USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=49 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 46 ASN :FLIP amide:sc= -0.528 F(o=-8.8,f=-7.3) USER MOD Set 1.2: A 89 ASN : amide:sc= -6.77! C(o=-7.3!,f=-12!) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.454 K(o=-0.36,f=-6.1!) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.0959 USER MOD Set 3.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.462 USER MOD Set 3.3: A 77 SER OG : rot -5:sc= 1.09 USER MOD Set 3.4: A 81 GLN :FLIP amide:sc= -0.157 F(o=-0.6,f=1.4) USER MOD Set 4.1: A 29 ASN : amide:sc= -0.221! K(o=-0.2!,f=-6.2) USER MOD Set 4.2: A 74 LYS NZ :NH3+ -141:sc= 0.0201 (180deg=-0.468!) USER MOD Set 5.1: A 16 GLN : amide:sc= 0.888 K(o=2.6,f=0.81) USER MOD Set 5.2: A 19 THR OG1 : rot 63:sc= 1.75 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0964 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00247 X(o=-0.0025,f=0) USER MOD Single : A 3 MET CE :methyl -163:sc= -0.0903 (180deg=-0.51) USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00611 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 39:sc= 0.00233 USER MOD Single : A 21 ASN : amide:sc= 0.578 K(o=0.58,f=-0.31) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.45 F(o=-5.8!,f=-2.5) USER MOD Single : A 23 SER OG : rot -33:sc= 0.0141 USER MOD Single : A 30 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 41 LYS NZ :NH3+ 149:sc= -1.2! (180deg=-1.63!) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0765 (180deg=-0.479) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0297 F(o=-1.1,f=-0.03) USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= 0.311 (180deg=0.0252) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.4!) USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= -0.0631 (180deg=-0.403) USER MOD Single : A 65 SER OG : rot 80:sc= 0.0169 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -8.61! C(o=-9.8!,f=-8.6!) 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 78:sc= 0.608 USER MOD Single : A 75 TYR OH : rot 165:sc= -1.56 USER MOD Single : A 80 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= -2.18! (180deg=-2.57!) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.43 F(o=-2.4!,f=-1.4) USER MOD Single : A 91 GLN : amide:sc= -0.0647 K(o=-0.065,f=-9.8!) USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0224) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -166:sc= 1.06 (180deg=0.875) 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+ 163:sc= -0.097 (180deg=-0.448) USER MOD Single : A 119 THR OG1 : rot -72:sc= -0.753! USER MOD Single : A 121 ASN : amide:sc= -2.71! C(o=-2.7!,f=-9.3!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ -145:sc= 0.0899 (180deg=-0.304) USER MOD Single : A 133 SER OG : rot 75:sc= 0.617 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -53.095 -3.944 -9.801 1.00 22.48 N ATOM 2 CA GLY A 1 -52.924 -4.845 -8.636 1.00 22.34 C ATOM 3 C GLY A 1 -51.501 -5.346 -8.513 1.00 22.10 C ATOM 4 O GLY A 1 -50.641 -4.982 -9.321 1.00 22.12 O ATOM 0 H1 GLY A 1 -53.432 -3.016 -9.475 1.00 22.48 H new ATOM 0 H2 GLY A 1 -52.183 -3.830 -10.288 1.00 22.48 H new ATOM 0 H3 GLY A 1 -53.789 -4.354 -10.458 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -53.203 -4.316 -7.724 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -53.601 -5.694 -8.732 1.00 22.34 H new ATOM 10 N HIS A 2 -51.256 -6.181 -7.504 1.00 21.98 N ATOM 11 CA HIS A 2 -49.928 -6.736 -7.236 1.00 21.88 C ATOM 12 C HIS A 2 -48.902 -5.629 -7.049 1.00 21.50 C ATOM 13 O HIS A 2 -47.787 -5.694 -7.566 1.00 21.64 O ATOM 14 CB HIS A 2 -49.493 -7.699 -8.344 1.00 22.32 C ATOM 15 CG HIS A 2 -50.286 -8.966 -8.368 1.00 22.67 C ATOM 16 ND1 HIS A 2 -50.966 -9.413 -9.479 1.00 22.91 N ATOM 17 CD2 HIS A 2 -50.508 -9.886 -7.401 1.00 22.94 C ATOM 18 CE1 HIS A 2 -51.574 -10.548 -9.194 1.00 23.31 C ATOM 19 NE2 HIS A 2 -51.313 -10.857 -7.939 1.00 23.33 N ATOM 0 H HIS A 2 -51.973 -6.493 -6.848 1.00 21.98 H new ATOM 0 HA HIS A 2 -49.989 -7.303 -6.307 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -49.588 -7.200 -9.308 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -48.438 -7.941 -8.213 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -50.123 -9.860 -6.392 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -52.183 -11.126 -9.873 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -51.654 -11.684 -7.448 1.00 23.33 H new ATOM 28 N MET A 3 -49.298 -4.613 -6.307 1.00 21.13 N ATOM 29 CA MET A 3 -48.423 -3.496 -5.996 1.00 20.87 C ATOM 30 C MET A 3 -48.529 -3.159 -4.515 1.00 20.26 C ATOM 31 O MET A 3 -47.559 -2.736 -3.889 1.00 20.24 O ATOM 32 CB MET A 3 -48.789 -2.276 -6.841 1.00 21.09 C ATOM 33 CG MET A 3 -47.926 -1.057 -6.560 1.00 21.38 C ATOM 34 SD MET A 3 -48.458 0.398 -7.480 1.00 21.89 S ATOM 35 CE MET A 3 -48.201 -0.149 -9.167 1.00 22.11 C ATOM 0 H MET A 3 -50.232 -4.537 -5.903 1.00 21.13 H new ATOM 0 HA MET A 3 -47.396 -3.778 -6.228 1.00 20.87 H new ATOM 0 HB2 MET A 3 -48.702 -2.536 -7.896 1.00 21.09 H new ATOM 0 HB3 MET A 3 -49.833 -2.020 -6.661 1.00 21.09 H new ATOM 0 HG2 MET A 3 -47.952 -0.837 -5.493 1.00 21.38 H new ATOM 0 HG3 MET A 3 -46.890 -1.284 -6.814 1.00 21.38 H new ATOM 0 HE1 MET A 3 -48.191 0.715 -9.832 1.00 22.11 H new ATOM 0 HE2 MET A 3 -47.248 -0.673 -9.238 1.00 22.11 H new ATOM 0 HE3 MET A 3 -49.007 -0.822 -9.458 1.00 22.11 H new ATOM 45 N GLN A 4 -49.713 -3.372 -3.960 1.00 19.88 N ATOM 46 CA GLN A 4 -49.955 -3.111 -2.553 1.00 19.37 C ATOM 47 C GLN A 4 -49.693 -4.379 -1.746 1.00 18.69 C ATOM 48 O GLN A 4 -50.595 -4.945 -1.124 1.00 18.61 O ATOM 49 CB GLN A 4 -51.390 -2.620 -2.336 1.00 19.44 C ATOM 50 CG GLN A 4 -51.660 -2.130 -0.921 1.00 19.70 C ATOM 51 CD GLN A 4 -53.111 -1.751 -0.692 1.00 20.20 C ATOM 52 OE1 GLN A 4 -53.781 -1.284 -1.733 1.00 20.59 O flip ATOM 53 NE2 GLN A 4 -53.627 -1.872 0.419 1.00 20.31 N flip ATOM 0 H GLN A 4 -50.524 -3.727 -4.468 1.00 19.88 H new ATOM 0 HA GLN A 4 -49.277 -2.328 -2.214 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -51.598 -1.812 -3.037 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -52.081 -3.430 -2.569 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -51.377 -2.909 -0.213 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -51.028 -1.267 -0.715 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -53.079 -2.236 1.199 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -54.602 -1.608 0.560 1.00 20.31 H new ATOM 62 N VAL A 5 -48.456 -4.840 -1.789 1.00 18.32 N ATOM 63 CA VAL A 5 -48.060 -6.020 -1.047 1.00 17.78 C ATOM 64 C VAL A 5 -47.484 -5.595 0.295 1.00 17.06 C ATOM 65 O VAL A 5 -46.301 -5.269 0.405 1.00 16.99 O ATOM 66 CB VAL A 5 -47.026 -6.863 -1.824 1.00 18.09 C ATOM 67 CG1 VAL A 5 -46.771 -8.186 -1.118 1.00 18.26 C ATOM 68 CG2 VAL A 5 -47.491 -7.099 -3.253 1.00 18.37 C ATOM 0 H VAL A 5 -47.707 -4.412 -2.333 1.00 18.32 H new ATOM 0 HA VAL A 5 -48.942 -6.643 -0.896 1.00 17.78 H new ATOM 0 HB VAL A 5 -46.089 -6.307 -1.856 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -46.039 -8.764 -1.682 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -46.388 -7.996 -0.116 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -47.703 -8.747 -1.050 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -46.748 -7.695 -3.784 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -48.443 -7.630 -3.243 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -47.616 -6.141 -3.758 1.00 18.37 H new ATOM 78 N ALA A 6 -48.327 -5.608 1.315 1.00 16.65 N ATOM 79 CA ALA A 6 -47.970 -5.061 2.617 1.00 16.09 C ATOM 80 C ALA A 6 -47.130 -6.037 3.441 1.00 15.56 C ATOM 81 O ALA A 6 -47.328 -6.180 4.650 1.00 15.23 O ATOM 82 CB ALA A 6 -49.230 -4.664 3.371 1.00 16.02 C ATOM 0 H ALA A 6 -49.270 -5.994 1.267 1.00 16.65 H new ATOM 0 HA ALA A 6 -47.355 -4.177 2.452 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -48.958 -4.255 4.344 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -49.773 -3.911 2.800 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -49.863 -5.541 3.510 1.00 16.02 H new ATOM 88 N ARG A 7 -46.183 -6.697 2.788 1.00 15.63 N ATOM 89 CA ARG A 7 -45.260 -7.588 3.482 1.00 15.34 C ATOM 90 C ARG A 7 -44.022 -6.811 3.904 1.00 14.74 C ATOM 91 O ARG A 7 -43.227 -7.271 4.721 1.00 14.45 O ATOM 92 CB ARG A 7 -44.849 -8.762 2.590 1.00 15.83 C ATOM 93 CG ARG A 7 -44.024 -8.351 1.379 1.00 16.12 C ATOM 94 CD ARG A 7 -43.457 -9.560 0.655 1.00 16.49 C ATOM 95 NE ARG A 7 -44.499 -10.501 0.248 1.00 16.78 N ATOM 96 CZ ARG A 7 -44.268 -11.613 -0.447 1.00 17.15 C ATOM 97 NH1 ARG A 7 -43.031 -11.927 -0.814 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -45.277 -12.409 -0.771 1.00 17.53 N ATOM 0 H ARG A 7 -46.033 -6.633 1.781 1.00 15.63 H new ATOM 0 HA ARG A 7 -45.766 -7.987 4.361 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -44.276 -9.475 3.184 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -45.746 -9.279 2.249 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -44.644 -7.773 0.694 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -43.209 -7.701 1.696 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -42.906 -9.228 -0.225 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -42.744 -10.069 1.304 1.00 16.49 H new ATOM 0 HE ARG A 7 -45.462 -10.293 0.513 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -42.254 -11.316 -0.564 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -42.858 -12.780 -1.346 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -46.227 -12.169 -0.488 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -45.103 -13.262 -1.303 1.00 17.53 H new ATOM 112 N SER A 8 -43.870 -5.632 3.331 1.00 14.73 N ATOM 113 CA SER A 8 -42.723 -4.791 3.598 1.00 14.36 C ATOM 114 C SER A 8 -43.132 -3.543 4.371 1.00 13.83 C ATOM 115 O SER A 8 -44.111 -2.879 4.028 1.00 13.83 O ATOM 116 CB SER A 8 -42.064 -4.414 2.271 1.00 14.71 C ATOM 117 OG SER A 8 -43.044 -4.181 1.269 1.00 15.09 O ATOM 0 H SER A 8 -44.537 -5.233 2.670 1.00 14.73 H new ATOM 0 HA SER A 8 -42.011 -5.339 4.215 1.00 14.36 H new ATOM 0 HB2 SER A 8 -41.454 -3.521 2.404 1.00 14.71 H new ATOM 0 HB3 SER A 8 -41.394 -5.213 1.952 1.00 14.71 H new ATOM 0 HG SER A 8 -42.602 -3.940 0.429 1.00 15.09 H new ATOM 123 N THR A 9 -42.387 -3.239 5.423 1.00 13.57 N ATOM 124 CA THR A 9 -42.661 -2.072 6.241 1.00 13.24 C ATOM 125 C THR A 9 -42.028 -0.819 5.627 1.00 12.78 C ATOM 126 O THR A 9 -42.558 0.284 5.758 1.00 12.86 O ATOM 127 CB THR A 9 -42.162 -2.276 7.695 1.00 13.31 C ATOM 128 OG1 THR A 9 -42.491 -1.139 8.505 1.00 13.75 O ATOM 129 CG2 THR A 9 -40.659 -2.514 7.743 1.00 13.07 C ATOM 0 H THR A 9 -41.584 -3.789 5.730 1.00 13.57 H new ATOM 0 HA THR A 9 -43.742 -1.934 6.272 1.00 13.24 H new ATOM 0 HB THR A 9 -42.664 -3.160 8.088 1.00 13.31 H new ATOM 0 HG1 THR A 9 -42.170 -1.285 9.419 1.00 13.75 H new ATOM 0 HG21 THR A 9 -40.345 -2.653 8.778 1.00 13.07 H new ATOM 0 HG22 THR A 9 -40.413 -3.406 7.167 1.00 13.07 H new ATOM 0 HG23 THR A 9 -40.141 -1.654 7.319 1.00 13.07 H new ATOM 137 N LYS A 10 -40.906 -0.998 4.937 1.00 12.51 N ATOM 138 CA LYS A 10 -40.220 0.115 4.290 1.00 12.26 C ATOM 139 C LYS A 10 -39.600 -0.325 2.968 1.00 11.57 C ATOM 140 O LYS A 10 -38.846 0.427 2.348 1.00 11.56 O ATOM 141 CB LYS A 10 -39.138 0.689 5.210 1.00 12.85 C ATOM 142 CG LYS A 10 -38.079 -0.322 5.614 1.00 13.32 C ATOM 143 CD LYS A 10 -37.069 0.277 6.580 1.00 13.86 C ATOM 144 CE LYS A 10 -36.032 -0.749 7.002 1.00 14.21 C ATOM 145 NZ LYS A 10 -35.056 -0.194 7.977 1.00 14.58 N1+ ATOM 0 H LYS A 10 -40.453 -1.903 4.812 1.00 12.51 H new ATOM 0 HA LYS A 10 -40.957 0.892 4.087 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -38.654 1.527 4.708 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -39.611 1.085 6.109 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -38.558 -1.185 6.077 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -37.562 -0.683 4.725 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -36.573 1.126 6.110 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -37.586 0.657 7.461 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -36.534 -1.610 7.443 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -35.499 -1.108 6.121 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -34.368 -0.929 8.236 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -34.557 0.611 7.548 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -35.560 0.125 8.829 1.00 14.58 H new ATOM 159 N GLU A 11 -39.945 -1.546 2.550 1.00 11.20 N ATOM 160 CA GLU A 11 -39.404 -2.168 1.337 1.00 10.71 C ATOM 161 C GLU A 11 -37.939 -2.552 1.536 1.00 9.66 C ATOM 162 O GLU A 11 -37.161 -1.814 2.144 1.00 9.26 O ATOM 163 CB GLU A 11 -39.561 -1.250 0.115 1.00 11.05 C ATOM 164 CG GLU A 11 -39.197 -1.921 -1.203 1.00 11.92 C ATOM 165 CD GLU A 11 -39.410 -1.018 -2.401 1.00 12.59 C ATOM 166 OE1 GLU A 11 -40.485 -1.098 -3.033 1.00 13.16 O ATOM 167 OE2 GLU A 11 -38.505 -0.222 -2.720 1.00 12.70 O1- ATOM 0 H GLU A 11 -40.613 -2.136 3.047 1.00 11.20 H new ATOM 0 HA GLU A 11 -39.978 -3.075 1.146 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -40.593 -0.902 0.063 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -38.934 -0.369 0.250 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -38.153 -2.233 -1.170 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -39.796 -2.824 -1.323 1.00 11.92 H new ATOM 174 N ILE A 12 -37.573 -3.729 1.047 1.00 9.40 N ATOM 175 CA ILE A 12 -36.204 -4.206 1.157 1.00 8.58 C ATOM 176 C ILE A 12 -35.297 -3.442 0.203 1.00 8.21 C ATOM 177 O ILE A 12 -35.306 -3.680 -1.005 1.00 8.57 O ATOM 178 CB ILE A 12 -36.099 -5.714 0.854 1.00 8.89 C ATOM 179 CG1 ILE A 12 -36.918 -6.530 1.850 1.00 9.53 C ATOM 180 CG2 ILE A 12 -34.652 -6.158 0.882 1.00 8.32 C ATOM 181 CD1 ILE A 12 -36.455 -6.395 3.284 1.00 10.10 C ATOM 0 H ILE A 12 -38.207 -4.370 0.570 1.00 9.40 H new ATOM 0 HA ILE A 12 -35.886 -4.037 2.186 1.00 8.58 H new ATOM 0 HB ILE A 12 -36.503 -5.887 -0.144 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -37.962 -6.222 1.785 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -36.878 -7.581 1.563 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -34.595 -7.225 0.666 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -34.087 -5.605 0.131 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -34.231 -5.964 1.869 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -37.087 -7.005 3.929 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -35.421 -6.731 3.366 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -36.522 -5.351 3.591 1.00 10.10 H new ATOM 193 N GLU A 13 -34.529 -2.514 0.748 1.00 7.77 N ATOM 194 CA GLU A 13 -33.616 -1.723 -0.047 1.00 7.68 C ATOM 195 C GLU A 13 -32.214 -1.770 0.542 1.00 6.98 C ATOM 196 O GLU A 13 -31.317 -2.408 -0.012 1.00 6.99 O ATOM 197 CB GLU A 13 -34.103 -0.279 -0.125 1.00 8.41 C ATOM 198 CG GLU A 13 -35.467 -0.133 -0.765 1.00 9.30 C ATOM 199 CD GLU A 13 -35.839 1.311 -1.019 1.00 10.20 C ATOM 200 OE1 GLU A 13 -35.556 1.816 -2.124 1.00 10.61 O ATOM 201 OE2 GLU A 13 -36.414 1.953 -0.111 1.00 10.66 O1- ATOM 0 H GLU A 13 -34.523 -2.292 1.744 1.00 7.77 H new ATOM 0 HA GLU A 13 -33.583 -2.141 -1.053 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -34.136 0.139 0.881 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -33.381 0.309 -0.691 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -35.482 -0.679 -1.708 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -36.218 -0.590 -0.120 1.00 9.30 H new ATOM 208 N THR A 14 -32.032 -1.112 1.676 1.00 6.67 N ATOM 209 CA THR A 14 -30.723 -1.022 2.292 1.00 6.26 C ATOM 210 C THR A 14 -30.598 -1.981 3.474 1.00 5.40 C ATOM 211 O THR A 14 -30.813 -1.611 4.628 1.00 5.42 O ATOM 212 CB THR A 14 -30.426 0.422 2.741 1.00 6.72 C ATOM 213 OG1 THR A 14 -30.587 1.311 1.626 1.00 7.42 O ATOM 214 CG2 THR A 14 -29.011 0.548 3.291 1.00 7.00 C ATOM 0 H THR A 14 -32.775 -0.634 2.186 1.00 6.67 H new ATOM 0 HA THR A 14 -29.987 -1.311 1.542 1.00 6.26 H new ATOM 0 HB THR A 14 -31.126 0.685 3.534 1.00 6.72 H new ATOM 0 HG1 THR A 14 -30.400 2.230 1.911 1.00 7.42 H new ATOM 0 HG21 THR A 14 -28.831 1.578 3.600 1.00 7.00 H new ATOM 0 HG22 THR A 14 -28.894 -0.114 4.149 1.00 7.00 H new ATOM 0 HG23 THR A 14 -28.294 0.270 2.518 1.00 7.00 H new ATOM 222 N SER A 15 -30.271 -3.224 3.169 1.00 5.02 N ATOM 223 CA SER A 15 -29.959 -4.213 4.188 1.00 4.54 C ATOM 224 C SER A 15 -28.445 -4.339 4.308 1.00 3.88 C ATOM 225 O SER A 15 -27.918 -5.248 4.951 1.00 4.02 O ATOM 226 CB SER A 15 -30.586 -5.552 3.805 1.00 5.20 C ATOM 227 OG SER A 15 -30.368 -5.826 2.429 1.00 6.06 O ATOM 0 H SER A 15 -30.214 -3.576 2.213 1.00 5.02 H new ATOM 0 HA SER A 15 -30.365 -3.905 5.151 1.00 4.54 H new ATOM 0 HB2 SER A 15 -30.157 -6.349 4.413 1.00 5.20 H new ATOM 0 HB3 SER A 15 -31.656 -5.533 4.013 1.00 5.20 H new ATOM 0 HG SER A 15 -30.774 -6.688 2.199 1.00 6.06 H new ATOM 233 N GLN A 16 -27.760 -3.390 3.689 1.00 3.65 N ATOM 234 CA GLN A 16 -26.318 -3.425 3.558 1.00 3.49 C ATOM 235 C GLN A 16 -25.658 -2.490 4.568 1.00 2.88 C ATOM 236 O GLN A 16 -26.088 -1.348 4.745 1.00 3.21 O ATOM 237 CB GLN A 16 -25.954 -3.035 2.128 1.00 4.06 C ATOM 238 CG GLN A 16 -24.471 -3.096 1.811 1.00 4.50 C ATOM 239 CD GLN A 16 -24.196 -2.928 0.330 1.00 5.43 C ATOM 240 OE1 GLN A 16 -25.001 -3.321 -0.513 1.00 5.86 O ATOM 241 NE2 GLN A 16 -23.067 -2.330 0.001 1.00 6.06 N ATOM 0 H GLN A 16 -28.194 -2.571 3.263 1.00 3.65 H new ATOM 0 HA GLN A 16 -25.952 -4.430 3.766 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -26.486 -3.692 1.440 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -26.310 -2.022 1.940 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -23.950 -2.316 2.367 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -24.068 -4.051 2.148 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -22.424 -2.018 0.729 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -22.837 -2.180 -0.981 1.00 6.06 H new ATOM 250 N SER A 17 -24.625 -2.997 5.238 1.00 2.48 N ATOM 251 CA SER A 17 -23.864 -2.217 6.213 1.00 2.00 C ATOM 252 C SER A 17 -23.076 -1.102 5.529 1.00 1.45 C ATOM 253 O SER A 17 -23.168 -0.932 4.312 1.00 1.99 O ATOM 254 CB SER A 17 -22.898 -3.132 6.967 1.00 2.29 C ATOM 255 OG SER A 17 -23.561 -4.301 7.423 1.00 2.91 O ATOM 0 H SER A 17 -24.293 -3.954 5.122 1.00 2.48 H new ATOM 0 HA SER A 17 -24.569 -1.766 6.911 1.00 2.00 H new ATOM 0 HB2 SER A 17 -22.070 -3.410 6.315 1.00 2.29 H new ATOM 0 HB3 SER A 17 -22.471 -2.597 7.815 1.00 2.29 H new ATOM 0 HG SER A 17 -22.924 -4.873 7.901 1.00 2.91 H new ATOM 261 N THR A 18 -22.293 -0.362 6.310 1.00 1.04 N ATOM 262 CA THR A 18 -21.445 0.697 5.776 1.00 0.58 C ATOM 263 C THR A 18 -20.622 0.207 4.596 1.00 0.63 C ATOM 264 O THR A 18 -20.020 -0.863 4.647 1.00 1.40 O ATOM 265 CB THR A 18 -20.501 1.245 6.851 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.910 0.169 7.593 1.00 1.44 O ATOM 267 CG2 THR A 18 -21.242 2.175 7.789 1.00 1.26 C ATOM 0 H THR A 18 -22.229 -0.479 7.321 1.00 1.04 H new ATOM 0 HA THR A 18 -22.109 1.493 5.440 1.00 0.58 H new ATOM 0 HB THR A 18 -19.710 1.808 6.355 1.00 0.91 H new ATOM 0 HG1 THR A 18 -19.696 -0.569 6.985 1.00 1.44 H new ATOM 0 HG21 THR A 18 -20.554 2.553 8.545 1.00 1.26 H new ATOM 0 HG22 THR A 18 -21.654 3.010 7.223 1.00 1.26 H new ATOM 0 HG23 THR A 18 -22.052 1.632 8.275 1.00 1.26 H new ATOM 275 N THR A 19 -20.603 0.984 3.532 1.00 0.61 N ATOM 276 CA THR A 19 -19.907 0.582 2.327 1.00 0.56 C ATOM 277 C THR A 19 -19.262 1.775 1.646 1.00 0.64 C ATOM 278 O THR A 19 -19.744 2.903 1.741 1.00 1.25 O ATOM 279 CB THR A 19 -20.850 -0.137 1.344 1.00 0.63 C ATOM 280 OG1 THR A 19 -21.607 -1.138 2.041 1.00 0.66 O ATOM 281 CG2 THR A 19 -20.055 -0.798 0.229 1.00 0.66 C ATOM 0 H THR A 19 -21.060 1.894 3.477 1.00 0.61 H new ATOM 0 HA THR A 19 -19.125 -0.117 2.626 1.00 0.56 H new ATOM 0 HB THR A 19 -21.525 0.601 0.911 1.00 0.63 H new ATOM 0 HG1 THR A 19 -22.174 -0.709 2.715 1.00 0.66 H new ATOM 0 HG21 THR A 19 -20.738 -1.301 -0.456 1.00 0.66 H new ATOM 0 HG22 THR A 19 -19.490 -0.040 -0.314 1.00 0.66 H new ATOM 0 HG23 THR A 19 -19.367 -1.527 0.656 1.00 0.66 H new ATOM 289 N ALA A 20 -18.156 1.507 0.968 1.00 0.26 N ATOM 290 CA ALA A 20 -17.342 2.549 0.386 1.00 0.22 C ATOM 291 C ALA A 20 -17.888 3.025 -0.936 1.00 0.24 C ATOM 292 O ALA A 20 -18.879 2.513 -1.460 1.00 0.39 O ATOM 293 CB ALA A 20 -15.938 2.066 0.194 1.00 0.31 C ATOM 0 H ALA A 20 -17.804 0.563 0.809 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.356 3.389 1.081 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.336 2.862 -0.245 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.516 1.782 1.158 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.938 1.202 -0.471 1.00 0.31 H new ATOM 299 N ASN A 21 -17.191 3.995 -1.464 1.00 0.23 N ATOM 300 CA ASN A 21 -17.556 4.666 -2.683 1.00 0.24 C ATOM 301 C ASN A 21 -16.433 4.461 -3.668 1.00 0.25 C ATOM 302 O ASN A 21 -15.307 4.259 -3.260 1.00 0.26 O ATOM 303 CB ASN A 21 -17.725 6.145 -2.362 1.00 0.27 C ATOM 304 CG ASN A 21 -18.805 6.363 -1.310 1.00 0.35 C ATOM 305 OD1 ASN A 21 -19.946 6.686 -1.638 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.463 6.144 -0.041 1.00 0.35 N ATOM 0 H ASN A 21 -16.330 4.350 -1.047 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.484 4.281 -3.106 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -16.779 6.552 -2.005 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -17.984 6.689 -3.270 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.158 6.243 0.699 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.506 5.878 0.191 1.00 0.35 H new ATOM 313 N GLN A 22 -16.711 4.497 -4.949 1.00 0.34 N ATOM 314 CA GLN A 22 -15.657 4.283 -5.929 1.00 0.40 C ATOM 315 C GLN A 22 -14.792 5.516 -6.074 1.00 0.42 C ATOM 316 O GLN A 22 -13.706 5.457 -6.634 1.00 0.48 O ATOM 317 CB GLN A 22 -16.233 3.870 -7.274 1.00 0.51 C ATOM 318 CG GLN A 22 -16.193 2.373 -7.520 1.00 0.51 C ATOM 319 CD GLN A 22 -16.603 1.587 -6.302 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.648 1.351 -5.427 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.765 1.228 -6.131 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.638 4.669 -5.339 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.030 3.468 -5.567 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.266 4.212 -7.338 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -15.680 4.375 -8.067 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -16.854 2.125 -8.350 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.185 2.082 -7.817 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.471 1.434 -6.837 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -18.024 0.724 -5.283 1.00 0.38 H new ATOM 330 N SER A 23 -15.261 6.624 -5.536 1.00 0.41 N ATOM 331 CA SER A 23 -14.449 7.807 -5.455 1.00 0.47 C ATOM 332 C SER A 23 -13.525 7.660 -4.265 1.00 0.41 C ATOM 333 O SER A 23 -12.551 8.397 -4.102 1.00 0.49 O ATOM 334 CB SER A 23 -15.326 9.059 -5.332 1.00 0.52 C ATOM 335 OG SER A 23 -14.553 10.248 -5.386 1.00 1.36 O ATOM 0 H SER A 23 -16.200 6.723 -5.151 1.00 0.41 H new ATOM 0 HA SER A 23 -13.858 7.924 -6.364 1.00 0.47 H new ATOM 0 HB2 SER A 23 -16.063 9.067 -6.135 1.00 0.52 H new ATOM 0 HB3 SER A 23 -15.878 9.026 -4.393 1.00 0.52 H new ATOM 0 HG SER A 23 -13.678 10.088 -4.975 1.00 1.36 H new ATOM 341 N ASP A 24 -13.841 6.669 -3.451 1.00 0.31 N ATOM 342 CA ASP A 24 -13.053 6.332 -2.304 1.00 0.34 C ATOM 343 C ASP A 24 -12.134 5.191 -2.656 1.00 0.35 C ATOM 344 O ASP A 24 -10.941 5.198 -2.368 1.00 0.53 O ATOM 345 CB ASP A 24 -13.954 5.890 -1.164 1.00 0.36 C ATOM 346 CG ASP A 24 -14.879 6.983 -0.677 1.00 0.86 C ATOM 347 OD1 ASP A 24 -15.885 6.674 -0.002 1.00 1.27 O ATOM 348 OD2 ASP A 24 -14.604 8.162 -0.977 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.662 6.077 -3.578 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.479 7.207 -1.998 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.550 5.037 -1.490 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.337 5.548 -0.333 1.00 0.36 H new ATOM 353 N VAL A 25 -12.727 4.231 -3.329 1.00 0.22 N ATOM 354 CA VAL A 25 -12.128 2.940 -3.546 1.00 0.20 C ATOM 355 C VAL A 25 -11.246 2.896 -4.778 1.00 0.22 C ATOM 356 O VAL A 25 -10.097 2.484 -4.706 1.00 0.23 O ATOM 357 CB VAL A 25 -13.220 1.861 -3.667 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.653 0.540 -4.144 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.933 1.680 -2.350 1.00 0.85 C ATOM 0 H VAL A 25 -13.653 4.330 -3.746 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.494 2.745 -2.681 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.937 2.203 -4.414 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.455 -0.195 -4.216 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.194 0.674 -5.123 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.902 0.189 -3.436 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.701 0.914 -2.454 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.217 1.374 -1.587 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.397 2.621 -2.055 1.00 0.85 H new ATOM 369 N ASP A 26 -11.798 3.303 -5.903 1.00 0.25 N ATOM 370 CA ASP A 26 -11.119 3.182 -7.187 1.00 0.27 C ATOM 371 C ASP A 26 -9.766 3.885 -7.176 1.00 0.23 C ATOM 372 O ASP A 26 -8.764 3.291 -7.539 1.00 0.22 O ATOM 373 CB ASP A 26 -11.985 3.730 -8.321 1.00 0.32 C ATOM 374 CG ASP A 26 -11.256 3.752 -9.649 1.00 0.39 C ATOM 375 OD1 ASP A 26 -11.042 2.670 -10.228 1.00 0.51 O ATOM 376 OD2 ASP A 26 -10.902 4.851 -10.122 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.725 3.725 -5.958 1.00 0.25 H new ATOM 0 HA ASP A 26 -10.948 2.119 -7.359 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -12.884 3.121 -8.414 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.309 4.740 -8.071 1.00 0.32 H new ATOM 381 N ASP A 27 -9.741 5.136 -6.732 1.00 0.22 N ATOM 382 CA ASP A 27 -8.501 5.903 -6.658 1.00 0.21 C ATOM 383 C ASP A 27 -7.598 5.310 -5.615 1.00 0.16 C ATOM 384 O ASP A 27 -6.385 5.270 -5.790 1.00 0.16 O ATOM 385 CB ASP A 27 -8.748 7.368 -6.299 1.00 0.24 C ATOM 386 CG ASP A 27 -9.246 8.190 -7.466 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.462 8.471 -7.521 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.434 8.536 -8.351 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.568 5.643 -6.417 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.041 5.860 -7.645 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.476 7.419 -5.489 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -7.823 7.805 -5.924 1.00 0.24 H new ATOM 393 N PHE A 28 -8.201 4.852 -4.525 1.00 0.13 N ATOM 394 CA PHE A 28 -7.451 4.168 -3.499 1.00 0.10 C ATOM 395 C PHE A 28 -6.718 3.031 -4.143 1.00 0.10 C ATOM 396 O PHE A 28 -5.504 3.017 -4.215 1.00 0.09 O ATOM 397 CB PHE A 28 -8.347 3.599 -2.394 1.00 0.09 C ATOM 398 CG PHE A 28 -7.580 2.752 -1.435 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.897 3.329 -0.391 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.507 1.386 -1.601 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.152 2.563 0.469 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.767 0.618 -0.746 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.082 1.196 0.288 1.00 0.08 C ATOM 0 H PHE A 28 -9.199 4.944 -4.336 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.775 4.889 -3.038 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.822 4.418 -1.855 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.145 3.007 -2.843 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -6.948 4.398 -0.246 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.040 0.917 -2.415 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.621 3.028 1.286 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -6.723 -0.452 -0.887 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.491 0.588 0.957 1.00 0.08 H new ATOM 413 N ASN A 29 -7.507 2.125 -4.670 1.00 0.12 N ATOM 414 CA ASN A 29 -7.025 0.903 -5.298 1.00 0.13 C ATOM 415 C ASN A 29 -6.072 1.203 -6.413 1.00 0.13 C ATOM 416 O ASN A 29 -5.143 0.451 -6.662 1.00 0.14 O ATOM 417 CB ASN A 29 -8.213 0.122 -5.868 1.00 0.19 C ATOM 418 CG ASN A 29 -8.877 -0.767 -4.858 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.623 -1.966 -4.792 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.713 -0.176 -4.042 1.00 0.23 N ATOM 0 H ASN A 29 -8.523 2.212 -4.678 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.505 0.317 -4.540 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -8.947 0.826 -6.261 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.872 -0.484 -6.707 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -10.183 -0.715 -3.315 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.894 0.824 -4.133 1.00 0.23 H new ATOM 427 N THR A 30 -6.300 2.303 -7.065 1.00 0.13 N ATOM 428 CA THR A 30 -5.544 2.642 -8.221 1.00 0.14 C ATOM 429 C THR A 30 -4.201 3.202 -7.846 1.00 0.12 C ATOM 430 O THR A 30 -3.178 2.793 -8.384 1.00 0.12 O ATOM 431 CB THR A 30 -6.300 3.653 -9.067 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.381 3.011 -9.756 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.376 4.331 -10.049 1.00 0.17 C ATOM 0 H THR A 30 -7.014 2.985 -6.808 1.00 0.13 H new ATOM 0 HA THR A 30 -5.390 1.730 -8.798 1.00 0.14 H new ATOM 0 HB THR A 30 -6.709 4.417 -8.406 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.190 3.052 -9.205 1.00 0.20 H new ATOM 0 HG21 THR A 30 -5.940 5.050 -10.643 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.586 4.850 -9.506 1.00 0.17 H new ATOM 0 HG23 THR A 30 -4.934 3.584 -10.708 1.00 0.17 H new ATOM 441 N LEU A 31 -4.207 4.117 -6.903 1.00 0.12 N ATOM 442 CA LEU A 31 -2.998 4.731 -6.454 1.00 0.12 C ATOM 443 C LEU A 31 -2.216 3.683 -5.716 1.00 0.11 C ATOM 444 O LEU A 31 -1.006 3.623 -5.778 1.00 0.12 O ATOM 445 CB LEU A 31 -3.340 5.908 -5.554 1.00 0.14 C ATOM 446 CG LEU A 31 -2.173 6.832 -5.228 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.454 7.260 -6.497 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.680 8.042 -4.484 1.00 0.53 C ATOM 0 H LEU A 31 -5.050 4.449 -6.434 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.404 5.113 -7.284 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.125 6.494 -6.031 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.751 5.524 -4.620 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.463 6.293 -4.601 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.625 7.919 -6.241 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.072 6.379 -7.013 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.150 7.789 -7.149 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -1.845 8.702 -4.251 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.402 8.574 -5.104 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.161 7.725 -3.559 1.00 0.53 H new ATOM 460 N TYR A 32 -2.973 2.813 -5.092 1.00 0.09 N ATOM 461 CA TYR A 32 -2.468 1.668 -4.371 1.00 0.07 C ATOM 462 C TYR A 32 -1.784 0.702 -5.318 1.00 0.08 C ATOM 463 O TYR A 32 -0.668 0.258 -5.072 1.00 0.08 O ATOM 464 CB TYR A 32 -3.669 1.026 -3.729 1.00 0.07 C ATOM 465 CG TYR A 32 -3.457 -0.336 -3.155 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.988 -0.510 -1.870 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.769 -1.450 -3.903 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.822 -1.771 -1.344 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.607 -2.710 -3.393 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.131 -2.874 -2.113 1.00 0.08 C ATOM 471 OH TYR A 32 -2.967 -4.143 -1.610 1.00 0.15 O ATOM 0 H TYR A 32 -3.990 2.884 -5.071 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.726 1.957 -3.627 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -4.025 1.682 -2.934 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.464 0.965 -4.472 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.748 0.354 -1.269 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.147 -1.327 -4.907 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.453 -1.896 -0.337 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.852 -3.573 -3.994 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.234 -4.800 -2.286 1.00 0.15 H new ATOM 481 N ASP A 33 -2.470 0.412 -6.414 1.00 0.10 N ATOM 482 CA ASP A 33 -1.947 -0.451 -7.458 1.00 0.11 C ATOM 483 C ASP A 33 -0.742 0.206 -8.065 1.00 0.09 C ATOM 484 O ASP A 33 0.157 -0.435 -8.599 1.00 0.11 O ATOM 485 CB ASP A 33 -2.986 -0.659 -8.557 1.00 0.16 C ATOM 486 CG ASP A 33 -3.670 -2.012 -8.476 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.459 -2.232 -7.531 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.428 -2.864 -9.356 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.406 0.770 -6.603 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.691 -1.416 -7.021 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.738 0.127 -8.492 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.504 -0.559 -9.529 1.00 0.16 H new ATOM 493 N ALA A 34 -0.763 1.508 -7.951 1.00 0.08 N ATOM 494 CA ALA A 34 0.226 2.370 -8.540 1.00 0.09 C ATOM 495 C ALA A 34 1.530 2.328 -7.772 1.00 0.08 C ATOM 496 O ALA A 34 2.607 2.441 -8.361 1.00 0.09 O ATOM 497 CB ALA A 34 -0.309 3.770 -8.560 1.00 0.10 C ATOM 0 H ALA A 34 -1.485 2.009 -7.434 1.00 0.08 H new ATOM 0 HA ALA A 34 0.432 2.026 -9.554 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.431 4.436 -9.004 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.225 3.801 -9.149 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.522 4.093 -7.541 1.00 0.10 H new ATOM 503 N PHE A 35 1.431 2.162 -6.448 1.00 0.06 N ATOM 504 CA PHE A 35 2.612 2.035 -5.606 1.00 0.06 C ATOM 505 C PHE A 35 3.360 0.813 -6.007 1.00 0.06 C ATOM 506 O PHE A 35 4.516 0.648 -5.690 1.00 0.08 O ATOM 507 CB PHE A 35 2.244 1.859 -4.154 1.00 0.05 C ATOM 508 CG PHE A 35 1.826 3.098 -3.470 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.687 3.761 -2.627 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.569 3.593 -3.673 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.291 4.914 -1.999 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.159 4.744 -3.057 1.00 0.06 C ATOM 513 CZ PHE A 35 1.025 5.411 -2.218 1.00 0.06 C ATOM 0 H PHE A 35 0.546 2.113 -5.944 1.00 0.06 H new ATOM 0 HA PHE A 35 3.202 2.943 -5.729 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.436 1.131 -4.084 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.099 1.439 -3.625 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.680 3.372 -2.459 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.110 3.069 -4.329 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.969 5.430 -1.335 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.836 5.127 -3.227 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.711 6.323 -1.732 1.00 0.06 H new ATOM 523 N TYR A 36 2.657 -0.065 -6.659 1.00 0.06 N ATOM 524 CA TYR A 36 3.242 -1.256 -7.166 1.00 0.06 C ATOM 525 C TYR A 36 3.615 -1.057 -8.605 1.00 0.08 C ATOM 526 O TYR A 36 2.823 -0.604 -9.431 1.00 0.11 O ATOM 527 CB TYR A 36 2.297 -2.427 -7.029 1.00 0.07 C ATOM 528 CG TYR A 36 1.877 -2.718 -5.619 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.748 -3.333 -4.740 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.601 -2.412 -5.181 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.356 -3.641 -3.455 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.201 -2.706 -3.899 1.00 0.08 C ATOM 533 CZ TYR A 36 1.077 -3.323 -3.039 1.00 0.07 C ATOM 534 OH TYR A 36 0.672 -3.631 -1.762 1.00 0.11 O ATOM 0 H TYR A 36 1.660 0.031 -6.851 1.00 0.06 H new ATOM 0 HA TYR A 36 4.137 -1.479 -6.585 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.407 -2.233 -7.628 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.774 -3.315 -7.444 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.749 -3.576 -5.064 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.092 -1.934 -5.857 1.00 0.07 H new ATOM 0 HE1 TYR A 36 3.043 -4.127 -2.778 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.796 -2.453 -3.570 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.254 -3.338 -1.633 1.00 0.11 H new ATOM 544 N THR A 37 4.848 -1.373 -8.869 1.00 0.08 N ATOM 545 CA THR A 37 5.413 -1.256 -10.205 1.00 0.11 C ATOM 546 C THR A 37 4.670 -2.163 -11.179 1.00 0.14 C ATOM 547 O THR A 37 4.610 -1.904 -12.385 1.00 0.17 O ATOM 548 CB THR A 37 6.903 -1.628 -10.212 1.00 0.12 C ATOM 549 OG1 THR A 37 7.059 -3.053 -10.198 1.00 0.14 O ATOM 550 CG2 THR A 37 7.581 -1.067 -8.992 1.00 0.11 C ATOM 0 H THR A 37 5.503 -1.722 -8.169 1.00 0.08 H new ATOM 0 HA THR A 37 5.306 -0.217 -10.516 1.00 0.11 H new ATOM 0 HB THR A 37 7.352 -1.214 -11.115 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.013 -3.278 -10.204 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.637 -1.336 -9.006 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.483 0.019 -8.988 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.114 -1.476 -8.096 1.00 0.11 H new ATOM 558 N ASN A 38 4.107 -3.227 -10.634 1.00 0.15 N ATOM 559 CA ASN A 38 3.347 -4.190 -11.403 1.00 0.26 C ATOM 560 C ASN A 38 2.110 -4.574 -10.613 1.00 0.29 C ATOM 561 O ASN A 38 2.078 -4.422 -9.392 1.00 0.71 O ATOM 562 CB ASN A 38 4.205 -5.431 -11.715 1.00 0.38 C ATOM 563 CG ASN A 38 4.783 -6.112 -10.475 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.188 -6.110 -9.400 1.00 1.52 O ATOM 565 ND2 ASN A 38 5.954 -6.708 -10.621 1.00 0.99 N ATOM 0 H ASN A 38 4.166 -3.446 -9.640 1.00 0.15 H new ATOM 0 HA ASN A 38 3.049 -3.749 -12.354 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.598 -6.151 -12.264 1.00 0.38 H new ATOM 0 HB3 ASN A 38 5.024 -5.138 -12.372 1.00 0.38 H new ATOM 0 HD21 ASN A 38 6.387 -7.183 -9.829 1.00 0.99 H new ATOM 0 HD22 ASN A 38 6.425 -6.693 -11.526 1.00 0.99 H new ATOM 572 N SER A 39 1.090 -5.066 -11.293 1.00 0.33 N ATOM 573 CA SER A 39 -0.135 -5.450 -10.617 1.00 0.28 C ATOM 574 C SER A 39 0.022 -6.793 -9.910 1.00 0.22 C ATOM 575 O SER A 39 -0.934 -7.318 -9.336 1.00 0.24 O ATOM 576 CB SER A 39 -1.307 -5.481 -11.591 1.00 0.35 C ATOM 577 OG SER A 39 -0.953 -6.125 -12.805 1.00 0.36 O ATOM 0 H SER A 39 1.085 -5.208 -12.303 1.00 0.33 H new ATOM 0 HA SER A 39 -0.346 -4.697 -9.857 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.149 -6.001 -11.134 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.636 -4.463 -11.800 1.00 0.35 H new ATOM 0 HG SER A 39 -1.725 -6.131 -13.409 1.00 0.36 H new ATOM 583 N ASN A 40 1.232 -7.347 -9.951 1.00 0.20 N ATOM 584 CA ASN A 40 1.558 -8.508 -9.136 1.00 0.20 C ATOM 585 C ASN A 40 1.798 -8.048 -7.711 1.00 0.16 C ATOM 586 O ASN A 40 1.715 -8.827 -6.759 1.00 0.18 O ATOM 587 CB ASN A 40 2.798 -9.239 -9.651 1.00 0.26 C ATOM 588 CG ASN A 40 2.659 -9.721 -11.083 1.00 0.43 C ATOM 589 OD1 ASN A 40 1.560 -10.016 -11.551 1.00 1.09 O ATOM 590 ND2 ASN A 40 3.776 -9.821 -11.783 1.00 1.15 N ATOM 0 H ASN A 40 1.996 -7.011 -10.537 1.00 0.20 H new ATOM 0 HA ASN A 40 0.722 -9.206 -9.184 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.659 -8.574 -9.581 1.00 0.26 H new ATOM 0 HB3 ASN A 40 3.002 -10.093 -9.006 1.00 0.26 H new ATOM 0 HD21 ASN A 40 3.746 -10.153 -12.747 1.00 1.15 H new ATOM 0 HD22 ASN A 40 4.668 -9.567 -11.359 1.00 1.15 H new ATOM 597 N LYS A 41 2.058 -6.735 -7.598 1.00 0.13 N ATOM 598 CA LYS A 41 2.242 -6.059 -6.331 1.00 0.11 C ATOM 599 C LYS A 41 3.307 -6.742 -5.514 1.00 0.11 C ATOM 600 O LYS A 41 3.203 -6.906 -4.302 1.00 0.12 O ATOM 601 CB LYS A 41 0.896 -5.958 -5.657 1.00 0.11 C ATOM 602 CG LYS A 41 -0.137 -5.454 -6.631 1.00 0.13 C ATOM 603 CD LYS A 41 -1.519 -5.654 -6.110 1.00 0.17 C ATOM 604 CE LYS A 41 -2.192 -4.335 -5.910 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.673 -4.472 -5.867 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.145 -6.116 -8.404 1.00 0.13 H new ATOM 0 HA LYS A 41 2.613 -5.043 -6.467 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.599 -6.934 -5.273 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.959 -5.285 -4.802 1.00 0.11 H new ATOM 0 HG2 LYS A 41 0.030 -4.395 -6.825 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.026 -5.974 -7.583 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.094 -6.262 -6.809 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.484 -6.199 -5.167 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.841 -3.885 -4.981 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.913 -3.658 -6.717 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.071 -3.740 -5.245 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.060 -4.360 -6.826 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -3.924 -5.412 -5.500 1.00 0.66 H new ATOM 619 N THR A 42 4.347 -7.103 -6.238 1.00 0.11 N ATOM 620 CA THR A 42 5.525 -7.742 -5.700 1.00 0.12 C ATOM 621 C THR A 42 6.652 -6.733 -5.612 1.00 0.10 C ATOM 622 O THR A 42 7.721 -6.995 -5.065 1.00 0.13 O ATOM 623 CB THR A 42 5.929 -8.880 -6.630 1.00 0.16 C ATOM 624 OG1 THR A 42 6.081 -8.389 -7.970 1.00 0.18 O ATOM 625 CG2 THR A 42 4.857 -9.935 -6.591 1.00 0.21 C ATOM 0 H THR A 42 4.395 -6.954 -7.246 1.00 0.11 H new ATOM 0 HA THR A 42 5.317 -8.132 -4.704 1.00 0.12 H new ATOM 0 HB THR A 42 6.880 -9.303 -6.305 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.342 -9.126 -8.561 1.00 0.18 H new ATOM 0 HG21 THR A 42 5.131 -10.757 -7.252 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.751 -10.308 -5.572 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.911 -9.505 -6.920 1.00 0.21 H new ATOM 633 N ALA A 43 6.367 -5.557 -6.140 1.00 0.09 N ATOM 634 CA ALA A 43 7.364 -4.536 -6.343 1.00 0.09 C ATOM 635 C ALA A 43 6.709 -3.174 -6.285 1.00 0.07 C ATOM 636 O ALA A 43 5.571 -3.010 -6.712 1.00 0.09 O ATOM 637 CB ALA A 43 8.040 -4.751 -7.678 1.00 0.10 C ATOM 0 H ALA A 43 5.430 -5.287 -6.440 1.00 0.09 H new ATOM 0 HA ALA A 43 8.119 -4.592 -5.559 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.794 -3.979 -7.832 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.516 -5.731 -7.691 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.298 -4.697 -8.474 1.00 0.10 H new ATOM 643 N LEU A 44 7.424 -2.208 -5.743 1.00 0.06 N ATOM 644 CA LEU A 44 6.865 -0.908 -5.475 1.00 0.06 C ATOM 645 C LEU A 44 7.586 0.248 -6.146 1.00 0.08 C ATOM 646 O LEU A 44 8.818 0.327 -6.173 1.00 0.09 O ATOM 647 CB LEU A 44 6.851 -0.709 -3.988 1.00 0.06 C ATOM 648 CG LEU A 44 5.820 -1.555 -3.289 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.458 -2.453 -2.268 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.858 -0.659 -2.617 1.00 0.05 C ATOM 0 H LEU A 44 8.404 -2.306 -5.479 1.00 0.06 H new ATOM 0 HA LEU A 44 5.862 -0.898 -5.902 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.837 -0.943 -3.587 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.659 0.342 -3.770 1.00 0.06 H new ATOM 0 HG LEU A 44 5.317 -2.182 -4.025 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.690 -3.052 -1.779 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.174 -3.112 -2.760 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.974 -1.848 -1.523 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.103 -1.255 -2.105 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.384 -0.038 -1.892 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.376 -0.021 -3.358 1.00 0.05 H new ATOM 662 N LYS A 45 6.771 1.150 -6.665 1.00 0.10 N ATOM 663 CA LYS A 45 7.211 2.370 -7.271 1.00 0.12 C ATOM 664 C LYS A 45 7.437 3.390 -6.213 1.00 0.12 C ATOM 665 O LYS A 45 6.605 3.617 -5.341 1.00 0.14 O ATOM 666 CB LYS A 45 6.185 2.893 -8.256 1.00 0.15 C ATOM 667 CG LYS A 45 6.401 2.415 -9.671 1.00 0.26 C ATOM 668 CD LYS A 45 7.675 2.973 -10.288 1.00 1.23 C ATOM 669 CE LYS A 45 7.477 4.392 -10.801 1.00 1.55 C ATOM 670 NZ LYS A 45 6.505 4.454 -11.925 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.757 1.039 -6.671 1.00 0.10 H new ATOM 0 HA LYS A 45 8.137 2.171 -7.810 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.191 2.589 -7.927 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.205 3.983 -8.243 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.444 1.326 -9.680 1.00 0.26 H new ATOM 0 HG3 LYS A 45 5.547 2.706 -10.283 1.00 0.26 H new ATOM 0 HD2 LYS A 45 8.474 2.962 -9.546 1.00 1.23 H new ATOM 0 HD3 LYS A 45 7.994 2.330 -11.109 1.00 1.23 H new ATOM 0 HE2 LYS A 45 7.128 5.026 -9.986 1.00 1.55 H new ATOM 0 HE3 LYS A 45 8.435 4.795 -11.129 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 6.667 5.320 -12.477 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 6.630 3.624 -12.539 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 5.536 4.461 -11.546 1.00 1.95 H new ATOM 684 N ASN A 46 8.535 4.035 -6.355 1.00 0.15 N ATOM 685 CA ASN A 46 9.098 4.823 -5.286 1.00 0.15 C ATOM 686 C ASN A 46 8.562 6.249 -5.297 1.00 0.14 C ATOM 687 O ASN A 46 8.535 6.919 -4.265 1.00 0.17 O ATOM 688 CB ASN A 46 10.607 4.785 -5.425 1.00 0.22 C ATOM 689 CG ASN A 46 11.307 4.938 -4.124 1.00 0.62 C ATOM 690 OD1 ASN A 46 11.601 3.814 -3.535 1.00 1.78 O flip ATOM 691 ND2 ASN A 46 11.595 6.041 -3.665 1.00 0.54 N flip ATOM 0 H ASN A 46 9.083 4.041 -7.215 1.00 0.15 H new ATOM 0 HA ASN A 46 8.807 4.405 -4.322 1.00 0.15 H new ATOM 0 HB2 ASN A 46 10.902 3.841 -5.883 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.926 5.579 -6.100 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.338 6.888 -4.173 1.00 0.54 H new ATOM 0 HD22 ASN A 46 12.091 6.110 -2.776 1.00 0.54 H new ATOM 698 N SER A 47 8.117 6.703 -6.458 1.00 0.14 N ATOM 699 CA SER A 47 7.508 8.019 -6.574 1.00 0.16 C ATOM 700 C SER A 47 6.109 8.010 -5.956 1.00 0.13 C ATOM 701 O SER A 47 5.607 9.042 -5.507 1.00 0.17 O ATOM 702 CB SER A 47 7.447 8.447 -8.045 1.00 0.21 C ATOM 703 OG SER A 47 6.977 9.778 -8.181 1.00 1.32 O ATOM 0 H SER A 47 8.166 6.180 -7.333 1.00 0.14 H new ATOM 0 HA SER A 47 8.120 8.740 -6.031 1.00 0.16 H new ATOM 0 HB2 SER A 47 8.438 8.363 -8.491 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.792 7.771 -8.595 1.00 0.21 H new ATOM 0 HG SER A 47 6.951 10.021 -9.130 1.00 1.32 H new ATOM 709 N GLN A 48 5.492 6.829 -5.908 1.00 0.10 N ATOM 710 CA GLN A 48 4.174 6.675 -5.327 1.00 0.10 C ATOM 711 C GLN A 48 4.205 6.896 -3.837 1.00 0.09 C ATOM 712 O GLN A 48 3.202 7.265 -3.249 1.00 0.10 O ATOM 713 CB GLN A 48 3.674 5.285 -5.615 1.00 0.13 C ATOM 714 CG GLN A 48 3.688 4.953 -7.086 1.00 0.15 C ATOM 715 CD GLN A 48 2.727 5.805 -7.891 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.622 6.202 -7.282 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 2.975 6.099 -9.058 1.00 0.49 N flip ATOM 0 H GLN A 48 5.894 5.964 -6.269 1.00 0.10 H new ATOM 0 HA GLN A 48 3.510 7.419 -5.767 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.290 4.564 -5.078 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.658 5.183 -5.234 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.698 5.087 -7.474 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.433 3.902 -7.219 1.00 0.15 H new ATOM 0 HE21 GLN A 48 3.838 5.774 -9.493 1.00 0.49 H new ATOM 0 HE22 GLN A 48 2.318 6.668 -9.591 1.00 0.49 H new ATOM 726 N PHE A 49 5.364 6.685 -3.237 1.00 0.09 N ATOM 727 CA PHE A 49 5.518 6.809 -1.793 1.00 0.09 C ATOM 728 C PHE A 49 5.052 8.178 -1.306 1.00 0.11 C ATOM 729 O PHE A 49 4.651 8.346 -0.156 1.00 0.13 O ATOM 730 CB PHE A 49 6.966 6.614 -1.370 1.00 0.09 C ATOM 731 CG PHE A 49 7.532 5.248 -1.599 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.692 4.893 -0.958 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.918 4.322 -2.425 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.240 3.651 -1.120 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.470 3.063 -2.599 1.00 0.11 C ATOM 736 CZ PHE A 49 8.633 2.729 -1.942 1.00 0.07 C ATOM 0 H PHE A 49 6.219 6.425 -3.729 1.00 0.09 H new ATOM 0 HA PHE A 49 4.902 6.030 -1.345 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.582 7.337 -1.906 1.00 0.09 H new ATOM 0 HB3 PHE A 49 7.050 6.848 -0.309 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.181 5.608 -0.313 1.00 0.10 H new ATOM 0 HD2 PHE A 49 6.003 4.582 -2.937 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.152 3.393 -0.602 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.989 2.346 -3.248 1.00 0.11 H new ATOM 0 HZ PHE A 49 9.067 1.748 -2.071 1.00 0.07 H new ATOM 746 N ASP A 50 5.099 9.142 -2.211 1.00 0.11 N ATOM 747 CA ASP A 50 4.684 10.510 -1.935 1.00 0.15 C ATOM 748 C ASP A 50 3.195 10.556 -1.656 1.00 0.15 C ATOM 749 O ASP A 50 2.699 11.398 -0.914 1.00 0.20 O ATOM 750 CB ASP A 50 5.006 11.367 -3.151 1.00 0.19 C ATOM 751 CG ASP A 50 4.463 12.778 -3.049 1.00 0.29 C ATOM 752 OD1 ASP A 50 3.564 13.135 -3.833 1.00 0.41 O ATOM 753 OD2 ASP A 50 4.926 13.531 -2.161 1.00 0.36 O1- ATOM 0 H ASP A 50 5.429 8.997 -3.165 1.00 0.11 H new ATOM 0 HA ASP A 50 5.213 10.887 -1.060 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.087 11.410 -3.281 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.596 10.891 -4.042 1.00 0.19 H new ATOM 758 N LYS A 51 2.511 9.608 -2.260 1.00 0.11 N ATOM 759 CA LYS A 51 1.067 9.491 -2.206 1.00 0.11 C ATOM 760 C LYS A 51 0.653 8.482 -1.164 1.00 0.10 C ATOM 761 O LYS A 51 -0.485 8.069 -1.135 1.00 0.11 O ATOM 762 CB LYS A 51 0.565 9.011 -3.541 1.00 0.13 C ATOM 763 CG LYS A 51 1.501 9.332 -4.662 1.00 0.14 C ATOM 764 CD LYS A 51 0.840 10.199 -5.681 1.00 0.49 C ATOM 765 CE LYS A 51 1.831 10.672 -6.723 1.00 0.45 C ATOM 766 NZ LYS A 51 2.624 11.844 -6.255 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.954 8.878 -2.817 1.00 0.11 H new ATOM 0 HA LYS A 51 0.650 10.466 -1.955 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.411 7.933 -3.500 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.406 9.464 -3.743 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.385 9.835 -4.270 1.00 0.14 H new ATOM 0 HG3 LYS A 51 1.842 8.409 -5.131 1.00 0.14 H new ATOM 0 HD2 LYS A 51 0.035 9.646 -6.165 1.00 0.49 H new ATOM 0 HD3 LYS A 51 0.386 11.060 -5.190 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.507 9.855 -6.976 1.00 0.45 H new ATOM 0 HE3 LYS A 51 1.297 10.938 -7.635 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 3.595 11.774 -6.620 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 2.186 12.721 -6.602 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 2.645 11.856 -5.215 1.00 1.47 H new ATOM 780 N LEU A 52 1.585 8.011 -0.370 1.00 0.09 N ATOM 781 CA LEU A 52 1.238 7.057 0.666 1.00 0.08 C ATOM 782 C LEU A 52 0.310 7.687 1.703 1.00 0.09 C ATOM 783 O LEU A 52 -0.621 7.041 2.181 1.00 0.09 O ATOM 784 CB LEU A 52 2.484 6.500 1.323 1.00 0.08 C ATOM 785 CG LEU A 52 2.343 5.105 1.895 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.445 5.163 3.387 1.00 0.07 C ATOM 787 CD2 LEU A 52 1.046 4.433 1.458 1.00 0.08 C ATOM 0 H LEU A 52 2.572 8.264 -0.416 1.00 0.09 H new ATOM 0 HA LEU A 52 0.704 6.231 0.197 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.291 6.495 0.590 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.786 7.175 2.124 1.00 0.08 H new ATOM 0 HG LEU A 52 3.155 4.493 1.503 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.343 4.159 3.798 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.414 5.574 3.670 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.652 5.798 3.781 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.989 3.435 1.893 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.197 5.026 1.798 1.00 0.08 H new ATOM 0 HD23 LEU A 52 1.024 4.357 0.371 1.00 0.08 H new ATOM 799 N SER A 53 0.543 8.949 2.032 1.00 0.10 N ATOM 800 CA SER A 53 -0.379 9.678 2.891 1.00 0.11 C ATOM 801 C SER A 53 -1.680 9.931 2.132 1.00 0.11 C ATOM 802 O SER A 53 -2.738 10.134 2.719 1.00 0.13 O ATOM 803 CB SER A 53 0.248 10.995 3.346 1.00 0.14 C ATOM 804 OG SER A 53 1.508 10.772 3.960 1.00 1.25 O ATOM 0 H SER A 53 1.353 9.485 1.721 1.00 0.10 H new ATOM 0 HA SER A 53 -0.595 9.085 3.780 1.00 0.11 H new ATOM 0 HB2 SER A 53 0.369 11.659 2.490 1.00 0.14 H new ATOM 0 HB3 SER A 53 -0.419 11.496 4.047 1.00 0.14 H new ATOM 0 HG SER A 53 1.891 11.629 4.241 1.00 1.25 H new ATOM 810 N GLN A 54 -1.571 9.890 0.813 1.00 0.10 N ATOM 811 CA GLN A 54 -2.690 10.017 -0.086 1.00 0.11 C ATOM 812 C GLN A 54 -3.468 8.707 -0.147 1.00 0.09 C ATOM 813 O GLN A 54 -4.683 8.697 -0.199 1.00 0.10 O ATOM 814 CB GLN A 54 -2.155 10.393 -1.449 1.00 0.12 C ATOM 815 CG GLN A 54 -3.206 10.583 -2.505 1.00 0.17 C ATOM 816 CD GLN A 54 -2.960 11.812 -3.353 1.00 0.69 C ATOM 817 OE1 GLN A 54 -2.400 12.802 -2.889 1.00 1.24 O ATOM 818 NE2 GLN A 54 -3.356 11.748 -4.613 1.00 0.70 N ATOM 0 H GLN A 54 -0.679 9.764 0.335 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.375 10.789 0.265 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.581 11.315 -1.357 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.463 9.618 -1.779 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.235 9.703 -3.147 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.184 10.663 -2.030 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -3.818 10.907 -4.960 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -3.200 12.539 -5.238 1.00 0.70 H new ATOM 827 N LEU A 55 -2.740 7.608 -0.127 1.00 0.08 N ATOM 828 CA LEU A 55 -3.297 6.280 -0.067 1.00 0.07 C ATOM 829 C LEU A 55 -3.949 6.097 1.284 1.00 0.07 C ATOM 830 O LEU A 55 -4.916 5.357 1.437 1.00 0.08 O ATOM 831 CB LEU A 55 -2.164 5.283 -0.280 1.00 0.06 C ATOM 832 CG LEU A 55 -2.489 4.071 -1.142 1.00 0.06 C ATOM 833 CD1 LEU A 55 -2.975 2.921 -0.283 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.523 4.420 -2.202 1.00 0.10 C ATOM 0 H LEU A 55 -1.720 7.619 -0.153 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.052 6.122 -0.837 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.324 5.810 -0.733 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.830 4.930 0.696 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.575 3.761 -1.649 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.202 2.064 -0.917 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.199 2.648 0.432 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.874 3.223 0.255 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.738 3.538 -2.805 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.438 4.761 -1.719 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -3.134 5.211 -2.843 1.00 0.10 H new ATOM 846 N LYS A 56 -3.421 6.821 2.258 1.00 0.07 N ATOM 847 CA LYS A 56 -4.014 6.869 3.577 1.00 0.08 C ATOM 848 C LYS A 56 -5.224 7.761 3.525 1.00 0.09 C ATOM 849 O LYS A 56 -6.191 7.566 4.235 1.00 0.12 O ATOM 850 CB LYS A 56 -3.020 7.412 4.603 1.00 0.10 C ATOM 851 CG LYS A 56 -3.485 7.275 6.045 1.00 0.11 C ATOM 852 CD LYS A 56 -4.539 6.191 6.194 1.00 0.11 C ATOM 853 CE LYS A 56 -4.894 5.947 7.647 1.00 0.20 C ATOM 854 NZ LYS A 56 -5.544 7.136 8.268 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.578 7.385 2.155 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.296 5.861 3.880 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -2.071 6.889 4.487 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.832 8.465 4.391 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.632 7.043 6.682 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.890 8.227 6.389 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.435 6.478 5.644 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.174 5.265 5.749 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.563 5.089 7.718 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.992 5.695 8.204 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -5.937 6.873 9.194 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -4.840 7.891 8.393 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -6.309 7.475 7.651 1.00 0.82 H new ATOM 868 N THR A 57 -5.146 8.728 2.654 1.00 0.09 N ATOM 869 CA THR A 57 -6.201 9.666 2.438 1.00 0.10 C ATOM 870 C THR A 57 -7.365 8.976 1.753 1.00 0.09 C ATOM 871 O THR A 57 -8.516 9.217 2.068 1.00 0.11 O ATOM 872 CB THR A 57 -5.669 10.831 1.594 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.547 12.024 2.374 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.520 11.072 0.375 1.00 0.12 C ATOM 0 H THR A 57 -4.329 8.885 2.065 1.00 0.09 H new ATOM 0 HA THR A 57 -6.557 10.060 3.390 1.00 0.10 H new ATOM 0 HB THR A 57 -4.674 10.549 1.250 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.204 12.749 1.811 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.110 11.905 -0.196 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.529 10.176 -0.246 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.538 11.310 0.683 1.00 0.12 H new ATOM 882 N LEU A 58 -7.034 8.110 0.815 1.00 0.09 N ATOM 883 CA LEU A 58 -8.002 7.329 0.104 1.00 0.09 C ATOM 884 C LEU A 58 -8.578 6.261 0.994 1.00 0.09 C ATOM 885 O LEU A 58 -9.768 6.015 0.979 1.00 0.12 O ATOM 886 CB LEU A 58 -7.301 6.753 -1.095 1.00 0.11 C ATOM 887 CG LEU A 58 -6.793 7.822 -2.033 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.580 7.324 -2.787 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.906 8.267 -2.966 1.00 0.16 C ATOM 0 H LEU A 58 -6.071 7.934 0.529 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.846 7.938 -0.219 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.465 6.138 -0.763 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -7.986 6.097 -1.633 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.480 8.693 -1.457 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.224 8.104 -3.460 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.792 7.067 -2.079 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.849 6.441 -3.366 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.530 9.038 -3.639 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.254 7.415 -3.549 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.733 8.668 -2.380 1.00 0.16 H new ATOM 901 N LEU A 59 -7.727 5.643 1.779 1.00 0.07 N ATOM 902 CA LEU A 59 -8.178 4.753 2.832 1.00 0.07 C ATOM 903 C LEU A 59 -9.021 5.537 3.827 1.00 0.09 C ATOM 904 O LEU A 59 -9.997 5.042 4.358 1.00 0.11 O ATOM 905 CB LEU A 59 -6.966 4.152 3.531 1.00 0.07 C ATOM 906 CG LEU A 59 -7.201 2.824 4.236 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.252 3.023 5.715 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.490 2.198 3.792 1.00 0.08 C ATOM 0 H LEU A 59 -6.714 5.738 1.711 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.782 3.951 2.409 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.175 4.016 2.794 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.599 4.871 4.263 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.373 2.164 3.977 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.421 2.064 6.206 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.307 3.445 6.058 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -8.065 3.705 5.963 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.632 1.250 4.312 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.318 2.867 4.024 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.457 2.021 2.717 1.00 0.08 H new ATOM 920 N ASP A 60 -8.624 6.766 4.069 1.00 0.09 N ATOM 921 CA ASP A 60 -9.399 7.704 4.865 1.00 0.11 C ATOM 922 C ASP A 60 -10.724 7.982 4.192 1.00 0.12 C ATOM 923 O ASP A 60 -11.689 8.397 4.824 1.00 0.16 O ATOM 924 CB ASP A 60 -8.634 9.017 5.020 1.00 0.17 C ATOM 925 CG ASP A 60 -8.328 9.365 6.461 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.430 8.727 7.050 1.00 0.66 O ATOM 927 OD2 ASP A 60 -8.995 10.267 7.017 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.747 7.150 3.718 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.573 7.265 5.847 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.699 8.953 4.463 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.216 9.824 4.574 1.00 0.17 H new ATOM 932 N LYS A 61 -10.748 7.765 2.895 1.00 0.12 N ATOM 933 CA LYS A 61 -11.961 7.878 2.126 1.00 0.14 C ATOM 934 C LYS A 61 -12.774 6.614 2.264 1.00 0.12 C ATOM 935 O LYS A 61 -13.988 6.600 2.094 1.00 0.17 O ATOM 936 CB LYS A 61 -11.624 8.168 0.672 1.00 0.19 C ATOM 937 CG LYS A 61 -10.886 9.466 0.535 1.00 0.25 C ATOM 938 CD LYS A 61 -11.026 10.070 -0.850 1.00 0.39 C ATOM 939 CE LYS A 61 -10.277 11.388 -0.957 1.00 1.20 C ATOM 940 NZ LYS A 61 -10.720 12.368 0.073 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.927 7.506 2.348 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.560 8.706 2.504 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -11.018 7.357 0.268 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.541 8.204 0.084 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.260 10.173 1.276 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.830 9.305 0.753 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.644 9.371 -1.594 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -12.081 10.230 -1.074 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -9.208 11.207 -0.849 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -10.429 11.812 -1.950 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -10.354 13.312 -0.166 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -11.759 12.396 0.101 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -10.356 12.081 1.004 1.00 1.92 H new ATOM 954 N LEU A 62 -12.086 5.573 2.657 1.00 0.10 N ATOM 955 CA LEU A 62 -12.709 4.286 2.891 1.00 0.11 C ATOM 956 C LEU A 62 -13.198 4.270 4.300 1.00 0.12 C ATOM 957 O LEU A 62 -14.055 3.480 4.676 1.00 0.14 O ATOM 958 CB LEU A 62 -11.743 3.116 2.685 1.00 0.11 C ATOM 959 CG LEU A 62 -11.539 2.667 1.245 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.731 3.058 0.431 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.287 3.246 0.643 1.00 0.11 C ATOM 0 H LEU A 62 -11.080 5.588 2.825 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.520 4.161 2.173 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.774 3.393 3.099 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.105 2.265 3.262 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.425 1.583 1.243 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.588 2.738 -0.601 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.622 2.581 0.839 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.853 4.141 0.461 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.183 2.898 -0.385 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.348 4.334 0.653 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.422 2.925 1.224 1.00 0.11 H new ATOM 973 N GLU A 63 -12.577 5.125 5.081 1.00 0.11 N ATOM 974 CA GLU A 63 -12.932 5.315 6.461 1.00 0.14 C ATOM 975 C GLU A 63 -14.427 5.469 6.648 1.00 0.16 C ATOM 976 O GLU A 63 -15.082 6.236 5.942 1.00 0.20 O ATOM 977 CB GLU A 63 -12.213 6.518 7.029 1.00 0.16 C ATOM 978 CG GLU A 63 -10.931 6.159 7.740 1.00 0.17 C ATOM 979 CD GLU A 63 -10.497 7.185 8.762 1.00 0.85 C ATOM 980 OE1 GLU A 63 -9.278 7.430 8.882 1.00 1.29 O ATOM 981 OE2 GLU A 63 -11.372 7.794 9.403 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.804 5.712 4.768 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.622 4.420 7.000 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.991 7.216 6.222 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.875 7.035 7.724 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -11.058 5.196 8.235 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -10.138 6.036 7.002 1.00 0.17 H new ATOM 988 N GLY A 64 -14.957 4.718 7.592 1.00 0.18 N ATOM 989 CA GLY A 64 -16.373 4.741 7.841 1.00 0.20 C ATOM 990 C GLY A 64 -17.109 3.751 6.967 1.00 0.20 C ATOM 991 O GLY A 64 -18.297 3.499 7.158 1.00 0.26 O ATOM 0 H GLY A 64 -14.426 4.089 8.194 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.562 4.512 8.890 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.759 5.744 7.659 1.00 0.20 H new ATOM 995 N SER A 65 -16.402 3.199 5.989 1.00 0.16 N ATOM 996 CA SER A 65 -16.981 2.221 5.089 1.00 0.16 C ATOM 997 C SER A 65 -16.374 0.847 5.359 1.00 0.18 C ATOM 998 O SER A 65 -15.348 0.742 6.023 1.00 0.25 O ATOM 999 CB SER A 65 -16.729 2.652 3.648 1.00 0.19 C ATOM 1000 OG SER A 65 -16.825 4.060 3.522 1.00 0.27 O ATOM 0 H SER A 65 -15.423 3.416 5.802 1.00 0.16 H new ATOM 0 HA SER A 65 -18.057 2.157 5.254 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.740 2.320 3.332 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.452 2.173 2.988 1.00 0.19 H new ATOM 0 HG SER A 65 -15.993 4.474 3.834 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.996 -0.203 4.845 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.498 -1.562 5.060 1.00 0.22 C ATOM 1008 C ARG A 66 -15.202 -1.808 4.296 1.00 0.21 C ATOM 1009 O ARG A 66 -14.337 -2.567 4.735 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.543 -2.573 4.628 1.00 0.26 C ATOM 1011 CG ARG A 66 -17.722 -2.609 3.129 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.639 -3.726 2.688 1.00 0.47 C ATOM 1013 NE ARG A 66 -20.016 -3.524 3.134 1.00 1.46 N ATOM 1014 CZ ARG A 66 -20.835 -4.514 3.484 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -20.410 -5.770 3.460 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -22.078 -4.246 3.852 1.00 3.05 N ATOM 0 H ARG A 66 -17.842 -0.146 4.278 1.00 0.21 H new ATOM 0 HA ARG A 66 -16.294 -1.677 6.124 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -17.255 -3.563 4.981 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.496 -2.331 5.100 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -18.126 -1.655 2.791 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -16.750 -2.730 2.652 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -18.619 -3.801 1.601 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -18.268 -4.673 3.080 1.00 0.47 H new ATOM 0 HE ARG A 66 -20.371 -2.569 3.180 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -19.454 -5.979 3.173 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -21.039 -6.527 3.729 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -22.409 -3.281 3.867 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -22.705 -5.004 4.120 1.00 3.05 H new ATOM 1030 N GLU A 67 -15.081 -1.135 3.165 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.924 -1.254 2.289 1.00 0.18 C ATOM 1032 C GLU A 67 -12.686 -0.908 3.051 1.00 0.15 C ATOM 1033 O GLU A 67 -11.649 -1.532 2.905 1.00 0.14 O ATOM 1034 CB GLU A 67 -14.111 -0.289 1.148 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.169 -0.927 -0.197 1.00 0.33 C ATOM 1036 CD GLU A 67 -12.826 -1.373 -0.723 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -12.754 -2.475 -1.309 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -11.844 -0.624 -0.564 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.788 -0.484 2.824 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.828 -2.272 1.911 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -15.031 0.272 1.310 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.293 0.431 1.160 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -14.834 -1.789 -0.150 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.609 -0.223 -0.903 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.854 0.085 3.886 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.821 0.575 4.774 1.00 0.13 C ATOM 1047 C HIS A 68 -11.014 -0.518 5.395 1.00 0.14 C ATOM 1048 O HIS A 68 -9.828 -0.420 5.471 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.434 1.338 5.906 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.417 2.091 6.649 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.667 3.098 6.229 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -11.011 1.812 7.926 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.815 3.427 7.228 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -10.037 2.637 8.241 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.735 0.591 3.972 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.174 1.196 4.154 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.188 2.024 5.520 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.944 0.649 6.579 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.722 3.546 5.315 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.421 1.045 8.566 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -9.075 4.213 7.192 1.00 0.17 H new ATOM 1063 N THR A 69 -11.681 -1.511 5.887 1.00 0.15 N ATOM 1064 CA THR A 69 -11.025 -2.626 6.543 1.00 0.16 C ATOM 1065 C THR A 69 -10.012 -3.267 5.635 1.00 0.15 C ATOM 1066 O THR A 69 -8.835 -3.422 5.948 1.00 0.15 O ATOM 1067 CB THR A 69 -12.061 -3.679 6.843 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.989 -3.217 7.833 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.406 -4.974 7.262 1.00 0.21 C ATOM 0 H THR A 69 -12.698 -1.584 5.852 1.00 0.15 H new ATOM 0 HA THR A 69 -10.536 -2.252 7.443 1.00 0.16 H new ATOM 0 HB THR A 69 -12.623 -3.873 5.930 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.653 -3.916 8.010 1.00 0.22 H new ATOM 0 HG21 THR A 69 -12.174 -5.718 7.473 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.763 -5.333 6.458 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.808 -4.806 8.157 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.530 -3.580 4.495 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.870 -4.312 3.474 1.00 0.16 C ATOM 1079 C LEU A 70 -8.778 -3.458 2.956 1.00 0.13 C ATOM 1080 O LEU A 70 -7.637 -3.864 2.802 1.00 0.12 O ATOM 1081 CB LEU A 70 -10.947 -4.621 2.423 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.505 -4.953 1.004 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.314 -3.685 0.203 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.248 -5.803 1.017 1.00 0.21 C ATOM 0 H LEU A 70 -11.481 -3.315 4.239 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.420 -5.248 3.804 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.538 -5.460 2.791 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.614 -3.761 2.369 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.288 -5.538 0.520 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -9.998 -3.938 -0.809 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.254 -3.135 0.163 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.552 -3.067 0.677 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -8.950 -6.028 -0.007 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.446 -5.259 1.517 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.443 -6.733 1.551 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.156 -2.249 2.791 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.343 -1.274 2.180 1.00 0.09 C ATOM 1098 C ALA A 71 -7.355 -0.694 3.158 1.00 0.07 C ATOM 1099 O ALA A 71 -6.359 -0.141 2.763 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.241 -0.231 1.602 1.00 0.10 C ATOM 0 H ALA A 71 -10.068 -1.901 3.087 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.746 -1.721 1.385 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.640 0.540 1.120 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.903 -0.688 0.866 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.837 0.217 2.397 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.640 -0.817 4.433 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.717 -0.472 5.458 1.00 0.09 C ATOM 1108 C LYS A 72 -5.718 -1.551 5.498 1.00 0.10 C ATOM 1109 O LYS A 72 -4.538 -1.333 5.701 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.421 -0.403 6.780 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.509 0.022 7.883 1.00 0.14 C ATOM 1112 CD LYS A 72 -7.238 0.906 8.851 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.570 0.924 10.216 1.00 0.22 C ATOM 1114 NZ LYS A 72 -7.314 1.760 11.192 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.534 -1.165 4.779 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.259 0.497 5.262 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.254 0.296 6.710 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.844 -1.380 7.016 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -6.122 -0.855 8.402 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.651 0.553 7.470 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -7.281 1.920 8.455 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -8.267 0.560 8.955 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -6.495 -0.095 10.596 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -5.553 1.303 10.116 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -6.823 1.743 12.109 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -7.364 2.739 10.844 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -8.277 1.384 11.308 1.00 1.35 H new ATOM 1128 N SER A 73 -6.218 -2.734 5.262 1.00 0.10 N ATOM 1129 CA SER A 73 -5.354 -3.867 5.228 1.00 0.12 C ATOM 1130 C SER A 73 -4.590 -3.910 3.907 1.00 0.11 C ATOM 1131 O SER A 73 -3.606 -4.627 3.778 1.00 0.13 O ATOM 1132 CB SER A 73 -6.122 -5.163 5.484 1.00 0.16 C ATOM 1133 OG SER A 73 -6.693 -5.160 6.784 1.00 1.18 O ATOM 0 H SER A 73 -7.205 -2.930 5.094 1.00 0.10 H new ATOM 0 HA SER A 73 -4.627 -3.770 6.034 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.907 -5.280 4.737 1.00 0.16 H new ATOM 0 HB3 SER A 73 -5.452 -6.016 5.378 1.00 0.16 H new ATOM 0 HG SER A 73 -7.498 -4.601 6.787 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.058 -3.143 2.920 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.297 -2.900 1.723 1.00 0.08 C ATOM 1141 C LYS A 74 -3.337 -1.786 1.953 1.00 0.06 C ATOM 1142 O LYS A 74 -2.144 -1.900 1.730 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.209 -2.487 0.621 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.235 -3.510 0.293 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.233 -2.890 -0.607 1.00 0.12 C ATOM 1146 CE LYS A 74 -6.770 -2.988 -2.021 1.00 0.22 C ATOM 1147 NZ LYS A 74 -6.871 -1.699 -2.740 1.00 1.02 N1+ ATOM 0 H LYS A 74 -5.968 -2.683 2.940 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.767 -3.815 1.460 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.708 -1.559 0.900 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.618 -2.276 -0.270 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.773 -4.372 -0.188 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.715 -3.872 1.202 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.196 -3.388 -0.495 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.381 -1.845 -0.335 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -5.735 -3.330 -2.038 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -7.363 -3.739 -2.543 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -7.190 -1.869 -3.715 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.554 -1.083 -2.255 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -5.939 -1.237 -2.757 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.913 -0.697 2.381 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.200 0.507 2.655 1.00 0.04 C ATOM 1163 C TYR A 75 -2.021 0.237 3.552 1.00 0.05 C ATOM 1164 O TYR A 75 -0.899 0.539 3.205 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.111 1.501 3.351 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.302 2.516 4.114 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.204 2.439 5.494 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.703 3.582 3.465 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.529 3.393 6.217 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -2.013 4.544 4.176 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.698 4.318 5.481 1.00 0.08 C ATOM 1172 OH TYR A 75 -1.254 5.412 6.270 1.00 0.25 O ATOM 0 H TYR A 75 -4.916 -0.627 2.551 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.850 0.913 1.706 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.737 2.006 2.615 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.780 0.975 4.032 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.668 1.612 6.012 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.776 3.662 2.390 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.616 3.449 7.292 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.725 5.470 3.700 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.518 5.868 5.812 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.306 -0.353 4.701 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.333 -0.502 5.762 1.00 0.08 C ATOM 1184 C ASP A 76 -0.228 -1.373 5.253 1.00 0.09 C ATOM 1185 O ASP A 76 0.949 -1.196 5.542 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.946 -1.199 6.964 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.388 -0.696 8.279 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -1.884 0.334 8.784 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.448 -1.321 8.814 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.223 -0.742 4.922 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.978 0.485 6.058 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -3.026 -1.052 6.952 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.770 -2.272 6.886 1.00 0.13 H new ATOM 1194 N SER A 77 -0.680 -2.308 4.460 1.00 0.07 N ATOM 1195 CA SER A 77 0.137 -3.302 3.831 1.00 0.07 C ATOM 1196 C SER A 77 1.100 -2.611 2.902 1.00 0.06 C ATOM 1197 O SER A 77 2.320 -2.701 3.037 1.00 0.06 O ATOM 1198 CB SER A 77 -0.810 -4.215 3.051 1.00 0.08 C ATOM 1199 OG SER A 77 -0.142 -5.197 2.288 1.00 0.10 O ATOM 0 H SER A 77 -1.669 -2.398 4.228 1.00 0.07 H new ATOM 0 HA SER A 77 0.713 -3.884 4.551 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.486 -4.707 3.750 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.425 -3.607 2.388 1.00 0.08 H new ATOM 0 HG SER A 77 0.826 -5.057 2.350 1.00 0.10 H new ATOM 1205 N LEU A 78 0.505 -1.845 2.025 1.00 0.04 N ATOM 1206 CA LEU A 78 1.174 -1.155 0.968 1.00 0.04 C ATOM 1207 C LEU A 78 2.085 -0.092 1.565 1.00 0.04 C ATOM 1208 O LEU A 78 3.206 0.143 1.118 1.00 0.04 O ATOM 1209 CB LEU A 78 0.057 -0.557 0.131 1.00 0.03 C ATOM 1210 CG LEU A 78 0.447 0.113 -1.163 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.479 1.593 -0.928 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.790 -0.388 -1.641 1.00 0.04 C ATOM 0 H LEU A 78 -0.502 -1.682 2.034 1.00 0.04 H new ATOM 0 HA LEU A 78 1.810 -1.795 0.357 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.653 -1.351 -0.100 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.470 0.174 0.744 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.279 -0.123 -1.941 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.759 2.102 -1.850 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.507 1.933 -0.611 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.208 1.822 -0.151 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.052 0.108 -2.576 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.548 -0.170 -0.889 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.740 -1.465 -1.804 1.00 0.04 H new ATOM 1224 N ALA A 79 1.579 0.489 2.623 1.00 0.04 N ATOM 1225 CA ALA A 79 2.250 1.517 3.377 1.00 0.04 C ATOM 1226 C ALA A 79 3.463 0.962 4.043 1.00 0.05 C ATOM 1227 O ALA A 79 4.475 1.628 4.148 1.00 0.07 O ATOM 1228 CB ALA A 79 1.277 2.088 4.404 1.00 0.05 C ATOM 0 H ALA A 79 0.659 0.252 2.995 1.00 0.04 H new ATOM 0 HA ALA A 79 2.575 2.314 2.709 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.774 2.868 4.981 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.413 2.511 3.891 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.948 1.294 5.074 1.00 0.05 H new ATOM 1234 N THR A 80 3.363 -0.268 4.442 1.00 0.05 N ATOM 1235 CA THR A 80 4.454 -0.939 5.078 1.00 0.05 C ATOM 1236 C THR A 80 5.497 -1.341 4.060 1.00 0.05 C ATOM 1237 O THR A 80 6.683 -1.263 4.319 1.00 0.05 O ATOM 1238 CB THR A 80 3.945 -2.181 5.772 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.073 -1.824 6.855 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.099 -3.018 6.285 1.00 0.07 C ATOM 0 H THR A 80 2.522 -0.836 4.336 1.00 0.05 H new ATOM 0 HA THR A 80 4.904 -0.259 5.802 1.00 0.05 H new ATOM 0 HB THR A 80 3.384 -2.773 5.048 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.277 -1.376 6.500 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.711 -3.907 6.781 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.732 -3.316 5.449 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.685 -2.434 6.994 1.00 0.07 H new ATOM 1248 N GLN A 81 5.039 -1.754 2.892 1.00 0.05 N ATOM 1249 CA GLN A 81 5.881 -2.209 1.857 1.00 0.05 C ATOM 1250 C GLN A 81 6.703 -1.089 1.369 1.00 0.05 C ATOM 1251 O GLN A 81 7.895 -1.235 1.131 1.00 0.05 O ATOM 1252 CB GLN A 81 5.004 -2.770 0.774 1.00 0.05 C ATOM 1253 CG GLN A 81 4.366 -4.024 1.276 1.00 0.05 C ATOM 1254 CD GLN A 81 3.108 -4.404 0.591 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.231 -4.934 1.393 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.920 -4.195 -0.599 1.00 0.07 N flip ATOM 0 H GLN A 81 4.047 -1.774 2.655 1.00 0.05 H new ATOM 0 HA GLN A 81 6.562 -2.985 2.205 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.241 -2.045 0.492 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.593 -2.977 -0.120 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.079 -4.842 1.175 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.162 -3.909 2.341 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.657 -3.775 -1.166 1.00 0.07 H new ATOM 0 HE22 GLN A 81 2.026 -4.441 -1.025 1.00 0.07 H new ATOM 1265 N ILE A 82 6.079 0.052 1.256 1.00 0.04 N ATOM 1266 CA ILE A 82 6.836 1.184 0.896 1.00 0.04 C ATOM 1267 C ILE A 82 7.659 1.643 2.095 1.00 0.05 C ATOM 1268 O ILE A 82 8.835 1.858 1.949 1.00 0.05 O ATOM 1269 CB ILE A 82 6.015 2.365 0.322 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.259 3.109 1.383 1.00 0.05 C ATOM 1271 CG2 ILE A 82 5.045 1.937 -0.749 1.00 0.05 C ATOM 1272 CD1 ILE A 82 5.995 4.332 1.833 1.00 0.06 C ATOM 0 H ILE A 82 5.082 0.206 1.405 1.00 0.04 H new ATOM 0 HA ILE A 82 7.481 0.867 0.076 1.00 0.04 H new ATOM 0 HB ILE A 82 6.759 3.028 -0.120 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.279 3.394 0.999 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.088 2.453 2.236 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.498 2.807 -1.113 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.592 1.481 -1.574 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.342 1.214 -0.335 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.415 4.843 2.601 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.964 4.044 2.241 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.143 5.001 0.985 1.00 0.06 H new ATOM 1284 N LYS A 83 7.036 1.779 3.282 1.00 0.05 N ATOM 1285 CA LYS A 83 7.743 2.183 4.501 1.00 0.05 C ATOM 1286 C LYS A 83 8.970 1.346 4.762 1.00 0.05 C ATOM 1287 O LYS A 83 9.951 1.822 5.316 1.00 0.06 O ATOM 1288 CB LYS A 83 6.809 2.067 5.690 1.00 0.06 C ATOM 1289 CG LYS A 83 6.491 3.397 6.308 1.00 0.10 C ATOM 1290 CD LYS A 83 5.740 4.263 5.333 1.00 0.12 C ATOM 1291 CE LYS A 83 5.827 5.692 5.754 1.00 0.20 C ATOM 1292 NZ LYS A 83 4.983 6.598 4.936 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.039 1.613 3.417 1.00 0.05 H new ATOM 0 HA LYS A 83 8.066 3.214 4.358 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.883 1.587 5.374 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.263 1.421 6.442 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.896 3.253 7.210 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.413 3.894 6.611 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.155 4.143 4.332 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.697 3.952 5.285 1.00 0.12 H new ATOM 0 HE2 LYS A 83 5.529 5.774 6.799 1.00 0.20 H new ATOM 0 HE3 LYS A 83 6.865 6.019 5.692 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 5.237 7.586 5.138 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 5.138 6.400 3.927 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 3.981 6.444 5.169 1.00 0.95 H new ATOM 1306 N ALA A 84 8.876 0.103 4.396 1.00 0.05 N ATOM 1307 CA ALA A 84 9.969 -0.815 4.443 1.00 0.05 C ATOM 1308 C ALA A 84 11.027 -0.399 3.499 1.00 0.04 C ATOM 1309 O ALA A 84 12.205 -0.332 3.833 1.00 0.05 O ATOM 1310 CB ALA A 84 9.455 -2.123 3.994 1.00 0.05 C ATOM 0 H ALA A 84 8.011 -0.310 4.047 1.00 0.05 H new ATOM 0 HA ALA A 84 10.380 -0.854 5.452 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.261 -2.857 4.015 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.653 -2.446 4.658 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.071 -2.034 2.978 1.00 0.05 H new ATOM 1316 N ILE A 85 10.584 -0.134 2.302 1.00 0.04 N ATOM 1317 CA ILE A 85 11.454 0.297 1.284 1.00 0.04 C ATOM 1318 C ILE A 85 12.111 1.554 1.735 1.00 0.04 C ATOM 1319 O ILE A 85 13.311 1.704 1.646 1.00 0.05 O ATOM 1320 CB ILE A 85 10.695 0.538 -0.018 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.270 -0.795 -0.584 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.535 1.345 -0.982 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.305 -0.697 -1.732 1.00 0.04 C ATOM 0 H ILE A 85 9.607 -0.216 2.021 1.00 0.04 H new ATOM 0 HA ILE A 85 12.201 -0.474 1.092 1.00 0.04 H new ATOM 0 HB ILE A 85 9.798 1.128 0.168 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.157 -1.336 -0.914 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.814 -1.386 0.210 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.977 1.506 -1.904 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.780 2.308 -0.533 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.455 0.804 -1.205 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.051 -1.698 -2.080 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.400 -0.186 -1.404 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.764 -0.136 -2.546 1.00 0.04 H new ATOM 1335 N GLN A 86 11.295 2.407 2.302 1.00 0.04 N ATOM 1336 CA GLN A 86 11.725 3.646 2.812 1.00 0.05 C ATOM 1337 C GLN A 86 12.744 3.392 3.852 1.00 0.05 C ATOM 1338 O GLN A 86 13.808 3.922 3.786 1.00 0.07 O ATOM 1339 CB GLN A 86 10.568 4.381 3.431 1.00 0.06 C ATOM 1340 CG GLN A 86 9.426 4.521 2.478 1.00 0.06 C ATOM 1341 CD GLN A 86 8.965 5.933 2.309 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.567 6.600 1.362 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.088 6.418 3.025 1.00 0.08 N flip ATOM 0 H GLN A 86 10.295 2.238 2.415 1.00 0.04 H new ATOM 0 HA GLN A 86 12.138 4.251 2.005 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.235 3.849 4.322 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.896 5.369 3.753 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.722 4.124 1.507 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.592 3.914 2.830 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.651 5.850 3.751 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.799 7.387 2.892 1.00 0.08 H new ATOM 1352 N ASP A 87 12.390 2.517 4.773 1.00 0.05 N ATOM 1353 CA ASP A 87 13.249 2.157 5.892 1.00 0.06 C ATOM 1354 C ASP A 87 14.626 1.849 5.407 1.00 0.06 C ATOM 1355 O ASP A 87 15.600 2.469 5.800 1.00 0.08 O ATOM 1356 CB ASP A 87 12.753 0.900 6.600 1.00 0.08 C ATOM 1357 CG ASP A 87 12.845 1.015 8.106 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.790 1.070 8.769 1.00 0.40 O ATOM 1359 OD2 ASP A 87 13.972 1.042 8.639 1.00 0.39 O1- ATOM 0 H ASP A 87 11.493 2.031 4.769 1.00 0.05 H new ATOM 0 HA ASP A 87 13.241 3.006 6.575 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.718 0.709 6.315 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.338 0.043 6.267 1.00 0.08 H new ATOM 1364 N VAL A 88 14.696 0.896 4.526 1.00 0.04 N ATOM 1365 CA VAL A 88 15.961 0.398 4.097 1.00 0.04 C ATOM 1366 C VAL A 88 16.624 1.394 3.138 1.00 0.04 C ATOM 1367 O VAL A 88 17.805 1.665 3.267 1.00 0.05 O ATOM 1368 CB VAL A 88 15.827 -1.009 3.500 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.806 -1.820 4.280 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.457 -0.945 2.052 1.00 0.04 C ATOM 0 H VAL A 88 13.888 0.450 4.092 1.00 0.04 H new ATOM 0 HA VAL A 88 16.618 0.299 4.961 1.00 0.04 H new ATOM 0 HB VAL A 88 16.795 -1.505 3.576 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.722 -2.816 3.844 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.125 -1.904 5.319 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.837 -1.323 4.237 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.369 -1.956 1.654 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.504 -0.427 1.943 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.228 -0.405 1.503 1.00 0.04 H new ATOM 1380 N ASN A 89 15.838 1.996 2.228 1.00 0.05 N ATOM 1381 CA ASN A 89 16.298 3.075 1.359 1.00 0.06 C ATOM 1382 C ASN A 89 16.795 4.227 2.190 1.00 0.07 C ATOM 1383 O ASN A 89 17.658 5.001 1.781 1.00 0.09 O ATOM 1384 CB ASN A 89 15.130 3.572 0.519 1.00 0.06 C ATOM 1385 CG ASN A 89 14.771 2.642 -0.608 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.217 1.505 -0.654 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.914 3.111 -1.491 1.00 0.08 N ATOM 0 H ASN A 89 14.862 1.741 2.080 1.00 0.05 H new ATOM 0 HA ASN A 89 17.100 2.699 0.724 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.260 3.706 1.162 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.377 4.551 0.109 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.594 2.517 -2.256 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.570 4.068 -1.410 1.00 0.08 H new ATOM 1394 N ALA A 90 16.216 4.318 3.364 1.00 0.07 N ATOM 1395 CA ALA A 90 16.490 5.383 4.300 1.00 0.08 C ATOM 1396 C ALA A 90 17.843 5.187 4.915 1.00 0.09 C ATOM 1397 O ALA A 90 18.412 6.088 5.518 1.00 0.12 O ATOM 1398 CB ALA A 90 15.416 5.398 5.364 1.00 0.09 C ATOM 0 H ALA A 90 15.530 3.643 3.701 1.00 0.07 H new ATOM 0 HA ALA A 90 16.487 6.341 3.780 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.618 6.200 6.074 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.444 5.562 4.898 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.410 4.443 5.889 1.00 0.09 H new ATOM 1404 N GLN A 91 18.343 3.984 4.745 1.00 0.07 N ATOM 1405 CA GLN A 91 19.622 3.603 5.265 1.00 0.08 C ATOM 1406 C GLN A 91 20.690 3.934 4.257 1.00 0.08 C ATOM 1407 O GLN A 91 21.846 4.041 4.591 1.00 0.10 O ATOM 1408 CB GLN A 91 19.622 2.119 5.606 1.00 0.07 C ATOM 1409 CG GLN A 91 18.514 1.692 6.553 1.00 0.08 C ATOM 1410 CD GLN A 91 18.233 2.672 7.675 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.846 2.656 8.728 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.269 3.510 7.452 1.00 0.14 N ATOM 0 H GLN A 91 17.863 3.241 4.236 1.00 0.07 H new ATOM 0 HA GLN A 91 19.830 4.156 6.181 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.534 1.547 4.683 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.583 1.861 6.051 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.599 1.545 5.979 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.776 0.727 6.987 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.777 3.495 6.559 1.00 0.14 H new ATOM 0 HE22 GLN A 91 17.003 4.184 8.170 1.00 0.14 H new ATOM 1421 N PHE A 92 20.284 4.117 3.023 1.00 0.08 N ATOM 1422 CA PHE A 92 21.210 4.526 1.976 1.00 0.09 C ATOM 1423 C PHE A 92 21.153 6.005 1.733 1.00 0.11 C ATOM 1424 O PHE A 92 20.169 6.683 2.037 1.00 0.12 O ATOM 1425 CB PHE A 92 20.926 3.818 0.655 1.00 0.09 C ATOM 1426 CG PHE A 92 20.825 2.352 0.771 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.882 1.538 0.445 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.668 1.791 1.229 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.779 0.187 0.583 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.554 0.444 1.368 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.613 -0.361 1.047 1.00 0.06 C ATOM 0 H PHE A 92 19.321 3.991 2.712 1.00 0.08 H new ATOM 0 HA PHE A 92 22.202 4.248 2.332 1.00 0.09 H new ATOM 0 HB2 PHE A 92 19.995 4.204 0.240 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.717 4.063 -0.054 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.800 1.972 0.077 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.832 2.426 1.484 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.613 -0.449 0.328 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.633 0.011 1.730 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.529 -1.432 1.160 1.00 0.06 H new ATOM 1441 N GLU A 93 22.241 6.480 1.164 1.00 0.12 N ATOM 1442 CA GLU A 93 22.367 7.848 0.756 1.00 0.14 C ATOM 1443 C GLU A 93 21.357 8.142 -0.344 1.00 0.14 C ATOM 1444 O GLU A 93 20.958 9.283 -0.573 1.00 0.16 O ATOM 1445 CB GLU A 93 23.774 8.107 0.251 1.00 0.16 C ATOM 1446 CG GLU A 93 24.863 7.749 1.253 1.00 0.17 C ATOM 1447 CD GLU A 93 26.085 8.629 1.108 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.180 9.642 1.829 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.963 8.298 0.283 1.00 0.37 O1- ATOM 0 H GLU A 93 23.068 5.914 0.973 1.00 0.12 H new ATOM 0 HA GLU A 93 22.173 8.500 1.607 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.933 7.535 -0.663 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.867 9.161 -0.012 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.468 7.842 2.265 1.00 0.17 H new ATOM 0 HG3 GLU A 93 25.150 6.706 1.118 1.00 0.17 H new ATOM 1456 N LYS A 94 20.975 7.077 -1.032 1.00 0.13 N ATOM 1457 CA LYS A 94 19.949 7.114 -2.054 1.00 0.14 C ATOM 1458 C LYS A 94 19.194 5.805 -1.994 1.00 0.12 C ATOM 1459 O LYS A 94 19.790 4.761 -1.763 1.00 0.12 O ATOM 1460 CB LYS A 94 20.525 7.294 -3.459 1.00 0.21 C ATOM 1461 CG LYS A 94 22.000 7.670 -3.502 1.00 0.75 C ATOM 1462 CD LYS A 94 22.584 7.478 -4.893 1.00 1.25 C ATOM 1463 CE LYS A 94 24.035 7.929 -4.967 1.00 2.08 C ATOM 1464 NZ LYS A 94 24.170 9.410 -4.907 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.377 6.150 -0.891 1.00 0.13 H new ATOM 0 HA LYS A 94 19.301 7.969 -1.862 1.00 0.14 H new ATOM 0 HB2 LYS A 94 20.385 6.367 -4.015 1.00 0.21 H new ATOM 0 HB3 LYS A 94 19.953 8.065 -3.975 1.00 0.21 H new ATOM 0 HG2 LYS A 94 22.121 8.709 -3.196 1.00 0.75 H new ATOM 0 HG3 LYS A 94 22.553 7.061 -2.787 1.00 0.75 H new ATOM 0 HD2 LYS A 94 22.516 6.427 -5.173 1.00 1.25 H new ATOM 0 HD3 LYS A 94 21.992 8.040 -5.616 1.00 1.25 H new ATOM 0 HE2 LYS A 94 24.594 7.482 -4.145 1.00 2.08 H new ATOM 0 HE3 LYS A 94 24.480 7.563 -5.892 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 25.169 9.673 -5.029 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 23.604 9.841 -5.665 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 23.832 9.752 -3.985 1.00 2.94 H new ATOM 1478 N PRO A 95 17.888 5.858 -2.210 1.00 0.11 N ATOM 1479 CA PRO A 95 16.995 4.708 -2.089 1.00 0.09 C ATOM 1480 C PRO A 95 17.491 3.516 -2.828 1.00 0.08 C ATOM 1481 O PRO A 95 17.953 3.639 -3.963 1.00 0.10 O ATOM 1482 CB PRO A 95 15.718 5.201 -2.749 1.00 0.11 C ATOM 1483 CG PRO A 95 15.733 6.652 -2.497 1.00 0.13 C ATOM 1484 CD PRO A 95 17.174 7.051 -2.650 1.00 0.14 C ATOM 0 HA PRO A 95 16.888 4.391 -1.052 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.708 4.980 -3.816 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.836 4.729 -2.317 1.00 0.11 H new ATOM 0 HG2 PRO A 95 15.098 7.184 -3.205 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.362 6.884 -1.499 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.415 7.309 -3.681 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.421 7.919 -2.038 1.00 0.14 H new ATOM 1492 N ALA A 96 17.383 2.349 -2.225 1.00 0.06 N ATOM 1493 CA ALA A 96 17.722 1.211 -2.980 1.00 0.06 C ATOM 1494 C ALA A 96 16.655 0.155 -2.890 1.00 0.05 C ATOM 1495 O ALA A 96 16.922 -1.003 -2.609 1.00 0.05 O ATOM 1496 CB ALA A 96 19.005 0.672 -2.408 1.00 0.05 C ATOM 0 H ALA A 96 17.078 2.189 -1.265 1.00 0.06 H new ATOM 0 HA ALA A 96 17.827 1.482 -4.031 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.307 -0.215 -2.965 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.784 1.431 -2.483 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.854 0.409 -1.361 1.00 0.05 H new ATOM 1502 N ILE A 97 15.459 0.581 -3.197 1.00 0.06 N ATOM 1503 CA ILE A 97 14.413 -0.196 -3.784 1.00 0.07 C ATOM 1504 C ILE A 97 13.640 0.752 -4.625 1.00 0.08 C ATOM 1505 O ILE A 97 12.818 1.511 -4.113 1.00 0.10 O ATOM 1506 CB ILE A 97 13.502 -0.849 -2.770 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.172 -2.061 -2.184 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.147 -1.198 -3.370 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.691 -1.803 -0.809 1.00 0.05 C ATOM 0 H ILE A 97 15.176 1.547 -3.030 1.00 0.06 H new ATOM 0 HA ILE A 97 14.844 -1.021 -4.351 1.00 0.07 H new ATOM 0 HB ILE A 97 13.314 -0.134 -1.969 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.463 -2.888 -2.155 1.00 0.06 H new ATOM 0 HG13 ILE A 97 14.994 -2.369 -2.830 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.522 -1.665 -2.609 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.663 -0.290 -3.729 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.284 -1.889 -4.202 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.167 -2.705 -0.425 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.420 -0.994 -0.841 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.865 -1.522 -0.155 1.00 0.05 H new ATOM 1521 N VAL A 98 13.901 0.774 -5.864 1.00 0.09 N ATOM 1522 CA VAL A 98 13.260 1.741 -6.688 1.00 0.10 C ATOM 1523 C VAL A 98 12.699 1.073 -7.903 1.00 0.10 C ATOM 1524 O VAL A 98 13.426 0.612 -8.780 1.00 0.14 O ATOM 1525 CB VAL A 98 14.196 2.903 -7.014 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.480 3.674 -5.722 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.477 2.395 -7.647 1.00 0.11 C ATOM 0 H VAL A 98 14.547 0.145 -6.342 1.00 0.09 H new ATOM 0 HA VAL A 98 12.425 2.184 -6.146 1.00 0.10 H new ATOM 0 HB VAL A 98 13.725 3.571 -7.736 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.148 4.509 -5.936 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.544 4.054 -5.312 1.00 0.10 H new ATOM 0 HG13 VAL A 98 14.950 3.009 -4.998 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.131 3.238 -7.872 1.00 0.11 H new ATOM 0 HG22 VAL A 98 15.981 1.719 -6.956 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.241 1.863 -8.568 1.00 0.11 H new ATOM 1537 N ASP A 99 11.386 0.966 -7.869 1.00 0.09 N ATOM 1538 CA ASP A 99 10.618 0.223 -8.873 1.00 0.11 C ATOM 1539 C ASP A 99 10.652 -1.262 -8.536 1.00 0.09 C ATOM 1540 O ASP A 99 10.819 -2.120 -9.403 1.00 0.11 O ATOM 1541 CB ASP A 99 11.144 0.462 -10.294 1.00 0.14 C ATOM 1542 CG ASP A 99 10.204 -0.035 -11.380 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.487 -1.086 -11.990 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.184 0.633 -11.634 1.00 0.52 O1- ATOM 0 H ASP A 99 10.809 1.391 -7.143 1.00 0.09 H new ATOM 0 HA ASP A 99 9.590 0.584 -8.849 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.317 1.529 -10.434 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.108 -0.034 -10.404 1.00 0.14 H new ATOM 1549 N GLY A 100 10.499 -1.557 -7.248 1.00 0.07 N ATOM 1550 CA GLY A 100 10.496 -2.929 -6.787 1.00 0.08 C ATOM 1551 C GLY A 100 11.819 -3.614 -6.973 1.00 0.08 C ATOM 1552 O GLY A 100 11.944 -4.811 -6.740 1.00 0.10 O ATOM 0 H GLY A 100 10.376 -0.862 -6.512 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.227 -2.951 -5.731 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.727 -3.485 -7.323 1.00 0.08 H new ATOM 1556 N VAL A 101 12.795 -2.867 -7.427 1.00 0.08 N ATOM 1557 CA VAL A 101 14.113 -3.383 -7.595 1.00 0.09 C ATOM 1558 C VAL A 101 15.096 -2.475 -6.925 1.00 0.08 C ATOM 1559 O VAL A 101 15.009 -1.254 -6.985 1.00 0.09 O ATOM 1560 CB VAL A 101 14.468 -3.576 -9.072 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.455 -2.247 -9.823 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.815 -4.275 -9.206 1.00 0.15 C ATOM 0 H VAL A 101 12.689 -1.887 -7.688 1.00 0.08 H new ATOM 0 HA VAL A 101 14.155 -4.367 -7.129 1.00 0.09 H new ATOM 0 HB VAL A 101 13.708 -4.211 -9.526 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.711 -2.417 -10.869 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.461 -1.803 -9.760 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.183 -1.570 -9.377 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.054 -4.405 -10.261 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.588 -3.670 -8.731 1.00 0.15 H new ATOM 0 HG23 VAL A 101 15.769 -5.250 -8.721 1.00 0.15 H new ATOM 1572 N LEU A 102 16.009 -3.108 -6.282 1.00 0.07 N ATOM 1573 CA LEU A 102 17.009 -2.468 -5.507 1.00 0.07 C ATOM 1574 C LEU A 102 17.974 -1.684 -6.379 1.00 0.09 C ATOM 1575 O LEU A 102 18.167 -1.975 -7.559 1.00 0.11 O ATOM 1576 CB LEU A 102 17.730 -3.564 -4.757 1.00 0.07 C ATOM 1577 CG LEU A 102 19.219 -3.348 -4.533 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.435 -2.381 -3.393 1.00 0.06 C ATOM 1579 CD2 LEU A 102 19.930 -4.654 -4.261 1.00 0.07 C ATOM 0 H LEU A 102 16.083 -4.125 -6.281 1.00 0.07 H new ATOM 0 HA LEU A 102 16.563 -1.745 -4.824 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.251 -3.689 -3.786 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.596 -4.499 -5.301 1.00 0.07 H new ATOM 0 HG LEU A 102 19.642 -2.925 -5.444 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.504 -2.232 -3.240 1.00 0.06 H new ATOM 0 HD12 LEU A 102 18.966 -1.426 -3.632 1.00 0.06 H new ATOM 0 HD13 LEU A 102 18.991 -2.786 -2.484 1.00 0.06 H new ATOM 0 HD21 LEU A 102 20.992 -4.465 -4.105 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.510 -5.118 -3.369 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.802 -5.322 -5.112 1.00 0.07 H new ATOM 1591 N ASP A 103 18.570 -0.698 -5.764 1.00 0.09 N ATOM 1592 CA ASP A 103 19.589 0.108 -6.382 1.00 0.11 C ATOM 1593 C ASP A 103 20.902 -0.267 -5.759 1.00 0.11 C ATOM 1594 O ASP A 103 21.267 0.266 -4.735 1.00 0.10 O ATOM 1595 CB ASP A 103 19.361 1.578 -6.096 1.00 0.13 C ATOM 1596 CG ASP A 103 19.651 2.474 -7.283 1.00 0.20 C ATOM 1597 OD1 ASP A 103 18.955 2.354 -8.316 1.00 0.46 O ATOM 1598 OD2 ASP A 103 20.561 3.322 -7.184 1.00 0.48 O1- ATOM 0 H ASP A 103 18.358 -0.428 -4.804 1.00 0.09 H new ATOM 0 HA ASP A 103 19.572 -0.059 -7.459 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.327 1.724 -5.784 1.00 0.13 H new ATOM 0 HB3 ASP A 103 19.992 1.880 -5.260 1.00 0.13 H new ATOM 1603 N THR A 104 21.606 -1.164 -6.382 1.00 0.12 N ATOM 1604 CA THR A 104 22.889 -1.646 -5.882 1.00 0.14 C ATOM 1605 C THR A 104 23.903 -0.538 -5.950 1.00 0.16 C ATOM 1606 O THR A 104 24.983 -0.582 -5.354 1.00 0.19 O ATOM 1607 CB THR A 104 23.362 -2.831 -6.710 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.096 -2.388 -7.861 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.151 -3.599 -7.166 1.00 0.16 C ATOM 0 H THR A 104 21.316 -1.595 -7.260 1.00 0.12 H new ATOM 0 HA THR A 104 22.771 -1.966 -4.847 1.00 0.14 H new ATOM 0 HB THR A 104 24.017 -3.456 -6.103 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.393 -3.165 -8.379 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.466 -4.455 -7.763 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.593 -3.948 -6.297 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.515 -2.951 -7.769 1.00 0.16 H new ATOM 1617 N ASN A 105 23.496 0.467 -6.676 1.00 0.16 N ATOM 1618 CA ASN A 105 24.282 1.651 -6.893 1.00 0.20 C ATOM 1619 C ASN A 105 24.138 2.579 -5.716 1.00 0.19 C ATOM 1620 O ASN A 105 24.788 3.621 -5.620 1.00 0.26 O ATOM 1621 CB ASN A 105 23.793 2.333 -8.150 1.00 0.26 C ATOM 1622 CG ASN A 105 24.846 3.200 -8.799 1.00 0.37 C ATOM 1623 OD1 ASN A 105 24.903 4.408 -8.573 1.00 0.70 O ATOM 1624 ND2 ASN A 105 25.694 2.587 -9.601 1.00 0.90 N ATOM 0 H ASN A 105 22.589 0.486 -7.143 1.00 0.16 H new ATOM 0 HA ASN A 105 25.333 1.385 -7.003 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.463 1.577 -8.862 1.00 0.26 H new ATOM 0 HB3 ASN A 105 22.924 2.945 -7.910 1.00 0.26 H new ATOM 0 HD21 ASN A 105 26.434 3.117 -10.062 1.00 0.90 H new ATOM 0 HD22 ASN A 105 25.610 1.583 -9.760 1.00 0.90 H new ATOM 1631 N ALA A 106 23.269 2.169 -4.827 1.00 0.14 N ATOM 1632 CA ALA A 106 22.968 2.936 -3.624 1.00 0.13 C ATOM 1633 C ALA A 106 24.095 2.859 -2.632 1.00 0.14 C ATOM 1634 O ALA A 106 25.098 2.178 -2.837 1.00 0.20 O ATOM 1635 CB ALA A 106 21.672 2.478 -2.985 1.00 0.10 C ATOM 0 H ALA A 106 22.746 1.297 -4.908 1.00 0.14 H new ATOM 0 HA ALA A 106 22.848 3.976 -3.927 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.478 3.071 -2.091 1.00 0.10 H new ATOM 0 HB2 ALA A 106 20.852 2.608 -3.692 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.753 1.426 -2.712 1.00 0.10 H new ATOM 1641 N LYS A 107 23.909 3.568 -1.553 1.00 0.13 N ATOM 1642 CA LYS A 107 24.962 3.788 -0.604 1.00 0.14 C ATOM 1643 C LYS A 107 24.472 3.639 0.799 1.00 0.12 C ATOM 1644 O LYS A 107 23.974 4.592 1.373 1.00 0.12 O ATOM 1645 CB LYS A 107 25.507 5.186 -0.781 1.00 0.17 C ATOM 1646 CG LYS A 107 26.648 5.257 -1.748 1.00 0.25 C ATOM 1647 CD LYS A 107 27.832 4.474 -1.206 1.00 0.80 C ATOM 1648 CE LYS A 107 28.303 5.042 0.127 1.00 1.20 C ATOM 1649 NZ LYS A 107 29.521 4.354 0.625 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.023 4.009 -1.308 1.00 0.13 H new ATOM 0 HA LYS A 107 25.738 3.044 -0.782 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.706 5.840 -1.126 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.835 5.566 0.186 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.344 4.852 -2.713 1.00 0.25 H new ATOM 0 HG3 LYS A 107 26.932 6.296 -1.913 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.553 3.428 -1.081 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.650 4.502 -1.926 1.00 0.80 H new ATOM 0 HE2 LYS A 107 28.508 6.107 0.015 1.00 1.20 H new ATOM 0 HE3 LYS A 107 27.506 4.946 0.864 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.808 4.771 1.534 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.319 3.342 0.756 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 30.290 4.467 -0.066 1.00 1.99 H new ATOM 1663 N ALA A 108 24.625 2.465 1.359 1.00 0.11 N ATOM 1664 CA ALA A 108 24.181 2.239 2.714 1.00 0.10 C ATOM 1665 C ALA A 108 24.965 3.150 3.644 1.00 0.11 C ATOM 1666 O ALA A 108 26.147 2.920 3.906 1.00 0.13 O ATOM 1667 CB ALA A 108 24.338 0.776 3.088 1.00 0.10 C ATOM 0 H ALA A 108 25.049 1.657 0.904 1.00 0.11 H new ATOM 0 HA ALA A 108 23.121 2.476 2.806 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.999 0.624 4.113 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.742 0.162 2.413 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.387 0.490 3.007 1.00 0.10 H new ATOM 1673 N LYS A 109 24.299 4.221 4.065 1.00 0.11 N ATOM 1674 CA LYS A 109 24.870 5.243 4.924 1.00 0.13 C ATOM 1675 C LYS A 109 25.609 4.662 6.124 1.00 0.15 C ATOM 1676 O LYS A 109 25.403 3.512 6.507 1.00 0.14 O ATOM 1677 CB LYS A 109 23.752 6.150 5.421 1.00 0.14 C ATOM 1678 CG LYS A 109 23.387 7.216 4.421 1.00 0.15 C ATOM 1679 CD LYS A 109 22.334 8.164 4.960 1.00 0.17 C ATOM 1680 CE LYS A 109 20.967 7.523 4.927 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.947 8.341 5.633 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.328 4.403 3.811 1.00 0.11 H new ATOM 0 HA LYS A 109 25.598 5.798 4.332 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.871 5.548 5.643 1.00 0.14 H new ATOM 0 HB3 LYS A 109 24.059 6.622 6.354 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.279 7.781 4.151 1.00 0.15 H new ATOM 0 HG3 LYS A 109 23.019 6.746 3.509 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.583 8.448 5.983 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.326 9.079 4.368 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.660 7.378 3.891 1.00 0.16 H new ATOM 0 HE3 LYS A 109 21.019 6.535 5.385 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 19.094 7.769 5.794 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 20.328 8.658 6.547 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.704 9.169 5.053 1.00 0.26 H new ATOM 1695 N SER A 110 26.438 5.490 6.745 1.00 0.19 N ATOM 1696 CA SER A 110 27.140 5.117 7.967 1.00 0.22 C ATOM 1697 C SER A 110 26.174 5.051 9.136 1.00 0.23 C ATOM 1698 O SER A 110 26.559 4.785 10.275 1.00 0.26 O ATOM 1699 CB SER A 110 28.245 6.124 8.267 1.00 0.27 C ATOM 1700 OG SER A 110 29.127 6.258 7.164 1.00 0.29 O ATOM 0 H SER A 110 26.643 6.434 6.419 1.00 0.19 H new ATOM 0 HA SER A 110 27.584 4.132 7.822 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.804 7.092 8.504 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.804 5.804 9.147 1.00 0.27 H new ATOM 0 HG SER A 110 29.825 6.910 7.381 1.00 0.29 H new ATOM 1706 N ASP A 111 24.922 5.311 8.833 1.00 0.21 N ATOM 1707 CA ASP A 111 23.881 5.360 9.821 1.00 0.23 C ATOM 1708 C ASP A 111 22.829 4.314 9.491 1.00 0.19 C ATOM 1709 O ASP A 111 21.934 4.039 10.294 1.00 0.21 O ATOM 1710 CB ASP A 111 23.282 6.763 9.851 1.00 0.28 C ATOM 1711 CG ASP A 111 22.149 6.910 10.847 1.00 0.77 C ATOM 1712 OD1 ASP A 111 20.981 7.037 10.422 1.00 1.51 O ATOM 1713 OD2 ASP A 111 22.427 6.880 12.065 1.00 0.70 O1- ATOM 0 H ASP A 111 24.600 5.495 7.883 1.00 0.21 H new ATOM 0 HA ASP A 111 24.283 5.140 10.810 1.00 0.23 H new ATOM 0 HB2 ASP A 111 24.066 7.480 10.095 1.00 0.28 H new ATOM 0 HB3 ASP A 111 22.917 7.016 8.856 1.00 0.28 H new ATOM 1718 N ALA A 112 22.935 3.753 8.278 1.00 0.14 N ATOM 1719 CA ALA A 112 22.125 2.617 7.880 1.00 0.11 C ATOM 1720 C ALA A 112 22.077 1.565 8.965 1.00 0.12 C ATOM 1721 O ALA A 112 23.088 0.997 9.382 1.00 0.15 O ATOM 1722 CB ALA A 112 22.651 1.999 6.600 1.00 0.10 C ATOM 0 H ALA A 112 23.581 4.078 7.559 1.00 0.14 H new ATOM 0 HA ALA A 112 21.114 2.988 7.710 1.00 0.11 H new ATOM 0 HB1 ALA A 112 22.027 1.150 6.323 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.629 2.741 5.802 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.676 1.661 6.753 1.00 0.10 H new ATOM 1728 N LYS A 113 20.877 1.340 9.401 1.00 0.11 N ATOM 1729 CA LYS A 113 20.559 0.385 10.419 1.00 0.13 C ATOM 1730 C LYS A 113 19.336 -0.388 9.983 1.00 0.12 C ATOM 1731 O LYS A 113 18.208 0.096 10.067 1.00 0.13 O ATOM 1732 CB LYS A 113 20.291 1.111 11.713 1.00 0.15 C ATOM 1733 CG LYS A 113 20.976 0.476 12.909 1.00 0.24 C ATOM 1734 CD LYS A 113 20.652 1.211 14.201 1.00 0.34 C ATOM 1735 CE LYS A 113 21.109 2.662 14.157 1.00 1.46 C ATOM 1736 NZ LYS A 113 20.787 3.385 15.415 1.00 2.22 N1+ ATOM 0 H LYS A 113 20.060 1.835 9.044 1.00 0.11 H new ATOM 0 HA LYS A 113 21.388 -0.306 10.572 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.625 2.144 11.618 1.00 0.15 H new ATOM 0 HB3 LYS A 113 19.216 1.138 11.891 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.665 -0.565 12.995 1.00 0.24 H new ATOM 0 HG3 LYS A 113 22.055 0.475 12.752 1.00 0.24 H new ATOM 0 HD2 LYS A 113 19.578 1.174 14.380 1.00 0.34 H new ATOM 0 HD3 LYS A 113 21.133 0.704 15.038 1.00 0.34 H new ATOM 0 HE2 LYS A 113 22.184 2.698 13.983 1.00 1.46 H new ATOM 0 HE3 LYS A 113 20.633 3.167 13.316 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 21.115 4.369 15.343 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 19.758 3.373 15.569 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 21.262 2.919 16.214 1.00 2.22 H new ATOM 1750 N PHE A 114 19.571 -1.579 9.499 1.00 0.11 N ATOM 1751 CA PHE A 114 18.547 -2.333 8.814 1.00 0.10 C ATOM 1752 C PHE A 114 17.725 -3.223 9.716 1.00 0.12 C ATOM 1753 O PHE A 114 18.162 -3.672 10.779 1.00 0.15 O ATOM 1754 CB PHE A 114 19.166 -3.167 7.721 1.00 0.08 C ATOM 1755 CG PHE A 114 19.661 -2.337 6.599 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.938 -1.821 6.619 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.840 -2.071 5.525 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.391 -1.051 5.579 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.284 -1.304 4.484 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.561 -0.792 4.508 1.00 0.06 C ATOM 0 H PHE A 114 20.471 -2.054 9.566 1.00 0.11 H new ATOM 0 HA PHE A 114 17.861 -1.593 8.401 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.991 -3.748 8.133 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.430 -3.879 7.348 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.586 -2.024 7.459 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.837 -2.472 5.505 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.393 -0.649 5.598 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.635 -1.101 3.645 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.914 -0.186 3.687 1.00 0.06 H new ATOM 1770 N THR A 115 16.528 -3.469 9.235 1.00 0.12 N ATOM 1771 CA THR A 115 15.598 -4.392 9.822 1.00 0.13 C ATOM 1772 C THR A 115 15.138 -5.339 8.740 1.00 0.13 C ATOM 1773 O THR A 115 14.878 -4.919 7.612 1.00 0.13 O ATOM 1774 CB THR A 115 14.396 -3.655 10.444 1.00 0.15 C ATOM 1775 OG1 THR A 115 14.122 -2.458 9.707 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.668 -3.308 11.897 1.00 0.20 C ATOM 0 H THR A 115 16.168 -3.014 8.396 1.00 0.12 H new ATOM 0 HA THR A 115 16.085 -4.943 10.627 1.00 0.13 H new ATOM 0 HB THR A 115 13.530 -4.316 10.400 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.356 -1.996 10.107 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.806 -2.788 12.315 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.849 -4.223 12.462 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.545 -2.664 11.959 1.00 0.20 H new ATOM 1784 N ASP A 116 15.115 -6.613 9.069 1.00 0.16 N ATOM 1785 CA ASP A 116 14.642 -7.642 8.165 1.00 0.18 C ATOM 1786 C ASP A 116 13.146 -7.528 8.031 1.00 0.17 C ATOM 1787 O ASP A 116 12.381 -8.381 8.487 1.00 0.23 O ATOM 1788 CB ASP A 116 15.036 -9.015 8.688 1.00 0.24 C ATOM 1789 CG ASP A 116 16.496 -9.339 8.449 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.333 -9.014 9.319 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.814 -9.933 7.397 1.00 0.88 O1- ATOM 0 H ASP A 116 15.425 -6.966 9.974 1.00 0.16 H new ATOM 0 HA ASP A 116 15.097 -7.512 7.183 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.828 -9.065 9.757 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.417 -9.773 8.207 1.00 0.24 H new ATOM 1796 N ILE A 117 12.764 -6.444 7.406 1.00 0.14 N ATOM 1797 CA ILE A 117 11.391 -6.033 7.324 1.00 0.13 C ATOM 1798 C ILE A 117 10.565 -6.978 6.503 1.00 0.15 C ATOM 1799 O ILE A 117 10.878 -7.274 5.351 1.00 0.18 O ATOM 1800 CB ILE A 117 11.271 -4.617 6.765 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.889 -3.661 7.769 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.815 -4.262 6.480 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.597 -2.207 7.491 1.00 0.12 C ATOM 0 H ILE A 117 13.411 -5.813 6.933 1.00 0.14 H new ATOM 0 HA ILE A 117 11.002 -6.046 8.342 1.00 0.13 H new ATOM 0 HB ILE A 117 11.801 -4.544 5.815 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.524 -3.910 8.765 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.969 -3.809 7.779 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.759 -3.248 6.083 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.406 -4.961 5.750 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.238 -4.323 7.403 1.00 0.12 H new ATOM 0 HD11 ILE A 117 12.073 -1.588 8.252 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.987 -1.939 6.509 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.520 -2.042 7.511 1.00 0.12 H new ATOM 1815 N LYS A 118 9.539 -7.483 7.135 1.00 0.14 N ATOM 1816 CA LYS A 118 8.527 -8.224 6.442 1.00 0.16 C ATOM 1817 C LYS A 118 7.287 -7.404 6.342 1.00 0.14 C ATOM 1818 O LYS A 118 6.569 -7.161 7.317 1.00 0.22 O ATOM 1819 CB LYS A 118 8.234 -9.527 7.139 1.00 0.23 C ATOM 1820 CG LYS A 118 9.491 -10.306 7.346 1.00 0.30 C ATOM 1821 CD LYS A 118 9.987 -10.942 6.064 1.00 0.38 C ATOM 1822 CE LYS A 118 11.201 -11.824 6.308 1.00 1.10 C ATOM 1823 NZ LYS A 118 10.910 -12.921 7.268 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.384 -7.391 8.139 1.00 0.14 H new ATOM 0 HA LYS A 118 8.892 -8.455 5.441 1.00 0.16 H new ATOM 0 HB2 LYS A 118 7.758 -9.333 8.100 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.530 -10.112 6.547 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.263 -9.648 7.745 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.317 -11.082 8.091 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.189 -11.536 5.620 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.242 -10.163 5.346 1.00 0.38 H new ATOM 0 HE2 LYS A 118 11.536 -12.250 5.362 1.00 1.10 H new ATOM 0 HE3 LYS A 118 12.020 -11.215 6.691 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 11.645 -13.653 7.192 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 10.899 -12.541 8.236 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 9.983 -13.337 7.049 1.00 1.87 H new ATOM 1837 N THR A 119 7.080 -6.960 5.153 1.00 0.10 N ATOM 1838 CA THR A 119 5.901 -6.241 4.788 1.00 0.09 C ATOM 1839 C THR A 119 4.791 -7.221 4.574 1.00 0.12 C ATOM 1840 O THR A 119 3.609 -6.872 4.550 1.00 0.16 O ATOM 1841 CB THR A 119 6.162 -5.510 3.485 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.411 -6.454 2.442 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.361 -4.643 3.640 1.00 0.06 C ATOM 0 H THR A 119 7.739 -7.087 4.385 1.00 0.10 H new ATOM 0 HA THR A 119 5.633 -5.532 5.571 1.00 0.09 H new ATOM 0 HB THR A 119 5.290 -4.906 3.233 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.290 -6.866 2.577 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.552 -4.116 2.705 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.186 -3.919 4.436 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.225 -5.258 3.893 1.00 0.06 H new ATOM 1851 N GLY A 120 5.198 -8.467 4.427 1.00 0.13 N ATOM 1852 CA GLY A 120 4.283 -9.459 3.967 1.00 0.14 C ATOM 1853 C GLY A 120 4.416 -9.663 2.474 1.00 0.13 C ATOM 1854 O GLY A 120 4.088 -10.728 1.949 1.00 0.18 O ATOM 0 H GLY A 120 6.143 -8.800 4.619 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.469 -10.400 4.485 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.263 -9.159 4.208 1.00 0.14 H new ATOM 1858 N ASN A 121 4.909 -8.634 1.788 1.00 0.10 N ATOM 1859 CA ASN A 121 5.232 -8.737 0.380 1.00 0.10 C ATOM 1860 C ASN A 121 6.609 -9.347 0.270 1.00 0.16 C ATOM 1861 O ASN A 121 7.590 -8.633 0.242 1.00 0.30 O ATOM 1862 CB ASN A 121 5.241 -7.348 -0.272 1.00 0.11 C ATOM 1863 CG ASN A 121 5.482 -7.389 -1.769 1.00 0.16 C ATOM 1864 OD1 ASN A 121 5.955 -8.380 -2.318 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.225 -6.278 -2.430 1.00 0.13 N ATOM 0 H ASN A 121 5.092 -7.716 2.194 1.00 0.10 H new ATOM 0 HA ASN A 121 4.488 -9.350 -0.128 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.287 -6.857 -0.078 1.00 0.11 H new ATOM 0 HB3 ASN A 121 6.014 -6.739 0.197 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.419 -6.223 -3.430 1.00 0.13 H new ATOM 0 HD22 ASN A 121 4.832 -5.473 -1.942 1.00 0.13 H new ATOM 1872 N THR A 122 6.664 -10.665 0.228 1.00 0.15 N ATOM 1873 CA THR A 122 7.919 -11.394 0.193 1.00 0.16 C ATOM 1874 C THR A 122 8.862 -10.887 -0.866 1.00 0.12 C ATOM 1875 O THR A 122 9.995 -10.599 -0.596 1.00 0.11 O ATOM 1876 CB THR A 122 7.659 -12.857 -0.063 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.770 -13.381 0.936 1.00 0.26 O ATOM 1878 CG2 THR A 122 8.965 -13.617 -0.078 1.00 0.19 C ATOM 0 H THR A 122 5.837 -11.262 0.217 1.00 0.15 H new ATOM 0 HA THR A 122 8.389 -11.243 1.165 1.00 0.16 H new ATOM 0 HB THR A 122 7.183 -12.974 -1.037 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.605 -14.331 0.761 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.769 -14.673 -0.263 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.606 -13.223 -0.866 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.463 -13.504 0.885 1.00 0.19 H new ATOM 1886 N GLU A 123 8.373 -10.797 -2.055 1.00 0.14 N ATOM 1887 CA GLU A 123 9.122 -10.348 -3.202 1.00 0.14 C ATOM 1888 C GLU A 123 9.748 -9.007 -2.938 1.00 0.11 C ATOM 1889 O GLU A 123 10.892 -8.756 -3.299 1.00 0.15 O ATOM 1890 CB GLU A 123 8.153 -10.266 -4.358 1.00 0.21 C ATOM 1891 CG GLU A 123 7.202 -11.453 -4.398 1.00 0.30 C ATOM 1892 CD GLU A 123 5.998 -11.350 -3.466 1.00 1.16 C ATOM 1893 OE1 GLU A 123 6.012 -11.947 -2.381 1.00 1.66 O ATOM 1894 OE2 GLU A 123 5.040 -10.632 -3.818 1.00 1.46 O1- ATOM 0 H GLU A 123 7.407 -11.040 -2.274 1.00 0.14 H new ATOM 0 HA GLU A 123 9.934 -11.040 -3.427 1.00 0.14 H new ATOM 0 HB2 GLU A 123 7.577 -9.344 -4.282 1.00 0.21 H new ATOM 0 HB3 GLU A 123 8.710 -10.218 -5.294 1.00 0.21 H new ATOM 0 HG2 GLU A 123 6.842 -11.576 -5.419 1.00 0.30 H new ATOM 0 HG3 GLU A 123 7.760 -12.355 -4.146 1.00 0.30 H new ATOM 1901 N LEU A 124 8.997 -8.186 -2.259 1.00 0.09 N ATOM 1902 CA LEU A 124 9.467 -6.898 -1.830 1.00 0.07 C ATOM 1903 C LEU A 124 10.420 -7.083 -0.688 1.00 0.08 C ATOM 1904 O LEU A 124 11.452 -6.459 -0.624 1.00 0.08 O ATOM 1905 CB LEU A 124 8.309 -6.079 -1.346 1.00 0.07 C ATOM 1906 CG LEU A 124 8.706 -4.974 -0.413 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.434 -3.921 -1.182 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.502 -4.425 0.273 1.00 0.05 C ATOM 0 H LEU A 124 8.036 -8.392 -1.986 1.00 0.09 H new ATOM 0 HA LEU A 124 9.959 -6.396 -2.663 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.793 -5.650 -2.205 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.598 -6.733 -0.841 1.00 0.07 H new ATOM 0 HG LEU A 124 9.373 -5.358 0.359 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.725 -3.115 -0.509 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.325 -4.353 -1.637 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.784 -3.525 -1.962 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.802 -3.623 0.948 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.807 -4.033 -0.470 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.016 -5.216 0.843 1.00 0.05 H new ATOM 1920 N ASP A 125 10.031 -7.966 0.196 1.00 0.09 N ATOM 1921 CA ASP A 125 10.781 -8.337 1.365 1.00 0.12 C ATOM 1922 C ASP A 125 12.160 -8.815 0.937 1.00 0.12 C ATOM 1923 O ASP A 125 13.155 -8.624 1.636 1.00 0.19 O ATOM 1924 CB ASP A 125 9.969 -9.432 2.066 1.00 0.21 C ATOM 1925 CG ASP A 125 8.983 -8.909 3.094 1.00 0.97 C ATOM 1926 OD1 ASP A 125 8.363 -9.740 3.791 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.782 -7.678 3.177 1.00 1.21 O1- ATOM 0 H ASP A 125 9.146 -8.466 0.116 1.00 0.09 H new ATOM 0 HA ASP A 125 10.937 -7.506 2.053 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.425 -10.004 1.314 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.656 -10.122 2.555 1.00 0.21 H new ATOM 1932 N LYS A 126 12.194 -9.408 -0.249 1.00 0.10 N ATOM 1933 CA LYS A 126 13.412 -9.850 -0.879 1.00 0.10 C ATOM 1934 C LYS A 126 14.137 -8.725 -1.600 1.00 0.11 C ATOM 1935 O LYS A 126 15.312 -8.856 -1.920 1.00 0.17 O ATOM 1936 CB LYS A 126 13.069 -10.974 -1.856 1.00 0.11 C ATOM 1937 CG LYS A 126 12.209 -12.058 -1.238 1.00 0.13 C ATOM 1938 CD LYS A 126 12.145 -13.321 -2.089 1.00 0.18 C ATOM 1939 CE LYS A 126 13.525 -13.891 -2.379 1.00 0.62 C ATOM 1940 NZ LYS A 126 13.451 -15.185 -3.106 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.357 -9.594 -0.802 1.00 0.10 H new ATOM 0 HA LYS A 126 14.091 -10.207 -0.104 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.549 -10.553 -2.717 1.00 0.11 H new ATOM 0 HB3 LYS A 126 13.992 -11.419 -2.227 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.602 -12.309 -0.253 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.200 -11.674 -1.090 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.544 -14.072 -1.576 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.641 -13.098 -3.030 1.00 0.18 H new ATOM 0 HE2 LYS A 126 14.096 -13.175 -2.970 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.063 -14.032 -1.442 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 14.413 -15.539 -3.284 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 12.928 -15.877 -2.531 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 12.960 -15.046 -4.012 1.00 1.29 H new ATOM 1954 N VAL A 127 13.459 -7.626 -1.858 1.00 0.08 N ATOM 1955 CA VAL A 127 14.105 -6.490 -2.468 1.00 0.07 C ATOM 1956 C VAL A 127 14.512 -5.512 -1.385 1.00 0.06 C ATOM 1957 O VAL A 127 15.492 -4.784 -1.513 1.00 0.06 O ATOM 1958 CB VAL A 127 13.211 -5.779 -3.485 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.002 -4.697 -4.190 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.638 -6.759 -4.496 1.00 0.09 C ATOM 0 H VAL A 127 12.468 -7.498 -1.655 1.00 0.08 H new ATOM 0 HA VAL A 127 14.977 -6.859 -3.008 1.00 0.07 H new ATOM 0 HB VAL A 127 12.375 -5.326 -2.952 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.363 -4.192 -4.914 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.362 -3.974 -3.458 1.00 0.07 H new ATOM 0 HG13 VAL A 127 14.851 -5.145 -4.706 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.007 -6.223 -5.205 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.452 -7.247 -5.032 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.043 -7.511 -3.977 1.00 0.09 H new ATOM 1970 N LEU A 128 13.748 -5.524 -0.308 1.00 0.06 N ATOM 1971 CA LEU A 128 14.083 -4.788 0.888 1.00 0.05 C ATOM 1972 C LEU A 128 15.453 -5.247 1.292 1.00 0.06 C ATOM 1973 O LEU A 128 16.381 -4.479 1.525 1.00 0.06 O ATOM 1974 CB LEU A 128 13.128 -5.159 2.007 1.00 0.06 C ATOM 1975 CG LEU A 128 11.671 -4.870 1.737 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.844 -5.160 2.974 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.490 -3.435 1.291 1.00 0.06 C ATOM 0 H LEU A 128 12.875 -6.048 -0.242 1.00 0.06 H new ATOM 0 HA LEU A 128 14.031 -3.714 0.707 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.237 -6.223 2.217 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.426 -4.624 2.909 1.00 0.06 H new ATOM 0 HG LEU A 128 11.326 -5.520 0.932 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.795 -4.948 2.768 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.955 -6.209 3.248 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.186 -4.532 3.796 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.434 -3.244 1.101 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.845 -2.763 2.073 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.060 -3.263 0.378 1.00 0.06 H new ATOM 1989 N ASP A 129 15.522 -6.562 1.290 1.00 0.06 N ATOM 1990 CA ASP A 129 16.699 -7.338 1.635 1.00 0.07 C ATOM 1991 C ASP A 129 17.864 -6.973 0.776 1.00 0.07 C ATOM 1992 O ASP A 129 18.986 -6.807 1.233 1.00 0.07 O ATOM 1993 CB ASP A 129 16.390 -8.772 1.315 1.00 0.10 C ATOM 1994 CG ASP A 129 16.987 -9.752 2.304 1.00 0.17 C ATOM 1995 OD1 ASP A 129 18.023 -10.374 1.976 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.441 -9.898 3.415 1.00 0.35 O1- ATOM 0 H ASP A 129 14.725 -7.146 1.037 1.00 0.06 H new ATOM 0 HA ASP A 129 16.940 -7.158 2.683 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.309 -8.906 1.290 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.763 -9.002 0.317 1.00 0.10 H new ATOM 2001 N LYS A 130 17.550 -6.935 -0.488 1.00 0.07 N ATOM 2002 CA LYS A 130 18.456 -6.588 -1.545 1.00 0.07 C ATOM 2003 C LYS A 130 19.235 -5.366 -1.176 1.00 0.06 C ATOM 2004 O LYS A 130 20.450 -5.311 -1.314 1.00 0.07 O ATOM 2005 CB LYS A 130 17.577 -6.348 -2.743 1.00 0.08 C ATOM 2006 CG LYS A 130 17.692 -7.373 -3.844 1.00 0.12 C ATOM 2007 CD LYS A 130 17.997 -8.738 -3.293 1.00 0.15 C ATOM 2008 CE LYS A 130 17.796 -9.829 -4.332 1.00 1.00 C ATOM 2009 NZ LYS A 130 16.366 -9.990 -4.701 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.613 -7.155 -0.824 1.00 0.07 H new ATOM 0 HA LYS A 130 19.192 -7.367 -1.744 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.540 -6.312 -2.410 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.814 -5.367 -3.156 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.761 -7.407 -4.410 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.477 -7.076 -4.539 1.00 0.12 H new ATOM 0 HD2 LYS A 130 19.026 -8.763 -2.935 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.356 -8.934 -2.433 1.00 0.15 H new ATOM 0 HE2 LYS A 130 18.376 -9.591 -5.224 1.00 1.00 H new ATOM 0 HE3 LYS A 130 18.179 -10.773 -3.945 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 16.167 -10.993 -4.888 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 15.766 -9.658 -3.919 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 16.163 -9.432 -5.554 1.00 1.66 H new ATOM 2023 N ALA A 131 18.519 -4.425 -0.644 1.00 0.06 N ATOM 2024 CA ALA A 131 19.105 -3.181 -0.219 1.00 0.05 C ATOM 2025 C ALA A 131 19.973 -3.418 0.985 1.00 0.05 C ATOM 2026 O ALA A 131 21.132 -3.043 1.016 1.00 0.05 O ATOM 2027 CB ALA A 131 18.029 -2.201 0.127 1.00 0.04 C ATOM 0 H ALA A 131 17.513 -4.492 -0.490 1.00 0.06 H new ATOM 0 HA ALA A 131 19.710 -2.777 -1.031 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.481 -1.262 0.448 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.404 -2.023 -0.748 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.417 -2.603 0.934 1.00 0.04 H new ATOM 2033 N ILE A 132 19.394 -4.049 1.977 1.00 0.05 N ATOM 2034 CA ILE A 132 20.111 -4.430 3.172 1.00 0.06 C ATOM 2035 C ILE A 132 21.377 -5.181 2.843 1.00 0.08 C ATOM 2036 O ILE A 132 22.321 -5.214 3.628 1.00 0.09 O ATOM 2037 CB ILE A 132 19.239 -5.329 4.030 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.828 -4.767 3.990 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.777 -5.429 5.451 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.913 -5.198 5.107 1.00 0.07 C ATOM 0 H ILE A 132 18.409 -4.314 1.980 1.00 0.05 H new ATOM 0 HA ILE A 132 20.367 -3.514 3.704 1.00 0.06 H new ATOM 0 HB ILE A 132 19.240 -6.348 3.642 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.891 -3.679 3.998 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.371 -5.052 3.042 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.130 -6.080 6.040 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.785 -5.842 5.430 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.801 -4.437 5.902 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.935 -4.736 4.975 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.807 -6.283 5.092 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.335 -4.888 6.063 1.00 0.07 H new ATOM 2052 N SER A 133 21.390 -5.777 1.676 1.00 0.08 N ATOM 2053 CA SER A 133 22.497 -6.554 1.256 1.00 0.10 C ATOM 2054 C SER A 133 23.592 -5.658 0.677 1.00 0.08 C ATOM 2055 O SER A 133 24.739 -6.071 0.505 1.00 0.11 O ATOM 2056 CB SER A 133 22.001 -7.571 0.275 1.00 0.13 C ATOM 2057 OG SER A 133 21.244 -8.575 0.932 1.00 1.33 O ATOM 0 H SER A 133 20.627 -5.728 1.001 1.00 0.08 H new ATOM 0 HA SER A 133 22.951 -7.075 2.099 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.387 -7.084 -0.483 1.00 0.13 H new ATOM 0 HB3 SER A 133 22.845 -8.026 -0.243 1.00 0.13 H new ATOM 0 HG SER A 133 20.362 -8.218 1.168 1.00 1.33 H new ATOM 2063 N LEU A 134 23.206 -4.425 0.382 1.00 0.08 N ATOM 2064 CA LEU A 134 24.135 -3.353 0.079 1.00 0.08 C ATOM 2065 C LEU A 134 24.693 -2.816 1.390 1.00 0.08 C ATOM 2066 O LEU A 134 25.814 -2.310 1.447 1.00 0.10 O ATOM 2067 CB LEU A 134 23.422 -2.227 -0.663 1.00 0.07 C ATOM 2068 CG LEU A 134 23.206 -2.367 -2.163 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.586 -3.689 -2.541 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.338 -1.217 -2.611 1.00 0.08 C ATOM 0 H LEU A 134 22.227 -4.141 0.347 1.00 0.08 H new ATOM 0 HA LEU A 134 24.938 -3.734 -0.553 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.445 -2.091 -0.199 1.00 0.07 H new ATOM 0 HB3 LEU A 134 23.986 -1.310 -0.494 1.00 0.07 H new ATOM 0 HG LEU A 134 24.173 -2.341 -2.665 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.455 -3.734 -3.622 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.238 -4.502 -2.221 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.616 -3.789 -2.054 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.164 -1.289 -3.685 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.384 -1.255 -2.086 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.838 -0.275 -2.387 1.00 0.08 H new ATOM 2082 N GLY A 135 23.880 -2.931 2.442 1.00 0.09 N ATOM 2083 CA GLY A 135 24.286 -2.491 3.759 1.00 0.12 C ATOM 2084 C GLY A 135 25.373 -3.359 4.358 1.00 0.27 C ATOM 2085 O GLY A 135 26.156 -2.848 5.185 1.00 1.05 O ATOM 2086 OXT GLY A 135 25.452 -4.553 4.013 1.00 1.19 O ATOM 0 H GLY A 135 22.940 -3.326 2.398 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.640 -1.462 3.700 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.420 -2.493 4.421 1.00 0.12 H new TER 2090 GLY A 135