ATOM 0 HG2 MET A 3 -48.427 -7.345 -0.371 1.00 21.38 H new ATOM 0 HG3 MET A 3 -47.119 -6.525 -1.202 1.00 21.38 H new ATOM 0 HE1 MET A 3 -50.002 -3.851 -1.168 1.00 22.11 H new ATOM 0 HE2 MET A 3 -49.415 -4.973 0.084 1.00 22.11 H new ATOM 0 HE3 MET A 3 -48.253 -4.088 -0.933 1.00 22.11 H new ATOM 45 N GLN A 4 -46.131 -5.917 -4.033 1.00 19.88 N ATOM 46 CA GLN A 4 -44.977 -5.032 -4.091 1.00 19.37 C ATOM 47 C GLN A 4 -45.002 -4.045 -2.927 1.00 18.69 C ATOM 48 O GLN A 4 -45.673 -3.012 -2.986 1.00 18.61 O ATOM 49 CB GLN A 4 -44.967 -4.281 -5.426 1.00 19.44 C ATOM 50 CG GLN A 4 -43.730 -3.424 -5.660 1.00 19.70 C ATOM 51 CD GLN A 4 -42.467 -4.242 -5.885 1.00 20.20 C ATOM 52 OE1 GLN A 4 -42.300 -5.330 -5.337 1.00 20.59 O ATOM 53 NE2 GLN A 4 -41.577 -3.726 -6.717 1.00 20.31 N ATOM 0 H GLN A 4 -46.995 -5.503 -4.384 1.00 19.88 H new ATOM 0 HA GLN A 4 -44.069 -5.630 -4.013 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -45.050 -5.005 -6.236 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -45.850 -3.644 -5.476 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -43.899 -2.783 -6.525 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -43.582 -2.769 -4.802 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -41.751 -2.820 -7.153 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -40.717 -4.234 -6.923 1.00 20.31 H new ATOM 62 N VAL A 5 -44.278 -4.373 -1.867 1.00 18.32 N ATOM 63 CA VAL A 5 -44.216 -3.519 -0.687 1.00 17.78 C ATOM 64 C VAL A 5 -42.906 -2.742 -0.664 1.00 17.06 C ATOM 65 O VAL A 5 -42.897 -1.511 -0.656 1.00 16.99 O ATOM 66 CB VAL A 5 -44.330 -4.344 0.615 1.00 18.09 C ATOM 67 CG1 VAL A 5 -44.351 -3.435 1.836 1.00 18.26 C ATOM 68 CG2 VAL A 5 -45.565 -5.227 0.584 1.00 18.37 C ATOM 0 H VAL A 5 -43.723 -5.226 -1.799 1.00 18.32 H new ATOM 0 HA VAL A 5 -45.058 -2.829 -0.741 1.00 17.78 H new ATOM 0 HB VAL A 5 -43.451 -4.985 0.686 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -44.432 -4.040 2.739 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -43.431 -2.852 1.871 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -45.205 -2.761 1.773 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -45.626 -5.799 1.510 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -46.454 -4.605 0.482 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -45.502 -5.911 -0.262 1.00 18.37 H new ATOM 78 N ALA A 6 -41.806 -3.476 -0.666 1.00 16.65 N ATOM 79 CA ALA A 6 -40.480 -2.883 -0.625 1.00 16.09 C ATOM 80 C ALA A 6 -39.444 -3.901 -1.072 1.00 15.56 C ATOM 81 O ALA A 6 -38.653 -4.395 -0.268 1.00 15.23 O ATOM 82 CB ALA A 6 -40.165 -2.378 0.774 1.00 16.02 C ATOM 0 H ALA A 6 -41.807 -4.496 -0.696 1.00 16.65 H new ATOM 0 HA ALA A 6 -40.453 -2.033 -1.307 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -39.168 -1.937 0.786 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -40.898 -1.625 1.063 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -40.202 -3.209 1.478 1.00 16.02 H new ATOM 88 N ARG A 7 -39.466 -4.214 -2.361 1.00 15.63 N ATOM 89 CA ARG A 7 -38.574 -5.214 -2.932 1.00 15.34 C ATOM 90 C ARG A 7 -37.116 -4.831 -2.687 1.00 14.74 C ATOM 91 O ARG A 7 -36.304 -5.683 -2.322 1.00 14.45 O ATOM 92 CB ARG A 7 -38.853 -5.354 -4.427 1.00 15.83 C ATOM 93 CG ARG A 7 -38.212 -6.577 -5.057 1.00 16.12 C ATOM 94 CD ARG A 7 -38.590 -6.708 -6.521 1.00 16.49 C ATOM 95 NE ARG A 7 -40.038 -6.797 -6.704 1.00 16.78 N ATOM 96 CZ ARG A 7 -40.631 -7.034 -7.873 1.00 17.15 C ATOM 97 NH1 ARG A 7 -39.902 -7.205 -8.970 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -41.954 -7.103 -7.942 1.00 17.53 N ATOM 0 H ARG A 7 -40.099 -3.785 -3.036 1.00 15.63 H new ATOM 0 HA ARG A 7 -38.755 -6.174 -2.448 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -39.931 -5.399 -4.584 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -38.493 -4.462 -4.940 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -37.128 -6.510 -4.964 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -38.524 -7.472 -4.518 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -38.206 -5.850 -7.073 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -38.116 -7.595 -6.940 1.00 16.49 H new ATOM 0 HE ARG A 7 -40.632 -6.670 -5.884 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -38.884 -7.155 -8.919 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -40.360 -7.386 -9.863 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -42.516 -6.975 -7.101 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -42.409 -7.284 -8.837 1.00 17.53 H new ATOM 112 N SER A 8 -36.810 -3.546 -2.885 1.00 14.73 N ATOM 113 CA SER A 8 -35.509 -2.971 -2.528 1.00 14.36 C ATOM 114 C SER A 8 -34.375 -3.471 -3.431 1.00 13.83 C ATOM 115 O SER A 8 -34.244 -4.668 -3.702 1.00 13.83 O ATOM 116 CB SER A 8 -35.194 -3.264 -1.058 1.00 14.71 C ATOM 117 OG SER A 8 -36.290 -2.901 -0.229 1.00 15.09 O ATOM 0 H SER A 8 -37.457 -2.874 -3.297 1.00 14.73 H new ATOM 0 HA SER A 8 -35.578 -1.894 -2.679 1.00 14.36 H new ATOM 0 HB2 SER A 8 -34.972 -4.324 -0.932 1.00 14.71 H new ATOM 0 HB3 SER A 8 -34.304 -2.713 -0.755 1.00 14.71 H new ATOM 0 HG SER A 8 -37.005 -3.564 -0.324 1.00 15.09 H new ATOM 123 N THR A 9 -33.554 -2.537 -3.891 1.00 13.57 N ATOM 124 CA THR A 9 -32.431 -2.859 -4.757 1.00 13.24 C ATOM 125 C THR A 9 -31.295 -3.479 -3.944 1.00 12.78 C ATOM 126 O THR A 9 -31.193 -3.242 -2.737 1.00 12.86 O ATOM 127 CB THR A 9 -31.922 -1.597 -5.481 1.00 13.31 C ATOM 128 OG1 THR A 9 -33.037 -0.825 -5.947 1.00 13.75 O ATOM 129 CG2 THR A 9 -31.037 -1.967 -6.662 1.00 13.07 C ATOM 0 H THR A 9 -33.647 -1.544 -3.676 1.00 13.57 H new ATOM 0 HA THR A 9 -32.772 -3.578 -5.502 1.00 13.24 H new ATOM 0 HB THR A 9 -31.334 -1.011 -4.775 1.00 13.31 H new ATOM 0 HG1 THR A 9 -32.711 -0.023 -6.405 1.00 13.75 H new ATOM 0 HG21 THR A 9 -30.691 -1.059 -7.156 1.00 13.07 H new ATOM 0 HG22 THR A 9 -30.178 -2.538 -6.308 1.00 13.07 H new ATOM 0 HG23 THR A 9 -31.607 -2.570 -7.369 1.00 13.07 H new ATOM 137 N LYS A 10 -30.471 -4.297 -4.610 1.00 12.51 N ATOM 138 CA LYS A 10 -29.337 -4.983 -3.984 1.00 12.26 C ATOM 139 C LYS A 10 -29.831 -6.151 -3.124 1.00 11.57 C ATOM 140 O LYS A 10 -29.040 -6.864 -2.499 1.00 11.56 O ATOM 141 CB LYS A 10 -28.479 -3.993 -3.169 1.00 12.85 C ATOM 142 CG LYS A 10 -27.220 -4.587 -2.555 1.00 13.32 C ATOM 143 CD LYS A 10 -26.296 -5.174 -3.609 1.00 13.86 C ATOM 144 CE LYS A 10 -25.019 -5.716 -2.987 1.00 14.21 C ATOM 145 NZ LYS A 10 -25.299 -6.735 -1.940 1.00 14.58 N1+ ATOM 0 H LYS A 10 -30.574 -4.502 -5.604 1.00 12.51 H new ATOM 0 HA LYS A 10 -28.699 -5.393 -4.767 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -28.193 -3.165 -3.817 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -29.093 -3.576 -2.370 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -26.690 -3.815 -1.997 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -27.496 -5.363 -1.842 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -26.811 -5.973 -4.142 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -26.048 -4.409 -4.345 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -24.396 -6.157 -3.765 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -24.451 -4.894 -2.551 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -24.420 -7.235 -1.698 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -25.675 -6.266 -1.091 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -25.998 -7.417 -2.298 1.00 14.58 H new ATOM 159 N GLU A 11 -31.151 -6.354 -3.148 1.00 11.20 N ATOM 160 CA GLU A 11 -31.820 -7.435 -2.415 1.00 10.71 C ATOM 161 C GLU A 11 -31.795 -7.195 -0.905 1.00 9.66 C ATOM 162 O GLU A 11 -30.853 -6.617 -0.361 1.00 9.26 O ATOM 163 CB GLU A 11 -31.198 -8.800 -2.741 1.00 11.05 C ATOM 164 CG GLU A 11 -31.181 -9.134 -4.226 1.00 11.92 C ATOM 165 CD GLU A 11 -32.560 -9.096 -4.853 1.00 12.59 C ATOM 166 OE1 GLU A 11 -32.884 -8.099 -5.535 1.00 13.16 O ATOM 167 OE2 GLU A 11 -33.331 -10.061 -4.665 1.00 12.70 O1- ATOM 0 H GLU A 11 -31.793 -5.767 -3.682 1.00 11.20 H new ATOM 0 HA GLU A 11 -32.860 -7.440 -2.742 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -30.176 -8.822 -2.362 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -31.751 -9.576 -2.211 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -30.532 -8.429 -4.745 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -30.751 -10.126 -4.366 1.00 11.92 H new ATOM 174 N ILE A 12 -32.846 -7.641 -0.236 1.00 9.40 N ATOM 175 CA ILE A 12 -32.949 -7.511 1.209 1.00 8.58 C ATOM 176 C ILE A 12 -32.238 -8.672 1.892 1.00 8.21 C ATOM 177 O ILE A 12 -32.816 -9.746 2.073 1.00 8.57 O ATOM 178 CB ILE A 12 -34.423 -7.483 1.672 1.00 8.89 C ATOM 179 CG1 ILE A 12 -35.169 -6.324 1.010 1.00 9.53 C ATOM 180 CG2 ILE A 12 -34.502 -7.372 3.190 1.00 8.32 C ATOM 181 CD1 ILE A 12 -36.642 -6.274 1.357 1.00 10.10 C ATOM 0 H ILE A 12 -33.645 -8.099 -0.674 1.00 9.40 H new ATOM 0 HA ILE A 12 -32.478 -6.568 1.487 1.00 8.58 H new ATOM 0 HB ILE A 12 -34.898 -8.416 1.370 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -34.702 -5.385 1.308 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -35.062 -6.404 -0.072 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -35.547 -7.353 3.500 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -34.004 -8.229 3.644 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -34.011 -6.454 3.514 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -37.106 -5.427 0.852 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -37.123 -7.197 1.034 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -36.758 -6.162 2.435 1.00 10.10 H new ATOM 193 N GLU A 13 -30.981 -8.467 2.246 1.00 7.77 N ATOM 194 CA GLU A 13 -30.213 -9.496 2.914 1.00 7.68 C ATOM 195 C GLU A 13 -29.522 -8.946 4.153 1.00 6.98 C ATOM 196 O GLU A 13 -29.968 -9.172 5.277 1.00 6.99 O ATOM 197 CB GLU A 13 -29.170 -10.078 1.968 1.00 8.41 C ATOM 198 CG GLU A 13 -29.751 -10.700 0.718 1.00 9.30 C ATOM 199 CD GLU A 13 -28.698 -11.415 -0.097 1.00 10.20 C ATOM 200 OE1 GLU A 13 -28.666 -12.663 -0.069 1.00 10.61 O ATOM 201 OE2 GLU A 13 -27.878 -10.732 -0.746 1.00 10.66 O1- ATOM 0 H GLU A 13 -30.474 -7.598 2.081 1.00 7.77 H new ATOM 0 HA GLU A 13 -30.905 -10.281 3.219 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -28.476 -9.289 1.680 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -28.591 -10.832 2.501 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -30.536 -11.404 0.994 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -30.217 -9.925 0.110 1.00 9.30 H new ATOM 208 N THR A 14 -28.438 -8.219 3.938 1.00 6.67 N ATOM 209 CA THR A 14 -27.628 -7.720 5.028 1.00 6.26 C ATOM 210 C THR A 14 -28.022 -6.299 5.417 1.00 5.40 C ATOM 211 O THR A 14 -28.779 -6.098 6.370 1.00 5.42 O ATOM 212 CB THR A 14 -26.135 -7.762 4.655 1.00 6.72 C ATOM 213 OG1 THR A 14 -25.950 -7.214 3.341 1.00 7.42 O ATOM 214 CG2 THR A 14 -25.606 -9.188 4.692 1.00 7.00 C ATOM 0 H THR A 14 -28.100 -7.962 3.011 1.00 6.67 H new ATOM 0 HA THR A 14 -27.804 -8.369 5.886 1.00 6.26 H new ATOM 0 HB THR A 14 -25.581 -7.169 5.383 1.00 6.72 H new ATOM 0 HG1 THR A 14 -24.999 -7.240 3.107 1.00 7.42 H new ATOM 0 HG21 THR A 14 -24.549 -9.191 4.425 1.00 7.00 H new ATOM 0 HG22 THR A 14 -25.728 -9.595 5.696 1.00 7.00 H new ATOM 0 HG23 THR A 14 -26.162 -9.801 3.982 1.00 7.00 H new ATOM 222 N SER A 15 -27.517 -5.321 4.665 1.00 5.02 N ATOM 223 CA SER A 15 -27.723 -3.910 4.975 1.00 4.54 C ATOM 224 C SER A 15 -27.243 -3.612 6.398 1.00 3.88 C ATOM 225 O SER A 15 -27.881 -2.871 7.150 1.00 4.02 O ATOM 226 CB SER A 15 -29.198 -3.536 4.812 1.00 5.20 C ATOM 227 OG SER A 15 -29.681 -3.905 3.527 1.00 6.06 O ATOM 0 H SER A 15 -26.957 -5.485 3.829 1.00 5.02 H new ATOM 0 HA SER A 15 -27.141 -3.307 4.278 1.00 4.54 H new ATOM 0 HB2 SER A 15 -29.789 -4.032 5.582 1.00 5.20 H new ATOM 0 HB3 SER A 15 -29.322 -2.463 4.956 1.00 5.20 H new ATOM 0 HG SER A 15 -30.626 -3.657 3.449 1.00 6.06 H new ATOM 233 N GLN A 16 -26.106 -4.203 6.752 1.00 3.65 N ATOM 234 CA GLN A 16 -25.577 -4.106 8.103 1.00 3.49 C ATOM 235 C GLN A 16 -24.851 -2.783 8.315 1.00 2.88 C ATOM 236 O GLN A 16 -25.202 -2.011 9.205 1.00 3.21 O ATOM 237 CB GLN A 16 -24.640 -5.278 8.391 1.00 4.06 C ATOM 238 CG GLN A 16 -24.023 -5.241 9.781 1.00 4.50 C ATOM 239 CD GLN A 16 -23.140 -6.439 10.069 1.00 5.43 C ATOM 240 OE1 GLN A 16 -22.541 -7.020 9.163 1.00 5.86 O ATOM 241 NE2 GLN A 16 -23.051 -6.820 11.330 1.00 6.06 N ATOM 0 H GLN A 16 -25.532 -4.757 6.116 1.00 3.65 H new ATOM 0 HA GLN A 16 -26.416 -4.146 8.798 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -25.192 -6.210 8.273 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -23.842 -5.284 7.649 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -23.435 -4.329 9.887 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -24.819 -5.196 10.525 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -23.562 -6.314 12.053 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -22.471 -7.621 11.581 1.00 6.06 H new ATOM 250 N SER A 17 -23.847 -2.517 7.496 1.00 2.48 N ATOM 251 CA SER A 17 -23.067 -1.301 7.636 1.00 2.00 C ATOM 252 C SER A 17 -22.719 -0.714 6.274 1.00 1.45 C ATOM 253 O SER A 17 -23.293 -1.100 5.253 1.00 1.99 O ATOM 254 CB SER A 17 -21.788 -1.586 8.428 1.00 2.29 C ATOM 255 OG SER A 17 -22.083 -2.196 9.676 1.00 2.91 O ATOM 0 H SER A 17 -23.555 -3.125 6.731 1.00 2.48 H new ATOM 0 HA SER A 17 -23.669 -0.571 8.177 1.00 2.00 H new ATOM 0 HB2 SER A 17 -21.135 -2.237 7.847 1.00 2.29 H new ATOM 0 HB3 SER A 17 -21.245 -0.656 8.594 1.00 2.29 H new ATOM 0 HG SER A 17 -21.249 -2.369 10.161 1.00 2.91 H new ATOM 261 N THR A 18 -21.785 0.221 6.276 1.00 1.04 N ATOM 262 CA THR A 18 -21.302 0.853 5.064 1.00 0.58 C ATOM 263 C THR A 18 -20.517 -0.114 4.190 1.00 0.63 C ATOM 264 O THR A 18 -20.234 -1.246 4.582 1.00 1.40 O ATOM 265 CB THR A 18 -20.402 2.021 5.430 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.591 1.654 6.552 1.00 1.44 O ATOM 267 CG2 THR A 18 -21.219 3.258 5.760 1.00 1.26 C ATOM 0 H THR A 18 -21.338 0.565 7.126 1.00 1.04 H new ATOM 0 HA THR A 18 -22.171 1.192 4.501 1.00 0.58 H new ATOM 0 HB THR A 18 -19.768 2.258 4.576 1.00 0.91 H new ATOM 0 HG1 THR A 18 -19.322 2.461 7.039 1.00 1.44 H new ATOM 0 HG21 THR A 18 -20.549 4.078 6.018 1.00 1.26 H new ATOM 0 HG22 THR A 18 -21.820 3.539 4.895 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.875 3.046 6.604 1.00 1.26 H new ATOM 275 N THR A 19 -20.181 0.337 2.993 1.00 0.61 N ATOM 276 CA THR A 19 -19.313 -0.417 2.120 1.00 0.56 C ATOM 277 C THR A 19 -18.183 0.446 1.626 1.00 0.64 C ATOM 278 O THR A 19 -17.045 0.280 2.053 1.00 1.25 O ATOM 279 CB THR A 19 -20.065 -1.037 0.928 1.00 0.63 C ATOM 280 OG1 THR A 19 -21.050 -1.963 1.406 1.00 0.66 O ATOM 281 CG2 THR A 19 -19.096 -1.745 -0.009 1.00 0.66 C ATOM 0 H THR A 19 -20.500 1.226 2.607 1.00 0.61 H new ATOM 0 HA THR A 19 -18.911 -1.240 2.711 1.00 0.56 H new ATOM 0 HB THR A 19 -20.559 -0.239 0.373 1.00 0.63 H new ATOM 0 HG1 THR A 19 -21.528 -2.354 0.645 1.00 0.66 H new ATOM 0 HG21 THR A 19 -19.647 -2.176 -0.845 1.00 0.66 H new ATOM 0 HG22 THR A 19 -18.366 -1.029 -0.387 1.00 0.66 H new ATOM 0 HG23 THR A 19 -18.580 -2.538 0.533 1.00 0.66 H new ATOM 289 N ALA A 20 -18.518 1.357 0.750 1.00 0.26 N ATOM 290 CA ALA A 20 -17.577 2.318 0.214 1.00 0.22 C ATOM 291 C ALA A 20 -18.195 3.181 -0.857 1.00 0.24 C ATOM 292 O ALA A 20 -19.394 3.125 -1.139 1.00 0.39 O ATOM 293 CB ALA A 20 -16.393 1.627 -0.394 1.00 0.31 C ATOM 0 H ALA A 20 -19.464 1.457 0.381 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.272 2.941 1.055 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.701 2.371 -0.789 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.889 1.031 0.367 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -16.727 0.976 -1.202 1.00 0.31 H new ATOM 299 N ASN A 21 -17.323 3.959 -1.452 1.00 0.23 N ATOM 300 CA ASN A 21 -17.629 4.792 -2.585 1.00 0.24 C ATOM 301 C ASN A 21 -16.502 4.595 -3.567 1.00 0.25 C ATOM 302 O ASN A 21 -15.381 4.344 -3.157 1.00 0.26 O ATOM 303 CB ASN A 21 -17.681 6.247 -2.144 1.00 0.27 C ATOM 304 CG ASN A 21 -18.720 6.483 -1.060 1.00 0.35 C ATOM 305 OD1 ASN A 21 -19.854 6.876 -1.342 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.345 6.231 0.186 1.00 0.35 N ATOM 0 H ASN A 21 -16.351 4.030 -1.150 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.591 4.535 -3.028 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -16.700 6.548 -1.776 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -17.906 6.877 -3.004 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.004 6.361 0.953 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.397 5.907 0.378 1.00 0.35 H new ATOM 313 N GLN A 22 -16.767 4.685 -4.846 1.00 0.34 N ATOM 314 CA GLN A 22 -15.719 4.429 -5.823 1.00 0.40 C ATOM 315 C GLN A 22 -14.811 5.625 -5.987 1.00 0.42 C ATOM 316 O GLN A 22 -13.729 5.515 -6.548 1.00 0.48 O ATOM 317 CB GLN A 22 -16.311 4.015 -7.158 1.00 0.51 C ATOM 318 CG GLN A 22 -16.376 2.513 -7.352 1.00 0.51 C ATOM 319 CD GLN A 22 -16.702 1.788 -6.069 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.677 1.520 -5.285 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.860 1.513 -5.765 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.677 4.928 -5.237 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.115 3.604 -5.447 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.316 4.428 -7.244 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -15.717 4.452 -7.961 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -17.130 2.277 -8.103 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.421 2.156 -7.737 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.622 1.739 -6.404 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -18.059 1.058 -4.874 1.00 0.38 H new ATOM 330 N SER A 23 -15.231 6.756 -5.467 1.00 0.41 N ATOM 331 CA SER A 23 -14.367 7.906 -5.419 1.00 0.47 C ATOM 332 C SER A 23 -13.477 7.760 -4.204 1.00 0.41 C ATOM 333 O SER A 23 -12.515 8.500 -4.009 1.00 0.49 O ATOM 334 CB SER A 23 -15.180 9.205 -5.362 1.00 0.52 C ATOM 335 OG SER A 23 -14.353 10.343 -5.554 1.00 1.36 O ATOM 0 H SER A 23 -16.161 6.901 -5.074 1.00 0.41 H new ATOM 0 HA SER A 23 -13.760 7.960 -6.322 1.00 0.47 H new ATOM 0 HB2 SER A 23 -15.956 9.184 -6.127 1.00 0.52 H new ATOM 0 HB3 SER A 23 -15.684 9.278 -4.398 1.00 0.52 H new ATOM 0 HG SER A 23 -13.478 10.185 -5.141 1.00 1.36 H new ATOM 341 N ASP A 24 -13.819 6.774 -3.396 1.00 0.31 N ATOM 342 CA ASP A 24 -13.056 6.427 -2.240 1.00 0.34 C ATOM 343 C ASP A 24 -12.165 5.253 -2.562 1.00 0.35 C ATOM 344 O ASP A 24 -10.982 5.230 -2.241 1.00 0.53 O ATOM 345 CB ASP A 24 -13.992 6.066 -1.104 1.00 0.36 C ATOM 346 CG ASP A 24 -14.790 7.259 -0.607 1.00 0.86 C ATOM 347 OD1 ASP A 24 -15.849 7.065 0.027 1.00 1.27 O ATOM 348 OD2 ASP A 24 -14.369 8.400 -0.851 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.645 6.193 -3.536 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.440 7.275 -1.940 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.678 5.287 -1.436 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.414 5.651 -0.279 1.00 0.36 H new ATOM 353 N VAL A 25 -12.761 4.293 -3.243 1.00 0.22 N ATOM 354 CA VAL A 25 -12.143 3.009 -3.464 1.00 0.20 C ATOM 355 C VAL A 25 -11.256 2.979 -4.689 1.00 0.22 C ATOM 356 O VAL A 25 -10.103 2.578 -4.608 1.00 0.23 O ATOM 357 CB VAL A 25 -13.200 1.905 -3.581 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.590 0.596 -4.048 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.890 1.716 -2.257 1.00 0.85 C ATOM 0 H VAL A 25 -13.688 4.386 -3.657 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.512 2.830 -2.594 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.930 2.214 -4.329 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.369 -0.163 -4.119 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.130 0.737 -5.026 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.832 0.273 -3.334 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.640 0.930 -2.346 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.157 1.433 -1.502 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.374 2.647 -1.963 1.00 0.85 H new ATOM 369 N ASP A 26 -11.811 3.377 -5.815 1.00 0.25 N ATOM 370 CA ASP A 26 -11.116 3.286 -7.091 1.00 0.27 C ATOM 371 C ASP A 26 -9.765 3.979 -7.031 1.00 0.23 C ATOM 372 O ASP A 26 -8.755 3.367 -7.322 1.00 0.22 O ATOM 373 CB ASP A 26 -11.957 3.876 -8.224 1.00 0.32 C ATOM 374 CG ASP A 26 -11.270 3.771 -9.571 1.00 0.39 C ATOM 375 OD1 ASP A 26 -11.315 2.684 -10.183 1.00 0.51 O ATOM 376 OD2 ASP A 26 -10.690 4.776 -10.031 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.750 3.771 -5.876 1.00 0.25 H new ATOM 0 HA ASP A 26 -10.954 2.228 -7.296 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -12.916 3.360 -8.267 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.168 4.923 -8.008 1.00 0.32 H new ATOM 381 N ASP A 27 -9.750 5.237 -6.603 1.00 0.22 N ATOM 382 CA ASP A 27 -8.512 6.009 -6.528 1.00 0.21 C ATOM 383 C ASP A 27 -7.601 5.418 -5.488 1.00 0.16 C ATOM 384 O ASP A 27 -6.385 5.404 -5.662 1.00 0.16 O ATOM 385 CB ASP A 27 -8.756 7.475 -6.163 1.00 0.24 C ATOM 386 CG ASP A 27 -9.397 8.273 -7.277 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.463 8.871 -7.048 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.841 8.285 -8.396 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.582 5.745 -6.302 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.060 5.968 -7.519 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.394 7.521 -5.280 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -7.806 7.938 -5.895 1.00 0.24 H new ATOM 393 N PHE A 28 -8.198 4.940 -4.402 1.00 0.13 N ATOM 394 CA PHE A 28 -7.445 4.251 -3.382 1.00 0.10 C ATOM 395 C PHE A 28 -6.709 3.122 -4.032 1.00 0.10 C ATOM 396 O PHE A 28 -5.498 3.129 -4.148 1.00 0.09 O ATOM 397 CB PHE A 28 -8.344 3.666 -2.290 1.00 0.09 C ATOM 398 CG PHE A 28 -7.572 2.809 -1.347 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.894 3.358 -0.276 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.581 1.445 -1.499 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.244 2.554 0.620 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.920 0.637 -0.614 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.039 1.255 0.339 1.00 0.08 C ATOM 0 H PHE A 28 -9.197 5.021 -4.213 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.772 4.970 -2.915 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.822 4.476 -1.739 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.140 3.079 -2.748 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -6.877 4.430 -0.145 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.116 1.004 -2.327 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.894 2.964 1.556 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -7.056 -0.434 -0.631 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.243 0.698 0.811 1.00 0.08 H new ATOM 413 N ASN A 29 -7.503 2.206 -4.528 1.00 0.12 N ATOM 414 CA ASN A 29 -7.027 0.964 -5.104 1.00 0.13 C ATOM 415 C ASN A 29 -6.143 1.219 -6.286 1.00 0.13 C ATOM 416 O ASN A 29 -5.269 0.428 -6.601 1.00 0.14 O ATOM 417 CB ASN A 29 -8.222 0.131 -5.538 1.00 0.19 C ATOM 418 CG ASN A 29 -8.783 -0.702 -4.412 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.453 -1.873 -4.259 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.621 -0.092 -3.603 1.00 0.23 N ATOM 0 H ASN A 29 -8.518 2.301 -4.545 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.445 0.432 -4.352 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -9.001 0.790 -5.921 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.926 -0.524 -6.358 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -10.023 -0.595 -2.812 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.869 0.884 -3.767 1.00 0.23 H new ATOM 427 N THR A 30 -6.356 2.339 -6.919 1.00 0.13 N ATOM 428 CA THR A 30 -5.647 2.654 -8.112 1.00 0.14 C ATOM 429 C THR A 30 -4.285 3.214 -7.793 1.00 0.12 C ATOM 430 O THR A 30 -3.284 2.799 -8.365 1.00 0.12 O ATOM 431 CB THR A 30 -6.424 3.657 -8.952 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.541 3.017 -9.581 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.531 4.297 -9.986 1.00 0.17 C ATOM 0 H THR A 30 -7.023 3.050 -6.619 1.00 0.13 H new ATOM 0 HA THR A 30 -5.527 1.731 -8.680 1.00 0.14 H new ATOM 0 HB THR A 30 -6.796 4.442 -8.293 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.324 3.076 -8.995 1.00 0.20 H new ATOM 0 HG21 THR A 30 -6.109 5.010 -10.574 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.712 4.816 -9.488 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.126 3.528 -10.644 1.00 0.17 H new ATOM 441 N LEU A 31 -4.259 4.144 -6.857 1.00 0.12 N ATOM 442 CA LEU A 31 -3.028 4.759 -6.448 1.00 0.12 C ATOM 443 C LEU A 31 -2.226 3.709 -5.730 1.00 0.11 C ATOM 444 O LEU A 31 -1.017 3.635 -5.839 1.00 0.12 O ATOM 445 CB LEU A 31 -3.326 5.942 -5.535 1.00 0.14 C ATOM 446 CG LEU A 31 -2.115 6.803 -5.169 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.380 7.262 -6.418 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.562 7.996 -4.354 1.00 0.53 C ATOM 0 H LEU A 31 -5.086 4.486 -6.368 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.467 5.137 -7.303 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.069 6.576 -6.019 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.776 5.567 -4.616 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.428 6.201 -4.574 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.523 7.872 -6.132 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.036 6.392 -6.978 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.053 7.851 -7.041 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -1.696 8.606 -4.096 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.265 8.592 -4.936 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.048 7.652 -3.441 1.00 0.53 H new ATOM 460 N TYR A 32 -2.971 2.863 -5.065 1.00 0.09 N ATOM 461 CA TYR A 32 -2.466 1.713 -4.351 1.00 0.07 C ATOM 462 C TYR A 32 -1.813 0.734 -5.305 1.00 0.08 C ATOM 463 O TYR A 32 -0.688 0.294 -5.092 1.00 0.08 O ATOM 464 CB TYR A 32 -3.662 1.089 -3.684 1.00 0.07 C ATOM 465 CG TYR A 32 -3.464 -0.289 -3.138 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.991 -0.487 -1.861 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.797 -1.394 -3.901 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.843 -1.754 -1.351 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.651 -2.663 -3.404 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.173 -2.845 -2.127 1.00 0.08 C ATOM 471 OH TYR A 32 -3.025 -4.122 -1.628 1.00 0.15 O ATOM 0 H TYR A 32 -3.985 2.958 -5.002 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.704 1.996 -3.624 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -3.979 1.739 -2.869 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.480 1.059 -4.404 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.732 0.366 -1.251 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.177 -1.255 -4.902 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.470 -1.895 -0.347 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.910 -3.517 -4.013 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.305 -4.772 -2.306 1.00 0.15 H new ATOM 481 N ASP A 33 -2.535 0.428 -6.372 1.00 0.10 N ATOM 482 CA ASP A 33 -2.058 -0.466 -7.410 1.00 0.11 C ATOM 483 C ASP A 33 -0.856 0.152 -8.066 1.00 0.09 C ATOM 484 O ASP A 33 0.007 -0.517 -8.627 1.00 0.11 O ATOM 485 CB ASP A 33 -3.134 -0.677 -8.471 1.00 0.16 C ATOM 486 CG ASP A 33 -3.821 -2.026 -8.355 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.530 -2.246 -7.352 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.671 -2.872 -9.268 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.471 0.795 -6.541 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.805 -1.426 -6.960 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.880 0.113 -8.387 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.685 -0.588 -9.460 1.00 0.16 H new ATOM 493 N ALA A 34 -0.841 1.455 -7.963 1.00 0.08 N ATOM 494 CA ALA A 34 0.138 2.293 -8.594 1.00 0.09 C ATOM 495 C ALA A 34 1.460 2.281 -7.852 1.00 0.08 C ATOM 496 O ALA A 34 2.520 2.408 -8.466 1.00 0.09 O ATOM 497 CB ALA A 34 -0.404 3.685 -8.639 1.00 0.10 C ATOM 0 H ALA A 34 -1.531 1.975 -7.421 1.00 0.08 H new ATOM 0 HA ALA A 34 0.331 1.914 -9.598 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.323 4.343 -9.115 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.332 3.696 -9.210 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.598 4.033 -7.624 1.00 0.10 H new ATOM 503 N PHE A 35 1.394 2.140 -6.525 1.00 0.06 N ATOM 504 CA PHE A 35 2.597 2.032 -5.712 1.00 0.06 C ATOM 505 C PHE A 35 3.347 0.814 -6.130 1.00 0.06 C ATOM 506 O PHE A 35 4.523 0.676 -5.877 1.00 0.08 O ATOM 507 CB PHE A 35 2.266 1.847 -4.249 1.00 0.05 C ATOM 508 CG PHE A 35 1.842 3.069 -3.541 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.699 3.717 -2.680 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.580 3.560 -3.728 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.293 4.848 -2.019 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.162 4.690 -3.080 1.00 0.06 C ATOM 513 CZ PHE A 35 1.023 5.341 -2.223 1.00 0.06 C ATOM 0 H PHE A 35 0.522 2.099 -5.998 1.00 0.06 H new ATOM 0 HA PHE A 35 3.171 2.949 -5.849 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.473 1.104 -4.164 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.141 1.439 -3.744 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.696 3.333 -2.524 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.097 3.049 -4.397 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.967 5.350 -1.341 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.837 5.070 -3.239 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.702 6.237 -1.712 1.00 0.06 H new ATOM 523 N TYR A 36 2.624 -0.090 -6.721 1.00 0.06 N ATOM 524 CA TYR A 36 3.200 -1.297 -7.209 1.00 0.06 C ATOM 525 C TYR A 36 3.564 -1.124 -8.651 1.00 0.08 C ATOM 526 O TYR A 36 2.750 -0.739 -9.490 1.00 0.11 O ATOM 527 CB TYR A 36 2.244 -2.457 -7.048 1.00 0.07 C ATOM 528 CG TYR A 36 1.834 -2.718 -5.629 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.714 -3.311 -4.743 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.561 -2.405 -5.186 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.333 -3.589 -3.447 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.172 -2.670 -3.893 1.00 0.08 C ATOM 533 CZ TYR A 36 1.058 -3.265 -3.028 1.00 0.07 C ATOM 534 OH TYR A 36 0.665 -3.546 -1.742 1.00 0.11 O ATOM 0 H TYR A 36 1.619 -0.007 -6.876 1.00 0.06 H new ATOM 0 HA TYR A 36 4.096 -1.518 -6.629 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.352 -2.264 -7.643 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.709 -3.356 -7.452 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.713 -3.560 -5.070 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.140 -1.945 -5.867 1.00 0.07 H new ATOM 0 HE1 TYR A 36 3.027 -4.057 -2.765 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.823 -2.412 -3.561 1.00 0.08 H new ATOM 0 HH TYR A 36 1.445 -3.526 -1.150 1.00 0.11 H new ATOM 544 N THR A 37 4.806 -1.400 -8.910 1.00 0.08 N ATOM 545 CA THR A 37 5.356 -1.290 -10.254 1.00 0.11 C ATOM 546 C THR A 37 4.644 -2.252 -11.198 1.00 0.14 C ATOM 547 O THR A 37 4.624 -2.068 -12.415 1.00 0.17 O ATOM 548 CB THR A 37 6.864 -1.597 -10.273 1.00 0.12 C ATOM 549 OG1 THR A 37 7.091 -3.013 -10.317 1.00 0.14 O ATOM 550 CG2 THR A 37 7.523 -1.053 -9.032 1.00 0.11 C ATOM 0 H THR A 37 5.477 -1.708 -8.207 1.00 0.08 H new ATOM 0 HA THR A 37 5.203 -0.263 -10.584 1.00 0.11 H new ATOM 0 HB THR A 37 7.288 -1.127 -11.161 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.055 -3.190 -10.330 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.589 -1.277 -9.058 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.380 0.027 -8.988 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.077 -1.515 -8.151 1.00 0.11 H new ATOM 558 N ASN A 38 4.060 -3.278 -10.603 1.00 0.15 N ATOM 559 CA ASN A 38 3.377 -4.330 -11.327 1.00 0.26 C ATOM 560 C ASN A 38 2.137 -4.728 -10.545 1.00 0.29 C ATOM 561 O ASN A 38 2.116 -4.613 -9.320 1.00 0.71 O ATOM 562 CB ASN A 38 4.315 -5.533 -11.505 1.00 0.38 C ATOM 563 CG ASN A 38 4.771 -6.145 -10.186 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.862 -5.470 -9.158 1.00 1.52 O ATOM 565 ND2 ASN A 38 5.072 -7.430 -10.208 1.00 0.99 N ATOM 0 H ASN A 38 4.048 -3.403 -9.591 1.00 0.15 H new ATOM 0 HA ASN A 38 3.084 -3.979 -12.316 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.807 -6.296 -12.095 1.00 0.38 H new ATOM 0 HB3 ASN A 38 5.191 -5.221 -12.074 1.00 0.38 H new ATOM 0 HD21 ASN A 38 5.391 -7.894 -9.357 1.00 0.99 H new ATOM 0 HD22 ASN A 38 4.986 -7.959 -11.076 1.00 0.99 H new ATOM 572 N SER A 39 1.106 -5.193 -11.235 1.00 0.33 N ATOM 573 CA SER A 39 -0.143 -5.535 -10.571 1.00 0.28 C ATOM 574 C SER A 39 -0.018 -6.841 -9.802 1.00 0.22 C ATOM 575 O SER A 39 -0.965 -7.283 -9.154 1.00 0.24 O ATOM 576 CB SER A 39 -1.293 -5.616 -11.565 1.00 0.35 C ATOM 577 OG SER A 39 -0.925 -6.357 -12.718 1.00 0.36 O ATOM 0 H SER A 39 1.108 -5.341 -12.244 1.00 0.33 H new ATOM 0 HA SER A 39 -0.361 -4.738 -9.860 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.156 -6.083 -11.090 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.596 -4.611 -11.857 1.00 0.35 H new ATOM 0 HG SER A 39 -1.683 -6.394 -13.338 1.00 0.36 H new ATOM 583 N ASN A 40 1.152 -7.461 -9.884 1.00 0.20 N ATOM 584 CA ASN A 40 1.465 -8.587 -9.021 1.00 0.20 C ATOM 585 C ASN A 40 1.736 -8.082 -7.617 1.00 0.16 C ATOM 586 O ASN A 40 1.683 -8.832 -6.644 1.00 0.18 O ATOM 587 CB ASN A 40 2.665 -9.372 -9.529 1.00 0.26 C ATOM 588 CG ASN A 40 2.417 -10.016 -10.877 1.00 0.43 C ATOM 589 OD1 ASN A 40 2.682 -9.420 -11.920 1.00 1.09 O ATOM 590 ND2 ASN A 40 1.906 -11.235 -10.865 1.00 1.15 N ATOM 0 H ASN A 40 1.894 -7.204 -10.535 1.00 0.20 H new ATOM 0 HA ASN A 40 0.609 -9.261 -9.019 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.525 -8.706 -9.602 1.00 0.26 H new ATOM 0 HB3 ASN A 40 2.921 -10.145 -8.804 1.00 0.26 H new ATOM 0 HD21 ASN A 40 1.717 -11.717 -11.744 1.00 1.15 H new ATOM 0 HD22 ASN A 40 1.701 -11.693 -9.977 1.00 1.15 H new ATOM 597 N LYS A 41 2.006 -6.770 -7.546 1.00 0.13 N ATOM 598 CA LYS A 41 2.194 -6.057 -6.299 1.00 0.11 C ATOM 599 C LYS A 41 3.268 -6.710 -5.470 1.00 0.11 C ATOM 600 O LYS A 41 3.175 -6.832 -4.253 1.00 0.12 O ATOM 601 CB LYS A 41 0.855 -5.950 -5.613 1.00 0.11 C ATOM 602 CG LYS A 41 -0.188 -5.470 -6.589 1.00 0.13 C ATOM 603 CD LYS A 41 -1.566 -5.659 -6.051 1.00 0.17 C ATOM 604 CE LYS A 41 -2.250 -4.340 -5.908 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.730 -4.480 -5.928 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.099 -6.177 -8.371 1.00 0.13 H new ATOM 0 HA LYS A 41 2.555 -5.043 -6.471 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.566 -6.920 -5.208 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.922 -5.260 -4.772 1.00 0.11 H new ATOM 0 HG2 LYS A 41 -0.024 -4.415 -6.810 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.085 -6.012 -7.529 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.139 -6.303 -6.718 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.521 -6.160 -5.084 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.942 -3.870 -4.974 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.937 -3.679 -6.716 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.162 -3.564 -6.166 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.002 -5.187 -6.640 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -4.062 -4.787 -4.991 1.00 0.66 H new ATOM 619 N THR A 42 4.306 -7.088 -6.190 1.00 0.11 N ATOM 620 CA THR A 42 5.474 -7.732 -5.642 1.00 0.12 C ATOM 621 C THR A 42 6.644 -6.765 -5.683 1.00 0.10 C ATOM 622 O THR A 42 7.763 -7.081 -5.279 1.00 0.13 O ATOM 623 CB THR A 42 5.791 -8.979 -6.464 1.00 0.16 C ATOM 624 OG1 THR A 42 5.957 -8.628 -7.846 1.00 0.18 O ATOM 625 CG2 THR A 42 4.656 -9.970 -6.324 1.00 0.21 C ATOM 0 H THR A 42 4.357 -6.950 -7.199 1.00 0.11 H new ATOM 0 HA THR A 42 5.290 -8.024 -4.608 1.00 0.12 H new ATOM 0 HB THR A 42 6.716 -9.425 -6.099 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.161 -9.433 -8.366 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.878 -10.862 -6.909 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.539 -10.244 -5.275 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.732 -9.519 -6.686 1.00 0.21 H new ATOM 633 N ALA A 43 6.342 -5.565 -6.150 1.00 0.09 N ATOM 634 CA ALA A 43 7.340 -4.549 -6.406 1.00 0.09 C ATOM 635 C ALA A 43 6.697 -3.178 -6.338 1.00 0.07 C ATOM 636 O ALA A 43 5.555 -3.004 -6.751 1.00 0.09 O ATOM 637 CB ALA A 43 7.964 -4.774 -7.764 1.00 0.10 C ATOM 0 H ALA A 43 5.389 -5.270 -6.363 1.00 0.09 H new ATOM 0 HA ALA A 43 8.123 -4.609 -5.650 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.715 -4.006 -7.951 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.436 -5.756 -7.789 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.192 -4.722 -8.532 1.00 0.10 H new ATOM 643 N LEU A 44 7.432 -2.216 -5.816 1.00 0.06 N ATOM 644 CA LEU A 44 6.889 -0.907 -5.536 1.00 0.06 C ATOM 645 C LEU A 44 7.637 0.246 -6.190 1.00 0.08 C ATOM 646 O LEU A 44 8.869 0.276 -6.251 1.00 0.09 O ATOM 647 CB LEU A 44 6.870 -0.726 -4.046 1.00 0.06 C ATOM 648 CG LEU A 44 5.837 -1.579 -3.355 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.478 -2.489 -2.346 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.877 -0.691 -2.672 1.00 0.05 C ATOM 0 H LEU A 44 8.418 -2.321 -5.576 1.00 0.06 H new ATOM 0 HA LEU A 44 5.889 -0.874 -5.968 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.855 -0.965 -3.645 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.678 0.322 -3.817 1.00 0.06 H new ATOM 0 HG LEU A 44 5.331 -2.196 -4.097 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.711 -3.093 -1.862 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.192 -3.142 -2.847 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.997 -1.892 -1.596 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.122 -1.292 -2.166 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.404 -0.080 -1.940 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.395 -0.044 -3.405 1.00 0.05 H new ATOM 662 N LYS A 45 6.843 1.197 -6.656 1.00 0.10 N ATOM 663 CA LYS A 45 7.307 2.409 -7.268 1.00 0.12 C ATOM 664 C LYS A 45 7.529 3.446 -6.221 1.00 0.12 C ATOM 665 O LYS A 45 6.685 3.684 -5.364 1.00 0.14 O ATOM 666 CB LYS A 45 6.284 2.946 -8.249 1.00 0.15 C ATOM 667 CG LYS A 45 6.492 2.484 -9.666 1.00 0.26 C ATOM 668 CD LYS A 45 7.819 2.950 -10.254 1.00 1.23 C ATOM 669 CE LYS A 45 7.794 4.435 -10.581 1.00 1.55 C ATOM 670 NZ LYS A 45 9.046 4.880 -11.247 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.826 1.134 -6.612 1.00 0.10 H new ATOM 0 HA LYS A 45 8.235 2.185 -7.794 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.289 2.644 -7.922 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.310 4.035 -8.226 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.449 1.395 -9.698 1.00 0.26 H new ATOM 0 HG3 LYS A 45 5.676 2.854 -10.287 1.00 0.26 H new ATOM 0 HD2 LYS A 45 8.623 2.746 -9.547 1.00 1.23 H new ATOM 0 HD3 LYS A 45 8.037 2.381 -11.158 1.00 1.23 H new ATOM 0 HE2 LYS A 45 6.943 4.649 -11.228 1.00 1.55 H new ATOM 0 HE3 LYS A 45 7.649 5.006 -9.664 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 8.987 5.898 -11.452 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 9.856 4.700 -10.620 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 9.172 4.354 -12.135 1.00 1.95 H new ATOM 684 N ASN A 46 8.634 4.096 -6.349 1.00 0.15 N ATOM 685 CA ASN A 46 9.099 4.993 -5.302 1.00 0.15 C ATOM 686 C ASN A 46 8.429 6.359 -5.365 1.00 0.14 C ATOM 687 O ASN A 46 8.247 7.012 -4.338 1.00 0.17 O ATOM 688 CB ASN A 46 10.610 5.138 -5.342 1.00 0.22 C ATOM 689 CG ASN A 46 11.229 4.605 -4.099 1.00 0.62 C ATOM 690 OD1 ASN A 46 11.401 3.324 -4.085 1.00 1.78 O flip ATOM 691 ND2 ASN A 46 11.517 5.333 -3.151 1.00 0.54 N flip ATOM 0 H ASN A 46 9.246 4.035 -7.163 1.00 0.15 H new ATOM 0 HA ASN A 46 8.815 4.539 -4.352 1.00 0.15 H new ATOM 0 HB2 ASN A 46 11.007 4.607 -6.207 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.875 6.188 -5.463 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.361 6.339 -3.215 1.00 0.54 H new ATOM 0 HD22 ASN A 46 11.912 4.931 -2.301 1.00 0.54 H new ATOM 698 N SER A 47 8.052 6.788 -6.563 1.00 0.14 N ATOM 699 CA SER A 47 7.364 8.066 -6.731 1.00 0.16 C ATOM 700 C SER A 47 5.995 8.030 -6.059 1.00 0.13 C ATOM 701 O SER A 47 5.441 9.064 -5.678 1.00 0.17 O ATOM 702 CB SER A 47 7.213 8.395 -8.218 1.00 0.21 C ATOM 703 OG SER A 47 8.475 8.435 -8.863 1.00 1.32 O ATOM 0 H SER A 47 8.209 6.274 -7.430 1.00 0.14 H new ATOM 0 HA SER A 47 7.962 8.844 -6.257 1.00 0.16 H new ATOM 0 HB2 SER A 47 6.580 7.648 -8.696 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.712 9.357 -8.332 1.00 0.21 H new ATOM 0 HG SER A 47 8.351 8.645 -9.812 1.00 1.32 H new ATOM 709 N GLN A 48 5.454 6.830 -5.906 1.00 0.10 N ATOM 710 CA GLN A 48 4.162 6.654 -5.294 1.00 0.10 C ATOM 711 C GLN A 48 4.215 6.867 -3.798 1.00 0.09 C ATOM 712 O GLN A 48 3.218 7.226 -3.194 1.00 0.10 O ATOM 713 CB GLN A 48 3.669 5.264 -5.614 1.00 0.13 C ATOM 714 CG GLN A 48 3.684 4.972 -7.101 1.00 0.15 C ATOM 715 CD GLN A 48 2.936 6.020 -7.901 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.633 5.870 -8.004 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 3.528 6.984 -8.390 1.00 0.49 N flip ATOM 0 H GLN A 48 5.901 5.962 -6.203 1.00 0.10 H new ATOM 0 HA GLN A 48 3.475 7.400 -5.694 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.291 4.533 -5.097 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.654 5.145 -5.234 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.716 4.921 -7.449 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.238 3.994 -7.281 1.00 0.15 H new ATOM 0 HE21 GLN A 48 4.540 7.066 -8.289 1.00 0.49 H new ATOM 0 HE22 GLN A 48 3.006 7.700 -8.895 1.00 0.49 H new ATOM 726 N PHE A 49 5.385 6.684 -3.212 1.00 0.09 N ATOM 727 CA PHE A 49 5.545 6.770 -1.767 1.00 0.09 C ATOM 728 C PHE A 49 5.074 8.112 -1.214 1.00 0.11 C ATOM 729 O PHE A 49 4.701 8.215 -0.048 1.00 0.13 O ATOM 730 CB PHE A 49 6.996 6.570 -1.359 1.00 0.09 C ATOM 731 CG PHE A 49 7.551 5.204 -1.611 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.721 4.839 -0.997 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.914 4.289 -2.427 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.259 3.596 -1.175 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.454 3.028 -2.621 1.00 0.11 C ATOM 736 CZ PHE A 49 8.629 2.682 -1.989 1.00 0.07 C ATOM 0 H PHE A 49 6.246 6.473 -3.717 1.00 0.09 H new ATOM 0 HA PHE A 49 4.927 5.975 -1.350 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.609 7.297 -1.892 1.00 0.09 H new ATOM 0 HB3 PHE A 49 7.091 6.792 -0.296 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.228 5.548 -0.360 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.990 4.558 -2.916 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.180 3.330 -0.677 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.956 2.319 -3.265 1.00 0.11 H new ATOM 0 HZ PHE A 49 9.053 1.699 -2.132 1.00 0.07 H new ATOM 746 N ASP A 50 5.078 9.134 -2.055 1.00 0.11 N ATOM 747 CA ASP A 50 4.706 10.473 -1.621 1.00 0.15 C ATOM 748 C ASP A 50 3.197 10.553 -1.503 1.00 0.15 C ATOM 749 O ASP A 50 2.639 11.409 -0.817 1.00 0.20 O ATOM 750 CB ASP A 50 5.216 11.512 -2.617 1.00 0.19 C ATOM 751 CG ASP A 50 5.089 12.929 -2.092 1.00 0.29 C ATOM 752 OD1 ASP A 50 4.094 13.605 -2.427 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.984 13.369 -1.341 1.00 0.36 O1- ATOM 0 H ASP A 50 5.334 9.063 -3.040 1.00 0.11 H new ATOM 0 HA ASP A 50 5.158 10.680 -0.651 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.261 11.306 -2.849 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.658 11.422 -3.549 1.00 0.19 H new ATOM 758 N LYS A 51 2.549 9.623 -2.177 1.00 0.11 N ATOM 759 CA LYS A 51 1.112 9.501 -2.153 1.00 0.11 C ATOM 760 C LYS A 51 0.694 8.449 -1.154 1.00 0.10 C ATOM 761 O LYS A 51 -0.441 8.025 -1.161 1.00 0.11 O ATOM 762 CB LYS A 51 0.596 9.106 -3.517 1.00 0.13 C ATOM 763 CG LYS A 51 1.600 9.263 -4.614 1.00 0.14 C ATOM 764 CD LYS A 51 1.030 10.042 -5.752 1.00 0.49 C ATOM 765 CE LYS A 51 2.013 10.109 -6.898 1.00 0.45 C ATOM 766 NZ LYS A 51 3.216 10.925 -6.573 1.00 1.47 N1+ ATOM 0 H LYS A 51 3.013 8.927 -2.760 1.00 0.11 H new ATOM 0 HA LYS A 51 0.694 10.467 -1.868 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.268 8.067 -3.484 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.281 9.709 -3.751 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.487 9.768 -4.231 1.00 0.14 H new ATOM 0 HG3 LYS A 51 1.918 8.281 -4.964 1.00 0.14 H new ATOM 0 HD2 LYS A 51 0.103 9.578 -6.088 1.00 0.49 H new ATOM 0 HD3 LYS A 51 0.781 11.050 -5.421 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.325 9.099 -7.164 1.00 0.45 H new ATOM 0 HE3 LYS A 51 1.518 10.531 -7.773 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 3.523 11.443 -7.421 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 2.983 11.602 -5.819 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 3.983 10.300 -6.252 1.00 1.47 H new ATOM 780 N LEU A 52 1.618 7.964 -0.348 1.00 0.09 N ATOM 781 CA LEU A 52 1.263 7.001 0.676 1.00 0.08 C ATOM 782 C LEU A 52 0.352 7.642 1.716 1.00 0.09 C ATOM 783 O LEU A 52 -0.615 7.032 2.166 1.00 0.09 O ATOM 784 CB LEU A 52 2.508 6.435 1.333 1.00 0.08 C ATOM 785 CG LEU A 52 2.359 5.046 1.918 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.465 5.115 3.413 1.00 0.07 C ATOM 787 CD2 LEU A 52 1.056 4.383 1.487 1.00 0.08 C ATOM 0 H LEU A 52 2.606 8.216 -0.380 1.00 0.09 H new ATOM 0 HA LEU A 52 0.724 6.180 0.204 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.311 6.416 0.596 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.820 7.114 2.127 1.00 0.08 H new ATOM 0 HG LEU A 52 3.167 4.424 1.532 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.357 4.114 3.832 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.437 5.522 3.690 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.677 5.759 3.804 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.990 3.389 1.929 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.212 4.986 1.823 1.00 0.08 H new ATOM 0 HD23 LEU A 52 1.032 4.299 0.400 1.00 0.08 H new ATOM 799 N SER A 53 0.649 8.879 2.079 1.00 0.10 N ATOM 800 CA SER A 53 -0.238 9.646 2.939 1.00 0.11 C ATOM 801 C SER A 53 -1.529 9.946 2.181 1.00 0.11 C ATOM 802 O SER A 53 -2.573 10.221 2.771 1.00 0.13 O ATOM 803 CB SER A 53 0.446 10.940 3.390 1.00 0.14 C ATOM 804 OG SER A 53 -0.347 11.642 4.334 1.00 1.25 O ATOM 0 H SER A 53 1.495 9.372 1.793 1.00 0.10 H new ATOM 0 HA SER A 53 -0.475 9.068 3.832 1.00 0.11 H new ATOM 0 HB2 SER A 53 1.416 10.707 3.829 1.00 0.14 H new ATOM 0 HB3 SER A 53 0.632 11.576 2.524 1.00 0.14 H new ATOM 0 HG SER A 53 0.116 12.462 4.604 1.00 1.25 H new ATOM 810 N GLN A 54 -1.445 9.860 0.861 1.00 0.10 N ATOM 811 CA GLN A 54 -2.585 10.014 -0.004 1.00 0.11 C ATOM 812 C GLN A 54 -3.377 8.713 -0.068 1.00 0.09 C ATOM 813 O GLN A 54 -4.590 8.715 -0.108 1.00 0.10 O ATOM 814 CB GLN A 54 -2.123 10.408 -1.384 1.00 0.12 C ATOM 815 CG GLN A 54 -3.251 10.628 -2.356 1.00 0.17 C ATOM 816 CD GLN A 54 -3.245 12.007 -2.967 1.00 0.69 C ATOM 817 OE1 GLN A 54 -3.787 12.956 -2.403 1.00 1.24 O ATOM 818 NE2 GLN A 54 -2.673 12.114 -4.146 1.00 0.70 N ATOM 0 H GLN A 54 -0.572 9.680 0.365 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.232 10.795 0.394 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.532 11.321 -1.313 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.465 9.631 -1.773 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.188 9.885 -3.151 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.200 10.468 -1.844 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.235 11.299 -4.576 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -2.667 13.012 -4.630 1.00 0.70 H new ATOM 827 N LEU A 55 -2.659 7.605 -0.072 1.00 0.08 N ATOM 828 CA LEU A 55 -3.234 6.285 -0.014 1.00 0.07 C ATOM 829 C LEU A 55 -3.887 6.116 1.335 1.00 0.07 C ATOM 830 O LEU A 55 -4.865 5.392 1.493 1.00 0.08 O ATOM 831 CB LEU A 55 -2.116 5.271 -0.223 1.00 0.06 C ATOM 832 CG LEU A 55 -2.448 4.081 -1.112 1.00 0.06 C ATOM 833 CD1 LEU A 55 -2.940 2.916 -0.276 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.483 4.463 -2.160 1.00 0.10 C ATOM 0 H LEU A 55 -1.640 7.604 -0.117 1.00 0.08 H new ATOM 0 HA LEU A 55 -3.988 6.136 -0.787 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.258 5.790 -0.651 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.807 4.895 0.752 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.538 3.775 -1.629 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.173 2.074 -0.927 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.165 2.624 0.432 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.836 3.212 0.269 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.705 3.598 -2.784 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.395 4.798 -1.666 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -3.091 5.268 -2.782 1.00 0.10 H new ATOM 846 N LYS A 56 -3.347 6.840 2.299 1.00 0.07 N ATOM 847 CA LYS A 56 -3.929 6.901 3.617 1.00 0.08 C ATOM 848 C LYS A 56 -5.124 7.816 3.573 1.00 0.09 C ATOM 849 O LYS A 56 -6.085 7.645 4.299 1.00 0.12 O ATOM 850 CB LYS A 56 -2.917 7.421 4.636 1.00 0.10 C ATOM 851 CG LYS A 56 -3.357 7.244 6.080 1.00 0.11 C ATOM 852 CD LYS A 56 -4.420 6.166 6.205 1.00 0.11 C ATOM 853 CE LYS A 56 -4.774 5.886 7.650 1.00 0.20 C ATOM 854 NZ LYS A 56 -5.383 7.074 8.308 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.499 7.396 2.187 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.230 5.899 3.922 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -1.968 6.905 4.489 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.736 8.479 4.448 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.496 6.982 6.695 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.746 8.188 6.462 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.315 6.475 5.665 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.064 5.249 5.734 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.468 5.047 7.699 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.877 5.589 8.193 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -5.869 6.778 9.179 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -4.638 7.760 8.543 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -6.069 7.515 7.662 1.00 0.82 H new ATOM 868 N THR A 57 -5.045 8.775 2.689 1.00 0.09 N ATOM 869 CA THR A 57 -6.100 9.721 2.480 1.00 0.10 C ATOM 870 C THR A 57 -7.273 9.040 1.805 1.00 0.09 C ATOM 871 O THR A 57 -8.422 9.299 2.126 1.00 0.11 O ATOM 872 CB THR A 57 -5.587 10.896 1.637 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.547 12.099 2.412 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.408 11.100 0.387 1.00 0.12 C ATOM 0 H THR A 57 -4.234 8.920 2.088 1.00 0.09 H new ATOM 0 HA THR A 57 -6.436 10.111 3.441 1.00 0.10 H new ATOM 0 HB THR A 57 -4.573 10.646 1.324 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.216 12.835 1.856 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.008 11.942 -0.178 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.367 10.200 -0.226 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.443 11.306 0.661 1.00 0.12 H new ATOM 882 N LEU A 58 -6.957 8.172 0.867 1.00 0.09 N ATOM 883 CA LEU A 58 -7.936 7.403 0.156 1.00 0.09 C ATOM 884 C LEU A 58 -8.520 6.335 1.042 1.00 0.09 C ATOM 885 O LEU A 58 -9.712 6.098 1.030 1.00 0.12 O ATOM 886 CB LEU A 58 -7.247 6.830 -1.049 1.00 0.11 C ATOM 887 CG LEU A 58 -6.726 7.904 -1.977 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.543 7.390 -2.768 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.846 8.397 -2.875 1.00 0.16 C ATOM 0 H LEU A 58 -5.997 7.984 0.579 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.777 8.021 -0.158 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.419 6.199 -0.726 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -7.942 6.190 -1.592 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.374 8.753 -1.391 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.180 8.175 -3.431 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.747 7.097 -2.083 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.848 6.527 -3.360 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.464 9.171 -3.541 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.231 7.566 -3.466 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.649 8.809 -2.263 1.00 0.16 H new ATOM 901 N LEU A 59 -7.674 5.708 1.823 1.00 0.07 N ATOM 902 CA LEU A 59 -8.132 4.824 2.877 1.00 0.07 C ATOM 903 C LEU A 59 -8.953 5.629 3.878 1.00 0.09 C ATOM 904 O LEU A 59 -9.934 5.154 4.416 1.00 0.11 O ATOM 905 CB LEU A 59 -6.923 4.203 3.565 1.00 0.07 C ATOM 906 CG LEU A 59 -7.171 2.873 4.264 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.199 3.057 5.745 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.474 2.267 3.830 1.00 0.08 C ATOM 0 H LEU A 59 -6.660 5.792 1.751 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.753 4.030 2.462 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.138 4.061 2.822 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.542 4.913 4.299 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.355 2.205 3.989 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.377 2.096 6.228 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.243 3.459 6.080 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.997 3.750 6.011 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.624 1.318 4.346 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.291 2.946 4.075 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.455 2.096 2.754 1.00 0.08 H new ATOM 920 N ASP A 60 -8.532 6.853 4.112 1.00 0.09 N ATOM 921 CA ASP A 60 -9.289 7.808 4.912 1.00 0.11 C ATOM 922 C ASP A 60 -10.613 8.112 4.246 1.00 0.12 C ATOM 923 O ASP A 60 -11.555 8.585 4.876 1.00 0.16 O ATOM 924 CB ASP A 60 -8.501 9.108 5.068 1.00 0.17 C ATOM 925 CG ASP A 60 -8.168 9.439 6.509 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.314 8.746 7.098 1.00 0.66 O ATOM 927 OD2 ASP A 60 -8.771 10.385 7.066 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.651 7.221 3.753 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.466 7.369 5.894 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.576 9.035 4.496 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.077 9.927 4.638 1.00 0.17 H new ATOM 932 N LYS A 61 -10.661 7.860 2.955 1.00 0.12 N ATOM 933 CA LYS A 61 -11.879 7.992 2.201 1.00 0.14 C ATOM 934 C LYS A 61 -12.713 6.741 2.349 1.00 0.12 C ATOM 935 O LYS A 61 -13.925 6.746 2.182 1.00 0.17 O ATOM 936 CB LYS A 61 -11.556 8.272 0.745 1.00 0.19 C ATOM 937 CG LYS A 61 -10.808 9.560 0.583 1.00 0.25 C ATOM 938 CD LYS A 61 -10.910 10.111 -0.829 1.00 0.39 C ATOM 939 CE LYS A 61 -10.096 11.383 -0.986 1.00 1.20 C ATOM 940 NZ LYS A 61 -10.202 11.951 -2.355 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.857 7.559 2.405 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.458 8.831 2.586 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -10.962 7.453 0.339 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.480 8.312 0.168 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.198 10.295 1.287 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.759 9.403 0.835 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.559 9.363 -1.540 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -11.954 10.313 -1.068 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -10.436 12.122 -0.260 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -9.050 11.173 -0.761 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -9.631 12.818 -2.416 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -9.853 11.257 -3.047 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -11.196 12.176 -2.561 1.00 1.92 H new ATOM 954 N LEU A 62 -12.039 5.689 2.737 1.00 0.10 N ATOM 955 CA LEU A 62 -12.684 4.411 2.982 1.00 0.11 C ATOM 956 C LEU A 62 -13.155 4.409 4.395 1.00 0.12 C ATOM 957 O LEU A 62 -14.020 3.636 4.792 1.00 0.14 O ATOM 958 CB LEU A 62 -11.740 3.226 2.763 1.00 0.11 C ATOM 959 CG LEU A 62 -11.571 2.775 1.319 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.778 3.182 0.526 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.320 3.338 0.696 1.00 0.11 C ATOM 0 H LEU A 62 -11.031 5.687 2.893 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.508 4.295 2.277 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.759 3.488 3.160 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.105 2.382 3.348 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.473 1.689 1.311 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.659 2.860 -0.509 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.667 2.716 0.951 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.886 4.266 0.558 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.239 2.991 -0.334 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.365 4.427 0.710 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.450 3.004 1.261 1.00 0.11 H new ATOM 973 N GLU A 63 -12.503 5.255 5.159 1.00 0.11 N ATOM 974 CA GLU A 63 -12.867 5.499 6.523 1.00 0.14 C ATOM 975 C GLU A 63 -14.346 5.758 6.665 1.00 0.16 C ATOM 976 O GLU A 63 -14.901 6.652 6.020 1.00 0.20 O ATOM 977 CB GLU A 63 -12.116 6.681 7.070 1.00 0.16 C ATOM 978 CG GLU A 63 -10.840 6.322 7.792 1.00 0.17 C ATOM 979 CD GLU A 63 -10.434 7.362 8.811 1.00 0.85 C ATOM 980 OE1 GLU A 63 -11.092 8.419 8.881 1.00 1.29 O ATOM 981 OE2 GLU A 63 -9.434 7.140 9.523 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.698 5.795 4.842 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.608 4.602 7.086 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.878 7.358 6.249 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.767 7.226 7.754 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -10.967 5.361 8.291 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -10.038 6.200 7.064 1.00 0.17 H new ATOM 988 N GLY A 64 -14.973 4.983 7.516 1.00 0.18 N ATOM 989 CA GLY A 64 -16.384 5.107 7.703 1.00 0.20 C ATOM 990 C GLY A 64 -17.132 4.065 6.919 1.00 0.20 C ATOM 991 O GLY A 64 -18.326 3.865 7.128 1.00 0.26 O ATOM 0 H GLY A 64 -14.524 4.265 8.084 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.623 5.009 8.762 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.708 6.101 7.393 1.00 0.20 H new ATOM 995 N SER A 65 -16.431 3.405 6.000 1.00 0.16 N ATOM 996 CA SER A 65 -17.033 2.340 5.218 1.00 0.16 C ATOM 997 C SER A 65 -16.439 0.997 5.618 1.00 0.18 C ATOM 998 O SER A 65 -15.588 0.925 6.508 1.00 0.25 O ATOM 999 CB SER A 65 -16.824 2.587 3.731 1.00 0.19 C ATOM 1000 OG SER A 65 -16.607 3.961 3.459 1.00 0.27 O ATOM 0 H SER A 65 -15.452 3.591 5.783 1.00 0.16 H new ATOM 0 HA SER A 65 -18.104 2.325 5.418 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.971 2.006 3.381 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.696 2.238 3.177 1.00 0.19 H new ATOM 0 HG SER A 65 -15.706 4.214 3.751 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.869 -0.056 4.947 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.356 -1.389 5.215 1.00 0.22 C ATOM 1008 C ARG A 66 -15.090 -1.632 4.424 1.00 0.21 C ATOM 1009 O ARG A 66 -14.218 -2.401 4.835 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.383 -2.435 4.843 1.00 0.26 C ATOM 1011 CG ARG A 66 -17.294 -2.893 3.407 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.443 -3.809 3.058 1.00 0.47 C ATOM 1013 NE ARG A 66 -18.259 -4.476 1.772 1.00 1.46 N ATOM 1014 CZ ARG A 66 -19.240 -5.081 1.099 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -20.477 -5.088 1.586 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -18.985 -5.677 -0.060 1.00 3.05 N ATOM 0 H ARG A 66 -17.574 -0.015 4.211 1.00 0.21 H new ATOM 0 HA ARG A 66 -16.138 -1.462 6.281 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -17.263 -3.298 5.498 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.380 -2.033 5.025 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -17.300 -2.027 2.745 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -16.349 -3.411 3.245 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -18.554 -4.560 3.840 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -19.368 -3.233 3.035 1.00 0.47 H new ATOM 0 HE ARG A 66 -17.324 -4.480 1.363 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -20.678 -4.631 2.475 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -21.226 -5.551 1.070 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -18.038 -5.673 -0.438 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -19.737 -6.139 -0.572 1.00 3.05 H new ATOM 1030 N GLU A 67 -15.008 -0.965 3.283 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.867 -1.093 2.397 1.00 0.18 C ATOM 1032 C GLU A 67 -12.634 -0.750 3.150 1.00 0.15 C ATOM 1033 O GLU A 67 -11.602 -1.366 2.991 1.00 0.14 O ATOM 1034 CB GLU A 67 -13.989 -0.161 1.219 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.423 -0.847 -0.037 1.00 0.33 C ATOM 1036 CD GLU A 67 -13.383 -1.782 -0.614 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -13.471 -2.998 -0.352 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -12.490 -1.309 -1.345 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.727 -0.324 2.949 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.826 -2.118 2.029 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -14.703 0.626 1.460 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.028 0.323 1.047 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -15.333 -1.412 0.165 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.674 -0.093 -0.783 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.798 0.243 3.989 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.761 0.720 4.874 1.00 0.13 C ATOM 1047 C HIS A 68 -10.961 -0.391 5.471 1.00 0.14 C ATOM 1048 O HIS A 68 -9.774 -0.302 5.546 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.359 1.475 6.019 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.322 2.227 6.748 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.590 3.251 6.326 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.867 1.923 8.002 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.704 3.562 7.303 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.885 2.744 8.301 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.676 0.755 4.078 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.116 1.351 4.262 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.121 2.162 5.650 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.857 0.782 6.697 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.679 3.721 5.425 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.250 1.140 8.639 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.971 4.354 7.261 1.00 0.17 H new ATOM 1063 N THR A 69 -11.634 -1.394 5.937 1.00 0.15 N ATOM 1064 CA THR A 69 -10.987 -2.541 6.541 1.00 0.16 C ATOM 1065 C THR A 69 -10.012 -3.181 5.585 1.00 0.15 C ATOM 1066 O THR A 69 -8.826 -3.349 5.857 1.00 0.15 O ATOM 1067 CB THR A 69 -12.032 -3.584 6.842 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.952 -3.122 7.839 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.381 -4.883 7.252 1.00 0.21 C ATOM 0 H THR A 69 -12.652 -1.452 5.915 1.00 0.15 H new ATOM 0 HA THR A 69 -10.468 -2.199 7.436 1.00 0.16 H new ATOM 0 HB THR A 69 -12.604 -3.767 5.932 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.620 -3.817 8.014 1.00 0.22 H new ATOM 0 HG21 THR A 69 -12.151 -5.624 7.465 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.745 -5.243 6.443 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.776 -4.721 8.144 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.570 -3.489 4.454 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.935 -4.206 3.396 1.00 0.16 C ATOM 1079 C LEU A 70 -8.831 -3.363 2.897 1.00 0.13 C ATOM 1080 O LEU A 70 -7.697 -3.784 2.744 1.00 0.12 O ATOM 1081 CB LEU A 70 -11.021 -4.467 2.332 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.592 -4.719 0.885 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.412 -3.406 0.136 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.340 -5.576 0.837 1.00 0.21 C ATOM 0 H LEU A 70 -11.532 -3.232 4.235 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.511 -5.163 3.699 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.602 -5.329 2.659 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.695 -3.610 2.332 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.384 -5.272 0.380 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.107 -3.611 -0.890 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.354 -2.857 0.132 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.646 -2.808 0.629 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.053 -5.743 -0.201 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.530 -5.067 1.360 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.537 -6.534 1.317 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.192 -2.148 2.759 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.381 -1.169 2.161 1.00 0.09 C ATOM 1098 C ALA A 71 -7.369 -0.631 3.142 1.00 0.07 C ATOM 1099 O ALA A 71 -6.369 -0.091 2.751 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.284 -0.098 1.636 1.00 0.10 C ATOM 0 H ALA A 71 -10.096 -1.796 3.072 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.804 -1.594 1.340 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.687 0.682 1.163 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.968 -0.526 0.903 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.856 0.331 2.459 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.638 -0.779 4.419 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.686 -0.475 5.434 1.00 0.09 C ATOM 1108 C LYS A 72 -5.719 -1.587 5.443 1.00 0.10 C ATOM 1109 O LYS A 72 -4.536 -1.413 5.653 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.355 -0.397 6.773 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.408 0.002 7.854 1.00 0.14 C ATOM 1112 CD LYS A 72 -7.094 0.893 8.848 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.402 0.860 10.201 1.00 0.22 C ATOM 1114 NZ LYS A 72 -7.049 1.760 11.188 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.533 -1.117 4.773 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.206 0.484 5.238 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.174 0.321 6.727 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.793 -1.365 7.015 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -6.024 -0.886 8.356 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.551 0.520 7.423 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -7.109 1.916 8.471 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -8.132 0.580 8.962 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -6.408 -0.160 10.585 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -5.358 1.149 10.080 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -6.542 1.703 12.094 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -7.021 2.738 10.836 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -8.038 1.470 11.326 1.00 1.35 H new ATOM 1128 N SER A 73 -6.253 -2.748 5.176 1.00 0.10 N ATOM 1129 CA SER A 73 -5.426 -3.908 5.103 1.00 0.12 C ATOM 1130 C SER A 73 -4.644 -3.904 3.796 1.00 0.11 C ATOM 1131 O SER A 73 -3.654 -4.613 3.654 1.00 0.13 O ATOM 1132 CB SER A 73 -6.247 -5.189 5.255 1.00 0.16 C ATOM 1133 OG SER A 73 -6.965 -5.192 6.479 1.00 1.18 O ATOM 0 H SER A 73 -7.246 -2.909 5.008 1.00 0.10 H new ATOM 0 HA SER A 73 -4.719 -3.882 5.932 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.943 -5.280 4.421 1.00 0.16 H new ATOM 0 HB3 SER A 73 -5.586 -6.055 5.215 1.00 0.16 H new ATOM 0 HG SER A 73 -7.705 -4.552 6.426 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.111 -3.109 2.835 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.375 -2.855 1.626 1.00 0.08 C ATOM 1141 C LYS A 74 -3.395 -1.756 1.859 1.00 0.06 C ATOM 1142 O LYS A 74 -2.204 -1.889 1.621 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.324 -2.439 0.546 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.337 -3.491 0.272 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.348 -2.989 -0.685 1.00 0.12 C ATOM 1146 CE LYS A 74 -7.035 -3.520 -2.036 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.415 -4.949 -2.199 1.00 1.02 N1+ ATOM 0 H LYS A 74 -6.010 -2.630 2.885 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.847 -3.761 1.328 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.826 -1.517 0.838 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.767 -2.224 -0.366 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.850 -4.378 -0.134 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.822 -3.790 1.201 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.346 -3.302 -0.378 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.346 -1.899 -0.698 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -7.556 -2.923 -2.785 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -5.967 -3.409 -2.226 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -6.841 -5.377 -2.953 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.249 -5.456 -1.307 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -8.422 -5.014 -2.452 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.942 -0.673 2.334 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.201 0.506 2.638 1.00 0.04 C ATOM 1163 C TYR A 75 -2.031 0.186 3.537 1.00 0.05 C ATOM 1164 O TYR A 75 -0.900 0.459 3.195 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.092 1.513 3.349 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.263 2.502 4.121 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.145 2.401 5.499 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.669 3.575 3.481 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.457 3.342 6.230 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.964 4.522 4.198 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.610 4.242 5.512 1.00 0.08 C ATOM 1172 OH TYR A 75 -1.183 5.369 6.290 1.00 0.25 O ATOM 0 H TYR A 75 -4.941 -0.589 2.523 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.836 0.923 1.699 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.709 2.038 2.620 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.770 0.993 4.025 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.603 1.566 6.009 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.757 3.673 2.409 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.553 3.398 7.304 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.693 5.464 3.745 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.432 5.811 5.841 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.329 -0.421 4.675 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.355 -0.610 5.734 1.00 0.08 C ATOM 1184 C ASP A 76 -0.272 -1.505 5.214 1.00 0.09 C ATOM 1185 O ASP A 76 0.902 -1.384 5.536 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.986 -1.292 6.941 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.564 -0.677 8.261 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -2.306 0.185 8.778 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.480 -1.027 8.774 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.253 -0.796 4.889 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.969 0.363 6.037 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -3.071 -1.240 6.854 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.716 -2.348 6.936 1.00 0.13 H new ATOM 1194 N SER A 77 -0.731 -2.391 4.371 1.00 0.07 N ATOM 1195 CA SER A 77 0.075 -3.376 3.719 1.00 0.07 C ATOM 1196 C SER A 77 1.050 -2.673 2.810 1.00 0.06 C ATOM 1197 O SER A 77 2.269 -2.766 2.957 1.00 0.06 O ATOM 1198 CB SER A 77 -0.884 -4.254 2.916 1.00 0.08 C ATOM 1199 OG SER A 77 -0.228 -5.188 2.095 1.00 0.10 O ATOM 0 H SER A 77 -1.716 -2.444 4.113 1.00 0.07 H new ATOM 0 HA SER A 77 0.644 -3.983 4.423 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.542 -4.785 3.604 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.516 -3.618 2.297 1.00 0.08 H new ATOM 0 HG SER A 77 -0.892 -5.720 1.609 1.00 0.10 H new ATOM 1205 N LEU A 78 0.468 -1.892 1.937 1.00 0.04 N ATOM 1206 CA LEU A 78 1.153 -1.190 0.899 1.00 0.04 C ATOM 1207 C LEU A 78 2.073 -0.151 1.520 1.00 0.04 C ATOM 1208 O LEU A 78 3.203 0.072 1.088 1.00 0.04 O ATOM 1209 CB LEU A 78 0.052 -0.561 0.066 1.00 0.03 C ATOM 1210 CG LEU A 78 0.465 0.130 -1.212 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.511 1.604 -0.948 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.809 -0.373 -1.687 1.00 0.04 C ATOM 0 H LEU A 78 -0.538 -1.725 1.936 1.00 0.04 H new ATOM 0 HA LEU A 78 1.785 -1.828 0.282 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.667 -1.340 -0.188 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.471 0.165 0.689 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.255 -0.086 -2.001 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.807 2.127 -1.857 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.475 1.949 -0.636 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.234 1.810 -0.159 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.084 0.140 -2.609 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.562 -0.176 -0.924 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.751 -1.446 -1.872 1.00 0.04 H new ATOM 1224 N ALA A 79 1.567 0.424 2.580 1.00 0.04 N ATOM 1225 CA ALA A 79 2.244 1.435 3.347 1.00 0.04 C ATOM 1226 C ALA A 79 3.456 0.860 3.992 1.00 0.05 C ATOM 1227 O ALA A 79 4.481 1.503 4.074 1.00 0.07 O ATOM 1228 CB ALA A 79 1.282 1.993 4.389 1.00 0.05 C ATOM 0 H ALA A 79 0.643 0.193 2.944 1.00 0.04 H new ATOM 0 HA ALA A 79 2.566 2.245 2.693 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.786 2.761 4.976 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.417 2.428 3.889 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.954 1.190 5.048 1.00 0.05 H new ATOM 1234 N THR A 80 3.343 -0.365 4.394 1.00 0.05 N ATOM 1235 CA THR A 80 4.433 -1.050 5.015 1.00 0.05 C ATOM 1236 C THR A 80 5.469 -1.448 3.985 1.00 0.05 C ATOM 1237 O THR A 80 6.655 -1.375 4.244 1.00 0.05 O ATOM 1238 CB THR A 80 3.921 -2.293 5.702 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.053 -1.936 6.788 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.075 -3.136 6.211 1.00 0.07 C ATOM 0 H THR A 80 2.492 -0.920 4.301 1.00 0.05 H new ATOM 0 HA THR A 80 4.893 -0.381 5.742 1.00 0.05 H new ATOM 0 HB THR A 80 3.358 -2.881 4.977 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.124 -1.928 6.475 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.685 -4.027 6.703 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.707 -3.431 5.374 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.663 -2.556 6.923 1.00 0.07 H new ATOM 1248 N GLN A 81 5.012 -1.851 2.811 1.00 0.05 N ATOM 1249 CA GLN A 81 5.857 -2.303 1.777 1.00 0.05 C ATOM 1250 C GLN A 81 6.672 -1.179 1.286 1.00 0.05 C ATOM 1251 O GLN A 81 7.857 -1.327 1.022 1.00 0.05 O ATOM 1252 CB GLN A 81 4.984 -2.881 0.696 1.00 0.05 C ATOM 1253 CG GLN A 81 4.349 -4.129 1.219 1.00 0.05 C ATOM 1254 CD GLN A 81 3.092 -4.536 0.545 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.898 -4.366 -0.652 1.00 0.09 O ATOM 1256 NE2 GLN A 81 2.220 -5.049 1.366 1.00 0.07 N ATOM 0 H GLN A 81 4.021 -1.864 2.569 1.00 0.05 H new ATOM 0 HA GLN A 81 6.545 -3.072 2.127 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.220 -2.162 0.401 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.576 -3.100 -0.193 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.067 -4.945 1.134 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.144 -3.994 2.281 1.00 0.05 H new ATOM 0 HE21 GLN A 81 2.453 -5.160 2.353 1.00 0.07 H new ATOM 0 HE22 GLN A 81 1.305 -5.339 1.022 1.00 0.07 H new ATOM 1265 N ILE A 82 6.052 -0.031 1.198 1.00 0.04 N ATOM 1266 CA ILE A 82 6.814 1.105 0.847 1.00 0.04 C ATOM 1267 C ILE A 82 7.626 1.564 2.052 1.00 0.05 C ATOM 1268 O ILE A 82 8.801 1.791 1.917 1.00 0.05 O ATOM 1269 CB ILE A 82 6.002 2.294 0.266 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.241 3.047 1.317 1.00 0.05 C ATOM 1271 CG2 ILE A 82 5.034 1.881 -0.812 1.00 0.05 C ATOM 1272 CD1 ILE A 82 5.983 4.263 1.781 1.00 0.06 C ATOM 0 H ILE A 82 5.057 0.126 1.361 1.00 0.04 H new ATOM 0 HA ILE A 82 7.463 0.783 0.032 1.00 0.04 H new ATOM 0 HB ILE A 82 6.760 2.945 -0.169 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.270 3.344 0.920 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.051 2.392 2.167 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.498 2.758 -1.176 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.581 1.422 -1.636 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.321 1.163 -0.406 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.397 4.779 2.542 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.943 3.965 2.203 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.150 4.932 0.936 1.00 0.06 H new ATOM 1284 N LYS A 83 6.995 1.679 3.235 1.00 0.05 N ATOM 1285 CA LYS A 83 7.688 2.109 4.461 1.00 0.05 C ATOM 1286 C LYS A 83 8.909 1.273 4.752 1.00 0.05 C ATOM 1287 O LYS A 83 9.872 1.744 5.342 1.00 0.06 O ATOM 1288 CB LYS A 83 6.749 2.028 5.654 1.00 0.06 C ATOM 1289 CG LYS A 83 6.389 3.385 6.198 1.00 0.10 C ATOM 1290 CD LYS A 83 5.622 4.164 5.162 1.00 0.12 C ATOM 1291 CE LYS A 83 5.637 5.637 5.454 1.00 0.20 C ATOM 1292 NZ LYS A 83 4.958 5.975 6.734 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.003 1.479 3.367 1.00 0.05 H new ATOM 0 HA LYS A 83 8.007 3.138 4.295 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.839 1.505 5.361 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.217 1.437 6.441 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.790 3.277 7.102 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.293 3.926 6.477 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.053 3.983 4.177 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.592 3.810 5.129 1.00 0.12 H new ATOM 0 HE2 LYS A 83 6.669 5.985 5.492 1.00 0.20 H new ATOM 0 HE3 LYS A 83 5.150 6.170 4.637 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 4.997 7.003 6.887 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 3.965 5.669 6.692 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 5.437 5.490 7.520 1.00 0.95 H new ATOM 1306 N ALA A 84 8.826 0.030 4.377 1.00 0.05 N ATOM 1307 CA ALA A 84 9.922 -0.883 4.442 1.00 0.05 C ATOM 1308 C ALA A 84 10.987 -0.465 3.509 1.00 0.04 C ATOM 1309 O ALA A 84 12.161 -0.388 3.857 1.00 0.05 O ATOM 1310 CB ALA A 84 9.421 -2.196 3.989 1.00 0.05 C ATOM 0 H ALA A 84 7.970 -0.385 4.008 1.00 0.05 H new ATOM 0 HA ALA A 84 10.319 -0.917 5.456 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.230 -2.926 4.023 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.611 -2.521 4.642 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.052 -2.112 2.967 1.00 0.05 H new ATOM 1316 N ILE A 85 10.552 -0.213 2.304 1.00 0.04 N ATOM 1317 CA ILE A 85 11.425 0.217 1.291 1.00 0.04 C ATOM 1318 C ILE A 85 12.073 1.479 1.745 1.00 0.04 C ATOM 1319 O ILE A 85 13.274 1.630 1.680 1.00 0.05 O ATOM 1320 CB ILE A 85 10.671 0.449 -0.017 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.257 -0.884 -0.591 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.510 1.254 -0.980 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.316 -0.780 -1.758 1.00 0.04 C ATOM 0 H ILE A 85 9.578 -0.306 2.015 1.00 0.04 H new ATOM 0 HA ILE A 85 12.177 -0.549 1.103 1.00 0.04 H new ATOM 0 HB ILE A 85 9.770 1.033 0.171 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.149 -1.426 -0.904 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.783 -1.475 0.193 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.955 1.408 -1.905 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.749 2.220 -0.535 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.433 0.716 -1.196 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.066 -1.779 -2.114 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.406 -0.267 -1.447 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.793 -0.218 -2.561 1.00 0.04 H new ATOM 1335 N GLN A 86 11.244 2.336 2.291 1.00 0.04 N ATOM 1336 CA GLN A 86 11.661 3.583 2.793 1.00 0.05 C ATOM 1337 C GLN A 86 12.665 3.357 3.846 1.00 0.05 C ATOM 1338 O GLN A 86 13.707 3.929 3.801 1.00 0.07 O ATOM 1339 CB GLN A 86 10.495 4.322 3.391 1.00 0.06 C ATOM 1340 CG GLN A 86 9.376 4.471 2.416 1.00 0.06 C ATOM 1341 CD GLN A 86 8.952 5.891 2.215 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.597 6.539 1.282 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.071 6.405 2.903 1.00 0.08 N flip ATOM 0 H GLN A 86 10.244 2.164 2.391 1.00 0.04 H new ATOM 0 HA GLN A 86 12.081 4.174 1.979 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.140 3.789 4.273 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.821 5.307 3.724 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.680 4.051 1.457 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.522 3.889 2.762 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.597 5.855 3.619 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.814 7.381 2.757 1.00 0.08 H new ATOM 1352 N ASP A 87 12.322 2.484 4.771 1.00 0.05 N ATOM 1353 CA ASP A 87 13.190 2.151 5.893 1.00 0.06 C ATOM 1354 C ASP A 87 14.569 1.862 5.400 1.00 0.06 C ATOM 1355 O ASP A 87 15.528 2.515 5.761 1.00 0.08 O ATOM 1356 CB ASP A 87 12.724 0.891 6.616 1.00 0.08 C ATOM 1357 CG ASP A 87 12.910 0.986 8.119 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.903 1.106 8.847 1.00 0.40 O ATOM 1359 OD2 ASP A 87 14.068 0.942 8.585 1.00 0.39 O1- ATOM 0 H ASP A 87 11.434 1.982 4.770 1.00 0.05 H new ATOM 0 HA ASP A 87 13.166 3.005 6.570 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.672 0.715 6.393 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.278 0.032 6.237 1.00 0.08 H new ATOM 1364 N VAL A 88 14.648 0.886 4.546 1.00 0.04 N ATOM 1365 CA VAL A 88 15.923 0.398 4.125 1.00 0.04 C ATOM 1366 C VAL A 88 16.576 1.384 3.146 1.00 0.04 C ATOM 1367 O VAL A 88 17.757 1.658 3.261 1.00 0.05 O ATOM 1368 CB VAL A 88 15.807 -1.020 3.550 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.790 -1.830 4.339 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.443 -0.982 2.103 1.00 0.04 C ATOM 0 H VAL A 88 13.846 0.414 4.129 1.00 0.04 H new ATOM 0 HA VAL A 88 16.579 0.326 4.992 1.00 0.04 H new ATOM 0 HB VAL A 88 16.779 -1.504 3.638 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.719 -2.833 3.919 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.105 -1.894 5.381 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.816 -1.344 4.284 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.367 -2.000 1.720 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.485 -0.476 1.982 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.211 -0.442 1.549 1.00 0.04 H new ATOM 1380 N ASN A 89 15.783 1.970 2.236 1.00 0.05 N ATOM 1381 CA ASN A 89 16.231 3.043 1.351 1.00 0.06 C ATOM 1382 C ASN A 89 16.717 4.210 2.167 1.00 0.07 C ATOM 1383 O ASN A 89 17.595 4.970 1.760 1.00 0.09 O ATOM 1384 CB ASN A 89 15.055 3.509 0.509 1.00 0.06 C ATOM 1385 CG ASN A 89 14.713 2.555 -0.605 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.192 1.431 -0.638 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.834 2.983 -1.489 1.00 0.08 N ATOM 0 H ASN A 89 14.807 1.707 2.097 1.00 0.05 H new ATOM 0 HA ASN A 89 17.038 2.672 0.719 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.183 3.636 1.151 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.284 4.487 0.085 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.526 2.367 -2.241 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.462 3.930 -1.421 1.00 0.08 H new ATOM 1394 N ALA A 90 16.128 4.317 3.335 1.00 0.07 N ATOM 1395 CA ALA A 90 16.390 5.402 4.256 1.00 0.08 C ATOM 1396 C ALA A 90 17.740 5.217 4.884 1.00 0.09 C ATOM 1397 O ALA A 90 18.277 6.105 5.537 1.00 0.12 O ATOM 1398 CB ALA A 90 15.319 5.431 5.320 1.00 0.09 C ATOM 0 H ALA A 90 15.443 3.644 3.679 1.00 0.07 H new ATOM 0 HA ALA A 90 16.380 6.349 3.716 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.517 6.248 6.013 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.346 5.579 4.852 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.320 4.486 5.863 1.00 0.09 H new ATOM 1404 N GLN A 91 18.265 4.029 4.691 1.00 0.07 N ATOM 1405 CA GLN A 91 19.548 3.662 5.208 1.00 0.08 C ATOM 1406 C GLN A 91 20.610 4.009 4.201 1.00 0.08 C ATOM 1407 O GLN A 91 21.761 4.142 4.540 1.00 0.10 O ATOM 1408 CB GLN A 91 19.562 2.178 5.546 1.00 0.07 C ATOM 1409 CG GLN A 91 18.444 1.737 6.478 1.00 0.08 C ATOM 1410 CD GLN A 91 18.149 2.700 7.611 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.749 2.663 8.669 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.183 3.540 7.396 1.00 0.14 N ATOM 0 H GLN A 91 17.803 3.288 4.164 1.00 0.07 H new ATOM 0 HA GLN A 91 19.753 4.215 6.125 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.494 1.606 4.621 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.520 1.931 6.004 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.535 1.596 5.893 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.704 0.767 6.902 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.701 3.544 6.497 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.906 4.196 8.126 1.00 0.14 H new ATOM 1421 N PHE A 92 20.203 4.178 2.966 1.00 0.08 N ATOM 1422 CA PHE A 92 21.119 4.593 1.913 1.00 0.09 C ATOM 1423 C PHE A 92 21.037 6.066 1.657 1.00 0.11 C ATOM 1424 O PHE A 92 20.046 6.727 1.965 1.00 0.12 O ATOM 1425 CB PHE A 92 20.846 3.858 0.602 1.00 0.09 C ATOM 1426 CG PHE A 92 20.779 2.392 0.753 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.861 1.595 0.465 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.629 1.815 1.212 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.789 0.245 0.641 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.546 0.471 1.386 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.628 -0.318 1.103 1.00 0.06 C ATOM 0 H PHE A 92 19.241 4.036 2.658 1.00 0.08 H new ATOM 0 HA PHE A 92 22.118 4.341 2.268 1.00 0.09 H new ATOM 0 HB2 PHE A 92 19.905 4.216 0.183 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.629 4.106 -0.115 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.773 2.041 0.097 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.775 2.436 1.439 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.643 -0.378 0.417 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.630 0.026 1.746 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.567 -1.387 1.244 1.00 0.06 H new ATOM 1441 N GLU A 93 22.117 6.557 1.085 1.00 0.12 N ATOM 1442 CA GLU A 93 22.232 7.928 0.691 1.00 0.14 C ATOM 1443 C GLU A 93 21.181 8.234 -0.367 1.00 0.14 C ATOM 1444 O GLU A 93 20.740 9.373 -0.528 1.00 0.16 O ATOM 1445 CB GLU A 93 23.632 8.187 0.151 1.00 0.16 C ATOM 1446 CG GLU A 93 24.733 7.747 1.109 1.00 0.17 C ATOM 1447 CD GLU A 93 26.072 8.399 0.818 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.572 9.150 1.680 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.636 8.161 -0.273 1.00 0.37 O1- ATOM 0 H GLU A 93 22.946 5.999 0.882 1.00 0.12 H new ATOM 0 HA GLU A 93 22.067 8.579 1.550 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.752 7.662 -0.797 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.744 9.251 -0.057 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.434 7.985 2.130 1.00 0.17 H new ATOM 0 HG3 GLU A 93 24.843 6.664 1.053 1.00 0.17 H new ATOM 1456 N LYS A 94 20.799 7.181 -1.083 1.00 0.13 N ATOM 1457 CA LYS A 94 19.719 7.226 -2.053 1.00 0.14 C ATOM 1458 C LYS A 94 19.049 5.867 -2.046 1.00 0.12 C ATOM 1459 O LYS A 94 19.716 4.848 -1.888 1.00 0.12 O ATOM 1460 CB LYS A 94 20.202 7.555 -3.472 1.00 0.21 C ATOM 1461 CG LYS A 94 21.539 8.279 -3.538 1.00 0.75 C ATOM 1462 CD LYS A 94 21.888 8.686 -4.961 1.00 1.25 C ATOM 1463 CE LYS A 94 23.213 9.430 -5.020 1.00 2.08 C ATOM 1464 NZ LYS A 94 23.171 10.707 -4.259 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.238 6.264 -1.002 1.00 0.13 H new ATOM 0 HA LYS A 94 19.031 8.023 -1.771 1.00 0.14 H new ATOM 0 HB2 LYS A 94 20.278 6.627 -4.039 1.00 0.21 H new ATOM 0 HB3 LYS A 94 19.448 8.168 -3.965 1.00 0.21 H new ATOM 0 HG2 LYS A 94 21.505 9.165 -2.904 1.00 0.75 H new ATOM 0 HG3 LYS A 94 22.323 7.633 -3.142 1.00 0.75 H new ATOM 0 HD2 LYS A 94 21.940 7.799 -5.592 1.00 1.25 H new ATOM 0 HD3 LYS A 94 21.097 9.318 -5.364 1.00 1.25 H new ATOM 0 HE2 LYS A 94 24.003 8.795 -4.619 1.00 2.08 H new ATOM 0 HE3 LYS A 94 23.467 9.636 -6.060 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 24.003 11.283 -4.501 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 22.305 11.229 -4.504 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 23.176 10.504 -3.239 1.00 2.94 H new ATOM 1478 N PRO A 95 17.730 5.856 -2.211 1.00 0.11 N ATOM 1479 CA PRO A 95 16.889 4.665 -2.087 1.00 0.09 C ATOM 1480 C PRO A 95 17.427 3.483 -2.813 1.00 0.08 C ATOM 1481 O PRO A 95 17.899 3.608 -3.943 1.00 0.10 O ATOM 1482 CB PRO A 95 15.591 5.100 -2.747 1.00 0.11 C ATOM 1483 CG PRO A 95 15.531 6.548 -2.484 1.00 0.13 C ATOM 1484 CD PRO A 95 16.949 7.024 -2.601 1.00 0.14 C ATOM 0 HA PRO A 95 16.804 4.349 -1.047 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.595 4.887 -3.816 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.732 4.580 -2.322 1.00 0.11 H new ATOM 0 HG2 PRO A 95 14.885 7.053 -3.202 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.127 6.752 -1.493 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.183 7.343 -3.616 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.143 7.874 -1.947 1.00 0.14 H new ATOM 1492 N ALA A 96 17.341 2.314 -2.206 1.00 0.06 N ATOM 1493 CA ALA A 96 17.707 1.178 -2.955 1.00 0.06 C ATOM 1494 C ALA A 96 16.668 0.096 -2.858 1.00 0.05 C ATOM 1495 O ALA A 96 16.960 -1.050 -2.555 1.00 0.05 O ATOM 1496 CB ALA A 96 19.003 0.674 -2.380 1.00 0.05 C ATOM 0 H ALA A 96 17.035 2.151 -1.247 1.00 0.06 H new ATOM 0 HA ALA A 96 17.803 1.445 -4.007 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.326 -0.209 -2.931 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.763 1.451 -2.461 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.859 0.415 -1.331 1.00 0.05 H new ATOM 1502 N ILE A 97 15.464 0.486 -3.176 1.00 0.06 N ATOM 1503 CA ILE A 97 14.438 -0.327 -3.755 1.00 0.07 C ATOM 1504 C ILE A 97 13.644 0.589 -4.601 1.00 0.08 C ATOM 1505 O ILE A 97 12.817 1.310 -4.078 1.00 0.10 O ATOM 1506 CB ILE A 97 13.533 -0.977 -2.732 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.226 -2.153 -2.115 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.194 -1.379 -3.331 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.727 -1.853 -0.745 1.00 0.05 C ATOM 0 H ILE A 97 15.156 1.447 -3.026 1.00 0.06 H new ATOM 0 HA ILE A 97 14.892 -1.150 -4.307 1.00 0.07 H new ATOM 0 HB ILE A 97 13.320 -0.244 -1.954 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.538 -2.997 -2.072 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.061 -2.454 -2.748 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.576 -1.842 -2.562 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.689 -0.495 -3.719 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.357 -2.089 -4.142 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.222 -2.734 -0.337 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.436 -1.027 -0.790 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.890 -1.578 -0.104 1.00 0.05 H new ATOM 1521 N VAL A 98 13.885 0.624 -5.847 1.00 0.09 N ATOM 1522 CA VAL A 98 13.199 1.579 -6.667 1.00 0.10 C ATOM 1523 C VAL A 98 12.660 0.901 -7.896 1.00 0.10 C ATOM 1524 O VAL A 98 13.409 0.403 -8.735 1.00 0.14 O ATOM 1525 CB VAL A 98 14.094 2.779 -6.996 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.368 3.558 -5.706 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.389 2.331 -7.653 1.00 0.11 C ATOM 0 H VAL A 98 14.543 0.016 -6.336 1.00 0.09 H new ATOM 0 HA VAL A 98 12.351 1.982 -6.113 1.00 0.10 H new ATOM 0 HB VAL A 98 13.584 3.428 -7.708 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.004 4.415 -5.927 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.425 3.905 -5.283 1.00 0.10 H new ATOM 0 HG13 VAL A 98 14.870 2.909 -4.989 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.005 3.203 -7.875 1.00 0.11 H new ATOM 0 HG22 VAL A 98 15.929 1.668 -6.977 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.163 1.801 -8.578 1.00 0.11 H new ATOM 1537 N ASP A 99 11.341 0.843 -7.932 1.00 0.09 N ATOM 1538 CA ASP A 99 10.599 0.106 -8.951 1.00 0.11 C ATOM 1539 C ASP A 99 10.613 -1.384 -8.610 1.00 0.09 C ATOM 1540 O ASP A 99 10.677 -2.246 -9.483 1.00 0.11 O ATOM 1541 CB ASP A 99 11.167 0.346 -10.354 1.00 0.14 C ATOM 1542 CG ASP A 99 10.277 -0.175 -11.472 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.667 -1.158 -12.140 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.196 0.406 -11.704 1.00 0.52 O1- ATOM 0 H ASP A 99 10.744 1.310 -7.249 1.00 0.09 H new ATOM 0 HA ASP A 99 9.571 0.469 -8.957 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.323 1.415 -10.495 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.144 -0.131 -10.427 1.00 0.14 H new ATOM 1549 N GLY A 100 10.543 -1.675 -7.316 1.00 0.07 N ATOM 1550 CA GLY A 100 10.548 -3.051 -6.863 1.00 0.08 C ATOM 1551 C GLY A 100 11.891 -3.709 -7.007 1.00 0.08 C ATOM 1552 O GLY A 100 12.032 -4.902 -6.760 1.00 0.10 O ATOM 0 H GLY A 100 10.483 -0.980 -6.572 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.243 -3.085 -5.817 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.809 -3.617 -7.430 1.00 0.08 H new ATOM 1556 N VAL A 101 12.866 -2.948 -7.442 1.00 0.08 N ATOM 1557 CA VAL A 101 14.192 -3.457 -7.594 1.00 0.09 C ATOM 1558 C VAL A 101 15.167 -2.556 -6.902 1.00 0.08 C ATOM 1559 O VAL A 101 15.097 -1.335 -6.976 1.00 0.09 O ATOM 1560 CB VAL A 101 14.572 -3.638 -9.069 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.488 -2.318 -9.824 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.960 -4.255 -9.191 1.00 0.15 C ATOM 0 H VAL A 101 12.756 -1.966 -7.697 1.00 0.08 H new ATOM 0 HA VAL A 101 14.226 -4.444 -7.132 1.00 0.09 H new ATOM 0 HB VAL A 101 13.855 -4.322 -9.524 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.763 -2.477 -10.867 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.470 -1.933 -9.772 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.172 -1.598 -9.375 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.213 -4.376 -10.244 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.692 -3.602 -8.715 1.00 0.15 H new ATOM 0 HG23 VAL A 101 15.970 -5.229 -8.701 1.00 0.15 H new ATOM 1572 N LEU A 102 16.057 -3.194 -6.231 1.00 0.07 N ATOM 1573 CA LEU A 102 17.045 -2.553 -5.442 1.00 0.07 C ATOM 1574 C LEU A 102 18.025 -1.783 -6.301 1.00 0.09 C ATOM 1575 O LEU A 102 18.276 -2.114 -7.461 1.00 0.11 O ATOM 1576 CB LEU A 102 17.758 -3.642 -4.676 1.00 0.07 C ATOM 1577 CG LEU A 102 19.243 -3.418 -4.434 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.441 -2.426 -3.312 1.00 0.06 C ATOM 1579 CD2 LEU A 102 19.958 -4.716 -4.130 1.00 0.07 C ATOM 0 H LEU A 102 16.119 -4.212 -6.216 1.00 0.07 H new ATOM 0 HA LEU A 102 16.585 -1.829 -4.770 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.266 -3.763 -3.711 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.635 -4.581 -5.216 1.00 0.07 H new ATOM 0 HG LEU A 102 19.677 -3.012 -5.348 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.507 -2.272 -3.146 1.00 0.06 H new ATOM 0 HD12 LEU A 102 18.975 -1.477 -3.578 1.00 0.06 H new ATOM 0 HD13 LEU A 102 18.984 -2.812 -2.401 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.017 -4.518 -3.963 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.528 -5.168 -3.236 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.846 -5.399 -4.972 1.00 0.07 H new ATOM 1591 N ASP A 103 18.577 -0.765 -5.698 1.00 0.09 N ATOM 1592 CA ASP A 103 19.603 0.029 -6.313 1.00 0.11 C ATOM 1593 C ASP A 103 20.908 -0.353 -5.690 1.00 0.11 C ATOM 1594 O ASP A 103 21.281 0.187 -4.673 1.00 0.10 O ATOM 1595 CB ASP A 103 19.404 1.504 -6.047 1.00 0.13 C ATOM 1596 CG ASP A 103 19.820 2.369 -7.221 1.00 0.20 C ATOM 1597 OD1 ASP A 103 20.156 1.808 -8.286 1.00 0.46 O ATOM 1598 OD2 ASP A 103 19.817 3.612 -7.084 1.00 0.48 O1- ATOM 0 H ASP A 103 18.324 -0.462 -4.758 1.00 0.09 H new ATOM 0 HA ASP A 103 19.575 -0.147 -7.388 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.355 1.690 -5.817 1.00 0.13 H new ATOM 0 HB3 ASP A 103 19.979 1.792 -5.167 1.00 0.13 H new ATOM 1603 N THR A 104 21.599 -1.257 -6.310 1.00 0.12 N ATOM 1604 CA THR A 104 22.890 -1.725 -5.827 1.00 0.14 C ATOM 1605 C THR A 104 23.895 -0.612 -5.955 1.00 0.16 C ATOM 1606 O THR A 104 25.004 -0.642 -5.414 1.00 0.19 O ATOM 1607 CB THR A 104 23.345 -2.931 -6.634 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.032 -2.515 -7.821 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.125 -3.721 -7.029 1.00 0.16 C ATOM 0 H THR A 104 21.293 -1.704 -7.174 1.00 0.12 H new ATOM 0 HA THR A 104 22.802 -2.021 -4.782 1.00 0.14 H new ATOM 0 HB THR A 104 24.024 -3.533 -6.030 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.319 -3.304 -8.327 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.428 -4.592 -7.610 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.597 -4.048 -6.133 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.466 -3.095 -7.631 1.00 0.16 H new ATOM 1617 N ASN A 105 23.441 0.381 -6.672 1.00 0.16 N ATOM 1618 CA ASN A 105 24.194 1.576 -6.935 1.00 0.20 C ATOM 1619 C ASN A 105 24.113 2.498 -5.743 1.00 0.19 C ATOM 1620 O ASN A 105 24.810 3.511 -5.653 1.00 0.26 O ATOM 1621 CB ASN A 105 23.612 2.265 -8.153 1.00 0.26 C ATOM 1622 CG ASN A 105 24.657 2.973 -8.981 1.00 0.37 C ATOM 1623 OD1 ASN A 105 24.925 4.160 -8.792 1.00 0.70 O ATOM 1624 ND2 ASN A 105 25.257 2.247 -9.904 1.00 0.90 N ATOM 0 H ASN A 105 22.515 0.380 -7.099 1.00 0.16 H new ATOM 0 HA ASN A 105 25.238 1.322 -7.119 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.103 1.527 -8.773 1.00 0.26 H new ATOM 0 HB3 ASN A 105 22.860 2.986 -7.832 1.00 0.26 H new ATOM 0 HD21 ASN A 105 25.975 2.666 -10.496 1.00 0.90 H new ATOM 0 HD22 ASN A 105 25.004 1.267 -10.026 1.00 0.90 H new ATOM 1631 N ALA A 106 23.257 2.109 -4.829 1.00 0.14 N ATOM 1632 CA ALA A 106 22.970 2.905 -3.639 1.00 0.13 C ATOM 1633 C ALA A 106 24.110 2.869 -2.656 1.00 0.14 C ATOM 1634 O ALA A 106 25.149 2.244 -2.880 1.00 0.20 O ATOM 1635 CB ALA A 106 21.686 2.448 -2.976 1.00 0.10 C ATOM 0 H ALA A 106 22.735 1.234 -4.880 1.00 0.14 H new ATOM 0 HA ALA A 106 22.844 3.937 -3.965 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.496 3.057 -2.092 1.00 0.10 H new ATOM 0 HB2 ALA A 106 20.857 2.555 -3.676 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.780 1.403 -2.682 1.00 0.10 H new ATOM 1641 N LYS A 107 23.890 3.551 -1.564 1.00 0.13 N ATOM 1642 CA LYS A 107 24.925 3.821 -0.609 1.00 0.14 C ATOM 1643 C LYS A 107 24.413 3.710 0.795 1.00 0.12 C ATOM 1644 O LYS A 107 23.839 4.654 1.305 1.00 0.12 O ATOM 1645 CB LYS A 107 25.426 5.228 -0.813 1.00 0.17 C ATOM 1646 CG LYS A 107 26.576 5.339 -1.767 1.00 0.25 C ATOM 1647 CD LYS A 107 27.762 4.555 -1.254 1.00 0.80 C ATOM 1648 CE LYS A 107 28.270 5.173 0.031 1.00 1.20 C ATOM 1649 NZ LYS A 107 28.860 6.521 -0.191 1.00 1.99 N1+ ATOM 0 H LYS A 107 22.980 3.937 -1.312 1.00 0.13 H new ATOM 0 HA LYS A 107 25.721 3.091 -0.757 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.605 5.845 -1.178 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.728 5.638 0.151 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.281 4.965 -2.747 1.00 0.25 H new ATOM 0 HG3 LYS A 107 26.851 6.386 -1.895 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.476 3.518 -1.081 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.555 4.546 -2.002 1.00 0.80 H new ATOM 0 HE2 LYS A 107 27.450 5.250 0.745 1.00 1.20 H new ATOM 0 HE3 LYS A 107 29.020 4.519 0.476 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.387 6.813 0.656 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.505 6.488 -1.006 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 28.100 7.206 -0.379 1.00 1.99 H new ATOM 1663 N ALA A 108 24.635 2.588 1.429 1.00 0.11 N ATOM 1664 CA ALA A 108 24.146 2.405 2.776 1.00 0.10 C ATOM 1665 C ALA A 108 24.881 3.361 3.712 1.00 0.11 C ATOM 1666 O ALA A 108 26.044 3.146 4.053 1.00 0.13 O ATOM 1667 CB ALA A 108 24.296 0.951 3.200 1.00 0.10 C ATOM 0 H ALA A 108 25.145 1.794 1.042 1.00 0.11 H new ATOM 0 HA ALA A 108 23.083 2.639 2.823 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.923 0.828 4.217 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.724 0.314 2.525 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.348 0.668 3.162 1.00 0.10 H new ATOM 1673 N LYS A 109 24.188 4.451 4.045 1.00 0.11 N ATOM 1674 CA LYS A 109 24.688 5.525 4.896 1.00 0.13 C ATOM 1675 C LYS A 109 25.395 5.037 6.155 1.00 0.15 C ATOM 1676 O LYS A 109 25.278 3.881 6.557 1.00 0.14 O ATOM 1677 CB LYS A 109 23.518 6.397 5.326 1.00 0.14 C ATOM 1678 CG LYS A 109 23.145 7.428 4.293 1.00 0.15 C ATOM 1679 CD LYS A 109 22.046 8.352 4.782 1.00 0.17 C ATOM 1680 CE LYS A 109 20.706 7.651 4.762 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.624 8.478 5.358 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.235 4.613 3.719 1.00 0.11 H new ATOM 0 HA LYS A 109 25.421 6.071 4.302 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.654 5.764 5.528 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.770 6.900 6.260 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.025 8.017 4.034 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.818 6.927 3.382 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.271 8.688 5.794 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.006 9.241 4.153 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.445 7.402 3.733 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.783 6.711 5.308 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.810 7.872 5.586 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 19.972 8.932 6.227 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.332 9.209 4.679 1.00 0.26 H new ATOM 1695 N SER A 110 26.077 5.967 6.814 1.00 0.19 N ATOM 1696 CA SER A 110 26.698 5.705 8.104 1.00 0.22 C ATOM 1697 C SER A 110 25.639 5.609 9.184 1.00 0.23 C ATOM 1698 O SER A 110 25.931 5.361 10.354 1.00 0.26 O ATOM 1699 CB SER A 110 27.686 6.815 8.444 1.00 0.27 C ATOM 1700 OG SER A 110 28.613 7.012 7.390 1.00 0.29 O ATOM 0 H SER A 110 26.214 6.918 6.471 1.00 0.19 H new ATOM 0 HA SER A 110 27.233 4.757 8.049 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.145 7.742 8.635 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.220 6.563 9.360 1.00 0.27 H new ATOM 0 HG SER A 110 29.235 7.730 7.631 1.00 0.29 H new ATOM 1706 N ASP A 111 24.408 5.791 8.765 1.00 0.21 N ATOM 1707 CA ASP A 111 23.287 5.781 9.662 1.00 0.23 C ATOM 1708 C ASP A 111 22.374 4.627 9.299 1.00 0.19 C ATOM 1709 O ASP A 111 21.410 4.336 10.006 1.00 0.21 O ATOM 1710 CB ASP A 111 22.548 7.112 9.585 1.00 0.28 C ATOM 1711 CG ASP A 111 21.453 7.233 10.626 1.00 0.77 C ATOM 1712 OD1 ASP A 111 20.262 7.269 10.246 1.00 1.51 O ATOM 1713 OD2 ASP A 111 21.778 7.282 11.832 1.00 0.70 O1- ATOM 0 H ASP A 111 24.160 5.950 7.788 1.00 0.21 H new ATOM 0 HA ASP A 111 23.631 5.648 10.688 1.00 0.23 H new ATOM 0 HB2 ASP A 111 23.260 7.927 9.716 1.00 0.28 H new ATOM 0 HB3 ASP A 111 22.114 7.225 8.592 1.00 0.28 H new ATOM 1718 N ALA A 112 22.675 3.983 8.166 1.00 0.14 N ATOM 1719 CA ALA A 112 22.003 2.755 7.803 1.00 0.11 C ATOM 1720 C ALA A 112 22.025 1.762 8.944 1.00 0.12 C ATOM 1721 O ALA A 112 23.074 1.307 9.408 1.00 0.15 O ATOM 1722 CB ALA A 112 22.609 2.129 6.563 1.00 0.10 C ATOM 0 H ALA A 112 23.377 4.298 7.496 1.00 0.14 H new ATOM 0 HA ALA A 112 20.968 3.015 7.583 1.00 0.11 H new ATOM 0 HB1 ALA A 112 22.077 1.209 6.323 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.527 2.824 5.727 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.660 1.903 6.746 1.00 0.10 H new ATOM 1728 N LYS A 113 20.839 1.483 9.386 1.00 0.11 N ATOM 1729 CA LYS A 113 20.565 0.550 10.435 1.00 0.13 C ATOM 1730 C LYS A 113 19.355 -0.259 10.030 1.00 0.12 C ATOM 1731 O LYS A 113 18.218 0.200 10.129 1.00 0.13 O ATOM 1732 CB LYS A 113 20.285 1.309 11.709 1.00 0.15 C ATOM 1733 CG LYS A 113 20.950 0.708 12.929 1.00 0.24 C ATOM 1734 CD LYS A 113 20.579 1.471 14.190 1.00 0.34 C ATOM 1735 CE LYS A 113 21.260 0.895 15.420 1.00 1.46 C ATOM 1736 NZ LYS A 113 20.848 1.602 16.662 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.997 1.919 9.009 1.00 0.11 H new ATOM 0 HA LYS A 113 21.414 -0.112 10.603 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.623 2.338 11.591 1.00 0.15 H new ATOM 0 HB3 LYS A 113 19.208 1.344 11.872 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.652 -0.336 13.032 1.00 0.24 H new ATOM 0 HG3 LYS A 113 22.032 0.719 12.799 1.00 0.24 H new ATOM 0 HD2 LYS A 113 20.859 2.518 14.077 1.00 0.34 H new ATOM 0 HD3 LYS A 113 19.498 1.443 14.327 1.00 0.34 H new ATOM 0 HE2 LYS A 113 21.017 -0.164 15.507 1.00 1.46 H new ATOM 0 HE3 LYS A 113 22.341 0.966 15.303 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 21.334 1.180 17.479 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 21.102 2.608 16.589 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 19.819 1.513 16.787 1.00 2.22 H new ATOM 1750 N PHE A 114 19.603 -1.448 9.554 1.00 0.11 N ATOM 1751 CA PHE A 114 18.576 -2.207 8.872 1.00 0.10 C ATOM 1752 C PHE A 114 17.748 -3.079 9.784 1.00 0.12 C ATOM 1753 O PHE A 114 18.179 -3.504 10.856 1.00 0.15 O ATOM 1754 CB PHE A 114 19.189 -3.054 7.789 1.00 0.08 C ATOM 1755 CG PHE A 114 19.669 -2.242 6.650 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.942 -1.715 6.666 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.852 -2.006 5.566 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.395 -0.961 5.622 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.300 -1.251 4.514 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.547 -0.737 4.522 1.00 0.06 C ATOM 0 H PHE A 114 20.506 -1.918 9.623 1.00 0.11 H new ATOM 0 HA PHE A 114 17.896 -1.469 8.446 1.00 0.10 H new ATOM 0 HB2 PHE A 114 20.021 -3.624 8.203 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.453 -3.776 7.434 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.587 -1.900 7.512 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.854 -2.418 5.545 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.390 -0.542 5.640 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.650 -1.066 3.672 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.895 -0.153 3.683 1.00 0.06 H new ATOM 1770 N THR A 115 16.551 -3.331 9.307 1.00 0.12 N ATOM 1771 CA THR A 115 15.612 -4.228 9.923 1.00 0.13 C ATOM 1772 C THR A 115 15.162 -5.217 8.879 1.00 0.13 C ATOM 1773 O THR A 115 14.918 -4.845 7.730 1.00 0.13 O ATOM 1774 CB THR A 115 14.406 -3.464 10.504 1.00 0.15 C ATOM 1775 OG1 THR A 115 14.129 -2.305 9.706 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.670 -3.042 11.939 1.00 0.20 C ATOM 0 H THR A 115 16.197 -2.902 8.452 1.00 0.12 H new ATOM 0 HA THR A 115 16.090 -4.746 10.755 1.00 0.13 H new ATOM 0 HB THR A 115 13.544 -4.131 10.491 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.360 -1.826 10.081 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.804 -2.505 12.326 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.852 -3.926 12.551 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.544 -2.392 11.972 1.00 0.20 H new ATOM 1784 N ASP A 116 15.126 -6.474 9.263 1.00 0.16 N ATOM 1785 CA ASP A 116 14.673 -7.539 8.392 1.00 0.18 C ATOM 1786 C ASP A 116 13.180 -7.440 8.226 1.00 0.17 C ATOM 1787 O ASP A 116 12.408 -8.252 8.737 1.00 0.23 O ATOM 1788 CB ASP A 116 15.067 -8.888 8.974 1.00 0.24 C ATOM 1789 CG ASP A 116 16.537 -9.199 8.792 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.311 -9.059 9.763 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.929 -9.580 7.669 1.00 0.88 O1- ATOM 0 H ASP A 116 15.411 -6.788 10.191 1.00 0.16 H new ATOM 0 HA ASP A 116 15.143 -7.443 7.413 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.826 -8.904 10.037 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.474 -9.670 8.500 1.00 0.24 H new ATOM 1796 N ILE A 117 12.803 -6.408 7.517 1.00 0.14 N ATOM 1797 CA ILE A 117 11.428 -6.033 7.363 1.00 0.13 C ATOM 1798 C ILE A 117 10.671 -6.993 6.501 1.00 0.15 C ATOM 1799 O ILE A 117 11.040 -7.267 5.360 1.00 0.18 O ATOM 1800 CB ILE A 117 11.298 -4.623 6.790 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.873 -3.652 7.800 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.841 -4.288 6.461 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.567 -2.205 7.498 1.00 0.12 C ATOM 0 H ILE A 117 13.455 -5.798 7.024 1.00 0.14 H new ATOM 0 HA ILE A 117 10.992 -6.056 8.362 1.00 0.13 H new ATOM 0 HB ILE A 117 11.850 -4.552 5.853 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.484 -3.897 8.788 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.954 -3.784 7.842 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.783 -3.278 6.055 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.462 -4.997 5.725 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.240 -4.350 7.368 1.00 0.12 H new ATOM 0 HD11 ILE A 117 12.012 -1.571 8.265 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.981 -1.941 6.525 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.487 -2.056 7.486 1.00 0.12 H new ATOM 1815 N LYS A 118 9.631 -7.530 7.077 1.00 0.14 N ATOM 1816 CA LYS A 118 8.662 -8.243 6.306 1.00 0.16 C ATOM 1817 C LYS A 118 7.399 -7.455 6.211 1.00 0.14 C ATOM 1818 O LYS A 118 6.724 -7.167 7.202 1.00 0.22 O ATOM 1819 CB LYS A 118 8.389 -9.608 6.877 1.00 0.23 C ATOM 1820 CG LYS A 118 9.627 -10.441 6.895 1.00 0.30 C ATOM 1821 CD LYS A 118 10.003 -10.972 5.518 1.00 0.38 C ATOM 1822 CE LYS A 118 11.051 -12.064 5.630 1.00 1.10 C ATOM 1823 NZ LYS A 118 11.477 -12.578 4.304 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.437 -7.485 8.077 1.00 0.14 H new ATOM 0 HA LYS A 118 9.071 -8.383 5.306 1.00 0.16 H new ATOM 0 HB2 LYS A 118 7.998 -9.510 7.890 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.621 -10.106 6.285 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.453 -9.848 7.288 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.485 -11.280 7.576 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.116 -11.363 5.019 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.384 -10.158 4.901 1.00 0.38 H new ATOM 0 HE2 LYS A 118 11.920 -11.677 6.163 1.00 1.10 H new ATOM 0 HE3 LYS A 118 10.653 -12.886 6.225 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 12.193 -13.321 4.433 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 10.655 -12.973 3.804 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 11.882 -11.801 3.744 1.00 1.87 H new ATOM 1837 N THR A 119 7.119 -7.099 5.004 1.00 0.10 N ATOM 1838 CA THR A 119 5.911 -6.420 4.656 1.00 0.09 C ATOM 1839 C THR A 119 4.843 -7.446 4.422 1.00 0.12 C ATOM 1840 O THR A 119 3.646 -7.152 4.435 1.00 0.16 O ATOM 1841 CB THR A 119 6.132 -5.649 3.367 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.388 -6.562 2.295 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.309 -4.744 3.522 1.00 0.06 C ATOM 0 H THR A 119 7.736 -7.275 4.211 1.00 0.10 H new ATOM 0 HA THR A 119 5.619 -5.737 5.454 1.00 0.09 H new ATOM 0 HB THR A 119 5.240 -5.063 3.146 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.335 -6.814 2.299 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.467 -4.191 2.596 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.124 -4.043 4.336 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.196 -5.336 3.747 1.00 0.06 H new ATOM 1851 N GLY A 120 5.304 -8.667 4.206 1.00 0.13 N ATOM 1852 CA GLY A 120 4.418 -9.688 3.749 1.00 0.14 C ATOM 1853 C GLY A 120 4.533 -9.879 2.251 1.00 0.13 C ATOM 1854 O GLY A 120 4.170 -10.930 1.719 1.00 0.18 O ATOM 0 H GLY A 120 6.272 -8.958 4.341 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.645 -10.625 4.257 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.392 -9.426 4.008 1.00 0.14 H new ATOM 1858 N ASN A 121 5.064 -8.865 1.572 1.00 0.10 N ATOM 1859 CA ASN A 121 5.265 -8.928 0.137 1.00 0.10 C ATOM 1860 C ASN A 121 6.617 -9.539 -0.154 1.00 0.16 C ATOM 1861 O ASN A 121 7.593 -8.828 -0.268 1.00 0.30 O ATOM 1862 CB ASN A 121 5.191 -7.525 -0.474 1.00 0.11 C ATOM 1863 CG ASN A 121 5.270 -7.525 -1.982 1.00 0.16 C ATOM 1864 OD1 ASN A 121 5.048 -8.545 -2.636 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.546 -6.361 -2.544 1.00 0.13 N ATOM 0 H ASN A 121 5.362 -7.989 2.000 1.00 0.10 H new ATOM 0 HA ASN A 121 4.481 -9.543 -0.304 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.259 -7.051 -0.166 1.00 0.11 H new ATOM 0 HB3 ASN A 121 6.004 -6.919 -0.075 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.582 -6.281 -3.560 1.00 0.13 H new ATOM 0 HD22 ASN A 121 5.723 -5.543 -1.961 1.00 0.13 H new ATOM 1872 N THR A 122 6.661 -10.861 -0.239 1.00 0.15 N ATOM 1873 CA THR A 122 7.913 -11.606 -0.286 1.00 0.16 C ATOM 1874 C THR A 122 8.937 -11.013 -1.218 1.00 0.12 C ATOM 1875 O THR A 122 10.017 -10.669 -0.781 1.00 0.11 O ATOM 1876 CB THR A 122 7.671 -13.037 -0.717 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.634 -13.634 0.076 1.00 0.26 O ATOM 1878 CG2 THR A 122 8.954 -13.834 -0.599 1.00 0.19 C ATOM 0 H THR A 122 5.829 -11.449 -0.277 1.00 0.15 H new ATOM 0 HA THR A 122 8.308 -11.559 0.729 1.00 0.16 H new ATOM 0 HB THR A 122 7.348 -13.041 -1.758 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.489 -14.558 -0.217 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.773 -14.863 -0.911 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.718 -13.390 -1.238 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.295 -13.823 0.436 1.00 0.19 H new ATOM 1886 N GLU A 123 8.607 -10.916 -2.490 1.00 0.14 N ATOM 1887 CA GLU A 123 9.523 -10.387 -3.480 1.00 0.14 C ATOM 1888 C GLU A 123 10.050 -9.049 -3.039 1.00 0.11 C ATOM 1889 O GLU A 123 11.227 -8.765 -3.195 1.00 0.15 O ATOM 1890 CB GLU A 123 8.818 -10.252 -4.812 1.00 0.21 C ATOM 1891 CG GLU A 123 8.029 -11.486 -5.180 1.00 0.30 C ATOM 1892 CD GLU A 123 8.380 -12.022 -6.553 1.00 1.16 C ATOM 1893 OE1 GLU A 123 9.397 -12.736 -6.677 1.00 1.66 O ATOM 1894 OE2 GLU A 123 7.636 -11.747 -7.515 1.00 1.46 O1- ATOM 0 H GLU A 123 7.702 -11.200 -2.865 1.00 0.14 H new ATOM 0 HA GLU A 123 10.361 -11.075 -3.588 1.00 0.14 H new ATOM 0 HB2 GLU A 123 8.147 -9.393 -4.778 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.555 -10.051 -5.590 1.00 0.21 H new ATOM 0 HG2 GLU A 123 8.209 -12.262 -4.436 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.965 -11.254 -5.147 1.00 0.30 H new ATOM 1901 N LEU A 124 9.181 -8.261 -2.433 1.00 0.09 N ATOM 1902 CA LEU A 124 9.569 -6.987 -1.890 1.00 0.07 C ATOM 1903 C LEU A 124 10.461 -7.207 -0.704 1.00 0.08 C ATOM 1904 O LEU A 124 11.489 -6.581 -0.580 1.00 0.08 O ATOM 1905 CB LEU A 124 8.364 -6.222 -1.421 1.00 0.07 C ATOM 1906 CG LEU A 124 8.700 -5.092 -0.482 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.450 -4.029 -1.223 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.460 -4.547 0.147 1.00 0.05 C ATOM 0 H LEU A 124 8.195 -8.490 -2.308 1.00 0.09 H new ATOM 0 HA LEU A 124 10.082 -6.424 -2.670 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.838 -5.820 -2.287 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.679 -6.908 -0.922 1.00 0.07 H new ATOM 0 HG LEU A 124 9.336 -5.466 0.320 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.692 -3.213 -0.542 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.371 -4.449 -1.628 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.834 -3.651 -2.039 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.722 -3.732 0.822 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.792 -4.175 -0.629 1.00 0.05 H new ATOM 0 HD23 LEU A 124 6.960 -5.336 0.708 1.00 0.05 H new ATOM 1920 N ASP A 125 10.042 -8.115 0.153 1.00 0.09 N ATOM 1921 CA ASP A 125 10.772 -8.463 1.346 1.00 0.12 C ATOM 1922 C ASP A 125 12.171 -8.892 0.956 1.00 0.12 C ATOM 1923 O ASP A 125 13.142 -8.671 1.678 1.00 0.19 O ATOM 1924 CB ASP A 125 10.020 -9.580 2.088 1.00 0.21 C ATOM 1925 CG ASP A 125 8.775 -9.077 2.800 1.00 0.97 C ATOM 1926 OD1 ASP A 125 7.935 -9.904 3.214 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.632 -7.845 2.963 1.00 1.21 O1- ATOM 0 H ASP A 125 9.173 -8.637 0.036 1.00 0.09 H new ATOM 0 HA ASP A 125 10.852 -7.608 2.017 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.738 -10.357 1.377 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.688 -10.041 2.815 1.00 0.21 H new ATOM 1932 N LYS A 126 12.255 -9.487 -0.219 1.00 0.10 N ATOM 1933 CA LYS A 126 13.511 -9.876 -0.807 1.00 0.10 C ATOM 1934 C LYS A 126 14.255 -8.714 -1.433 1.00 0.11 C ATOM 1935 O LYS A 126 15.474 -8.761 -1.548 1.00 0.17 O ATOM 1936 CB LYS A 126 13.248 -10.963 -1.842 1.00 0.11 C ATOM 1937 CG LYS A 126 12.396 -12.090 -1.299 1.00 0.13 C ATOM 1938 CD LYS A 126 12.423 -13.324 -2.189 1.00 0.18 C ATOM 1939 CE LYS A 126 13.837 -13.842 -2.428 1.00 0.62 C ATOM 1940 NZ LYS A 126 14.525 -14.209 -1.161 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.443 -9.713 -0.793 1.00 0.10 H new ATOM 0 HA LYS A 126 14.154 -10.252 -0.012 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.753 -10.523 -2.708 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.199 -11.366 -2.189 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.746 -12.358 -0.302 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.367 -11.745 -1.194 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.824 -14.111 -1.731 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.960 -13.087 -3.147 1.00 0.18 H new ATOM 0 HE2 LYS A 126 13.797 -14.713 -3.083 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.418 -13.080 -2.947 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 15.442 -14.650 -1.379 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 14.679 -13.354 -0.589 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.936 -14.880 -0.628 1.00 1.29 H new ATOM 1954 N VAL A 127 13.550 -7.668 -1.807 1.00 0.08 N ATOM 1955 CA VAL A 127 14.196 -6.528 -2.411 1.00 0.07 C ATOM 1956 C VAL A 127 14.565 -5.542 -1.322 1.00 0.06 C ATOM 1957 O VAL A 127 15.546 -4.808 -1.420 1.00 0.06 O ATOM 1958 CB VAL A 127 13.314 -5.836 -3.453 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.077 -4.711 -4.113 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.836 -6.819 -4.503 1.00 0.09 C ATOM 0 H VAL A 127 12.539 -7.585 -1.704 1.00 0.08 H new ATOM 0 HA VAL A 127 15.085 -6.885 -2.931 1.00 0.07 H new ATOM 0 HB VAL A 127 12.441 -5.430 -2.942 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.441 -4.225 -4.853 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.378 -3.984 -3.359 1.00 0.07 H new ATOM 0 HG13 VAL A 127 14.964 -5.112 -4.604 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.212 -6.300 -5.230 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.696 -7.257 -5.010 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.256 -7.609 -4.025 1.00 0.09 H new ATOM 1970 N LEU A 128 13.770 -5.561 -0.270 1.00 0.06 N ATOM 1971 CA LEU A 128 14.064 -4.826 0.938 1.00 0.05 C ATOM 1972 C LEU A 128 15.431 -5.263 1.379 1.00 0.06 C ATOM 1973 O LEU A 128 16.341 -4.482 1.641 1.00 0.06 O ATOM 1974 CB LEU A 128 13.083 -5.223 2.025 1.00 0.06 C ATOM 1975 CG LEU A 128 11.631 -4.943 1.719 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.769 -5.263 2.925 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.453 -3.501 1.298 1.00 0.06 C ATOM 0 H LEU A 128 12.899 -6.090 -0.232 1.00 0.06 H new ATOM 0 HA LEU A 128 14.003 -3.752 0.762 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.196 -6.289 2.222 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.351 -4.699 2.942 1.00 0.06 H new ATOM 0 HG LEU A 128 11.315 -5.581 0.894 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.725 -5.057 2.691 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.882 -6.316 3.184 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.080 -4.647 3.769 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.402 -3.313 1.080 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.780 -2.844 2.104 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.049 -3.306 0.406 1.00 0.06 H new ATOM 1989 N ASP A 129 15.518 -6.575 1.380 1.00 0.06 N ATOM 1990 CA ASP A 129 16.694 -7.337 1.757 1.00 0.07 C ATOM 1991 C ASP A 129 17.874 -6.981 0.908 1.00 0.07 C ATOM 1992 O ASP A 129 18.991 -6.805 1.380 1.00 0.07 O ATOM 1993 CB ASP A 129 16.390 -8.776 1.456 1.00 0.10 C ATOM 1994 CG ASP A 129 16.932 -9.748 2.482 1.00 0.17 C ATOM 1995 OD1 ASP A 129 18.109 -10.146 2.357 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.186 -10.142 3.401 1.00 0.35 O1- ATOM 0 H ASP A 129 14.736 -7.170 1.106 1.00 0.06 H new ATOM 0 HA ASP A 129 16.923 -7.138 2.804 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.309 -8.902 1.387 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.803 -9.027 0.479 1.00 0.10 H new ATOM 2001 N LYS A 130 17.580 -6.962 -0.367 1.00 0.07 N ATOM 2002 CA LYS A 130 18.501 -6.616 -1.414 1.00 0.07 C ATOM 2003 C LYS A 130 19.279 -5.399 -1.032 1.00 0.06 C ATOM 2004 O LYS A 130 20.499 -5.357 -1.130 1.00 0.07 O ATOM 2005 CB LYS A 130 17.638 -6.358 -2.619 1.00 0.08 C ATOM 2006 CG LYS A 130 17.722 -7.372 -3.737 1.00 0.12 C ATOM 2007 CD LYS A 130 17.889 -8.755 -3.223 1.00 0.15 C ATOM 2008 CE LYS A 130 19.331 -9.238 -3.321 1.00 1.00 C ATOM 2009 NZ LYS A 130 19.477 -10.646 -2.866 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.651 -7.198 -0.717 1.00 0.07 H new ATOM 0 HA LYS A 130 19.232 -7.401 -1.607 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.601 -6.298 -2.290 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.901 -5.381 -3.024 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.818 -7.318 -4.344 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.560 -7.124 -4.389 1.00 0.12 H new ATOM 0 HD2 LYS A 130 17.564 -8.795 -2.183 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.243 -9.430 -3.785 1.00 0.15 H new ATOM 0 HE2 LYS A 130 19.673 -9.153 -4.352 1.00 1.00 H new ATOM 0 HE3 LYS A 130 19.971 -8.594 -2.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 20.472 -10.936 -2.948 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 19.175 -10.723 -1.874 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 18.886 -11.265 -3.457 1.00 1.66 H new ATOM 2023 N ALA A 131 18.554 -4.448 -0.527 1.00 0.06 N ATOM 2024 CA ALA A 131 19.128 -3.191 -0.120 1.00 0.05 C ATOM 2025 C ALA A 131 19.992 -3.393 1.091 1.00 0.05 C ATOM 2026 O ALA A 131 21.141 -2.991 1.129 1.00 0.05 O ATOM 2027 CB ALA A 131 18.040 -2.215 0.203 1.00 0.04 C ATOM 0 H ALA A 131 17.547 -4.516 -0.383 1.00 0.06 H new ATOM 0 HA ALA A 131 19.735 -2.799 -0.936 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.481 -1.267 0.510 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.419 -2.058 -0.679 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.427 -2.609 1.013 1.00 0.04 H new ATOM 2033 N ILE A 132 19.420 -4.023 2.085 1.00 0.05 N ATOM 2034 CA ILE A 132 20.134 -4.375 3.289 1.00 0.06 C ATOM 2035 C ILE A 132 21.413 -5.106 2.979 1.00 0.08 C ATOM 2036 O ILE A 132 22.369 -5.085 3.752 1.00 0.09 O ATOM 2037 CB ILE A 132 19.274 -5.280 4.148 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.853 -4.747 4.092 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.802 -5.355 5.573 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.942 -5.181 5.212 1.00 0.07 C ATOM 0 H ILE A 132 18.441 -4.308 2.083 1.00 0.05 H new ATOM 0 HA ILE A 132 20.369 -3.448 3.812 1.00 0.06 H new ATOM 0 HB ILE A 132 19.298 -6.302 3.770 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.894 -3.658 4.085 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.407 -5.056 3.147 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.163 -6.012 6.164 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.818 -5.749 5.564 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.803 -4.358 6.014 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.955 -4.741 5.069 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.858 -6.268 5.213 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.353 -4.848 6.165 1.00 0.07 H new ATOM 2052 N SER A 133 21.423 -5.742 1.834 1.00 0.08 N ATOM 2053 CA SER A 133 22.534 -6.518 1.430 1.00 0.10 C ATOM 2054 C SER A 133 23.615 -5.616 0.834 1.00 0.08 C ATOM 2055 O SER A 133 24.763 -6.017 0.650 1.00 0.11 O ATOM 2056 CB SER A 133 22.039 -7.550 0.464 1.00 0.13 C ATOM 2057 OG SER A 133 21.176 -8.474 1.108 1.00 1.33 O ATOM 0 H SER A 133 20.653 -5.727 1.166 1.00 0.08 H new ATOM 0 HA SER A 133 22.996 -7.026 2.276 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.510 -7.063 -0.355 1.00 0.13 H new ATOM 0 HB3 SER A 133 22.885 -8.080 0.027 1.00 0.13 H new ATOM 0 HG SER A 133 20.316 -8.043 1.294 1.00 1.33 H new ATOM 2063 N LEU A 134 23.215 -4.384 0.545 1.00 0.08 N ATOM 2064 CA LEU A 134 24.132 -3.310 0.212 1.00 0.08 C ATOM 2065 C LEU A 134 24.712 -2.747 1.498 1.00 0.08 C ATOM 2066 O LEU A 134 25.830 -2.236 1.512 1.00 0.10 O ATOM 2067 CB LEU A 134 23.414 -2.199 -0.546 1.00 0.07 C ATOM 2068 CG LEU A 134 23.199 -2.374 -2.042 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.569 -3.701 -2.381 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.345 -1.232 -2.528 1.00 0.08 C ATOM 0 H LEU A 134 22.234 -4.103 0.536 1.00 0.08 H new ATOM 0 HA LEU A 134 24.924 -3.705 -0.424 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.437 -2.057 -0.083 1.00 0.07 H new ATOM 0 HB3 LEU A 134 23.975 -1.277 -0.396 1.00 0.07 H new ATOM 0 HG LEU A 134 24.167 -2.366 -2.542 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.437 -3.776 -3.460 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.215 -4.509 -2.037 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.599 -3.779 -1.891 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.176 -1.335 -3.600 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.388 -1.246 -2.007 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.852 -0.288 -2.329 1.00 0.08 H new ATOM 2082 N GLY A 135 23.932 -2.844 2.575 1.00 0.09 N ATOM 2083 CA GLY A 135 24.387 -2.381 3.870 1.00 0.12 C ATOM 2084 C GLY A 135 25.565 -3.182 4.388 1.00 0.27 C ATOM 2085 O GLY A 135 25.344 -4.207 5.063 1.00 1.05 O ATOM 2086 OXT GLY A 135 26.720 -2.794 4.119 1.00 1.19 O ATOM 0 H GLY A 135 22.991 -3.237 2.569 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.668 -1.330 3.799 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.566 -2.444 4.584 1.00 0.12 H new TER 2090 GLY A 135