USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1045 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 ASN : amide:sc= -0.0425 K(o=0.37,f=-7.3!) USER MOD Set 1.2: A 42 THR OG1 : rot 108:sc= 0.413 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= -0.345 USER MOD Set 2.3: A 77 SER OG : rot 1:sc= 1.06 USER MOD Set 2.4: A 81 GLN :FLIP amide:sc= -0.949! F(o=-1.1,f=-0.23!) USER MOD Set 3.1: A 4 GLN : amide:sc= -0.295! C(o=0.49!,f=-3.3!) USER MOD Set 3.2: A 8 SER OG : rot -118:sc= 0.781 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 166:sc= -0.0521 (180deg=-0.377) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= -0.0365 (180deg=-0.237) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 123:sc= 0.11 USER MOD Single : A 16 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.041) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 154:sc= 1.07 USER MOD Single : A 19 THR OG1 : rot 170:sc= 0.919 USER MOD Single : A 21 ASN : amide:sc= 0.505 K(o=0.5,f=-0.62) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.19 F(o=-5.2!,f=-2.2) USER MOD Single : A 23 SER OG : rot -38:sc= 0.0256 USER MOD Single : A 29 ASN : amide:sc= -3.28! C(o=-3.3!,f=-5.5!) USER MOD Single : A 30 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 40 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.8!) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.072! (180deg=-1.34!) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= -0.122 (180deg=-0.5) USER MOD Single : A 46 ASN : amide:sc= -5.83! C(o=-5.8!,f=-12!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -1.3 F(o=-3.7!,f=-1.3) USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= 0.292 (180deg=0.0133) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.058) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= -0.727 (180deg=-0.727) USER MOD Single : A 65 SER OG : rot 150:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -11.4! C(o=-14!,f=-11!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= -0.16 (180deg=-0.79) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= -0.0297 (180deg=-0.113) USER MOD Single : A 75 TYR OH : rot 165:sc= -1.2 USER MOD Single : A 80 THR OG1 : rot 57:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.43 F(o=-2.4!,f=-1.4) USER MOD Single : A 89 ASN : amide:sc= -7! C(o=-7!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= -0.0041 K(o=-0.0041,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0206) 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+ -160:sc= 0.97 (180deg=0.599) 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= -0.0333 USER MOD Single : A 118 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.011) USER MOD Single : A 119 THR OG1 : rot -79:sc= -0.11! USER MOD Single : A 121 ASN : amide:sc= -5.25! C(o=-5.3!,f=-8.8!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : A 126 LYS NZ :NH3+ 169:sc=-0.00246 (180deg=-0.151) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 74:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -43.148 -13.215 8.385 1.00 22.48 N ATOM 2 CA GLY A 1 -43.467 -13.252 9.829 1.00 22.34 C ATOM 3 C GLY A 1 -42.416 -12.542 10.650 1.00 22.10 C ATOM 4 O GLY A 1 -42.045 -11.410 10.342 1.00 22.12 O ATOM 0 H1 GLY A 1 -43.891 -13.712 7.853 1.00 22.48 H new ATOM 0 H2 GLY A 1 -43.096 -12.226 8.066 1.00 22.48 H new ATOM 0 H3 GLY A 1 -42.233 -13.681 8.220 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -44.438 -12.787 10.000 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -43.548 -14.288 10.158 1.00 22.34 H new ATOM 10 N HIS A 2 -41.917 -13.211 11.678 1.00 21.98 N ATOM 11 CA HIS A 2 -40.901 -12.632 12.545 1.00 21.88 C ATOM 12 C HIS A 2 -39.530 -12.750 11.897 1.00 21.50 C ATOM 13 O HIS A 2 -38.865 -13.782 12.009 1.00 21.64 O ATOM 14 CB HIS A 2 -40.898 -13.316 13.916 1.00 22.32 C ATOM 15 CG HIS A 2 -42.116 -13.032 14.739 1.00 22.67 C ATOM 16 ND1 HIS A 2 -42.235 -11.928 15.554 1.00 22.91 N ATOM 17 CD2 HIS A 2 -43.275 -13.718 14.869 1.00 22.94 C ATOM 18 CE1 HIS A 2 -43.411 -11.949 16.152 1.00 23.31 C ATOM 19 NE2 HIS A 2 -44.062 -13.024 15.752 1.00 23.33 N ATOM 0 H HIS A 2 -42.199 -14.157 11.933 1.00 21.98 H new ATOM 0 HA HIS A 2 -41.136 -11.578 12.690 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -40.811 -14.393 13.773 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -40.015 -12.995 14.469 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -43.532 -14.641 14.370 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -43.778 -11.211 16.850 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -44.999 -13.295 16.051 1.00 23.33 H new ATOM 28 N MET A 3 -39.119 -11.696 11.209 1.00 21.13 N ATOM 29 CA MET A 3 -37.840 -11.692 10.512 1.00 20.87 C ATOM 30 C MET A 3 -36.885 -10.665 11.112 1.00 20.26 C ATOM 31 O MET A 3 -35.689 -10.678 10.821 1.00 20.24 O ATOM 32 CB MET A 3 -38.041 -11.390 9.022 1.00 21.09 C ATOM 33 CG MET A 3 -38.590 -9.998 8.742 1.00 21.38 C ATOM 34 SD MET A 3 -38.632 -9.600 6.982 1.00 21.89 S ATOM 35 CE MET A 3 -39.748 -10.860 6.371 1.00 22.11 C ATOM 0 H MET A 3 -39.652 -10.831 11.118 1.00 21.13 H new ATOM 0 HA MET A 3 -37.402 -12.684 10.626 1.00 20.87 H new ATOM 0 HB2 MET A 3 -37.087 -11.504 8.507 1.00 21.09 H new ATOM 0 HB3 MET A 3 -38.722 -12.130 8.600 1.00 21.09 H new ATOM 0 HG2 MET A 3 -39.598 -9.921 9.151 1.00 21.38 H new ATOM 0 HG3 MET A 3 -37.978 -9.260 9.262 1.00 21.38 H new ATOM 0 HE1 MET A 3 -40.070 -10.603 5.362 1.00 22.11 H new ATOM 0 HE2 MET A 3 -39.236 -11.822 6.355 1.00 22.11 H new ATOM 0 HE3 MET A 3 -40.618 -10.923 7.024 1.00 22.11 H new ATOM 45 N GLN A 4 -37.408 -9.776 11.945 1.00 19.88 N ATOM 46 CA GLN A 4 -36.608 -8.688 12.483 1.00 19.37 C ATOM 47 C GLN A 4 -37.189 -8.192 13.806 1.00 18.69 C ATOM 48 O GLN A 4 -38.396 -7.964 13.915 1.00 18.61 O ATOM 49 CB GLN A 4 -36.567 -7.543 11.469 1.00 19.44 C ATOM 50 CG GLN A 4 -35.402 -6.587 11.651 1.00 19.70 C ATOM 51 CD GLN A 4 -34.114 -7.063 10.992 1.00 20.20 C ATOM 52 OE1 GLN A 4 -33.297 -6.249 10.557 1.00 20.59 O ATOM 53 NE2 GLN A 4 -33.920 -8.373 10.900 1.00 20.31 N ATOM 0 H GLN A 4 -38.378 -9.787 12.261 1.00 19.88 H new ATOM 0 HA GLN A 4 -35.597 -9.051 12.670 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -36.522 -7.964 10.465 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -37.498 -6.980 11.537 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -35.673 -5.615 11.240 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -35.224 -6.444 12.717 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -34.617 -9.019 11.271 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -33.074 -8.734 10.459 1.00 20.31 H new ATOM 62 N VAL A 5 -36.332 -8.035 14.809 1.00 18.32 N ATOM 63 CA VAL A 5 -36.764 -7.547 16.118 1.00 17.78 C ATOM 64 C VAL A 5 -35.991 -6.297 16.530 1.00 17.06 C ATOM 65 O VAL A 5 -36.268 -5.701 17.572 1.00 16.99 O ATOM 66 CB VAL A 5 -36.604 -8.618 17.221 1.00 18.09 C ATOM 67 CG1 VAL A 5 -37.597 -9.749 17.028 1.00 18.26 C ATOM 68 CG2 VAL A 5 -35.183 -9.158 17.252 1.00 18.37 C ATOM 0 H VAL A 5 -35.335 -8.238 14.743 1.00 18.32 H new ATOM 0 HA VAL A 5 -37.822 -7.304 16.015 1.00 17.78 H new ATOM 0 HB VAL A 5 -36.810 -8.142 18.179 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -37.463 -10.489 17.817 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -38.612 -9.353 17.070 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -37.430 -10.218 16.058 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -35.097 -9.910 18.036 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -34.944 -9.609 16.289 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -34.488 -8.343 17.453 1.00 18.37 H new ATOM 78 N ALA A 6 -35.020 -5.907 15.717 1.00 16.65 N ATOM 79 CA ALA A 6 -34.231 -4.716 15.996 1.00 16.09 C ATOM 80 C ALA A 6 -34.927 -3.476 15.448 1.00 15.56 C ATOM 81 O ALA A 6 -35.996 -3.585 14.839 1.00 15.23 O ATOM 82 CB ALA A 6 -32.836 -4.850 15.408 1.00 16.02 C ATOM 0 H ALA A 6 -34.760 -6.397 14.861 1.00 16.65 H new ATOM 0 HA ALA A 6 -34.138 -4.609 17.077 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -32.261 -3.950 15.627 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -32.338 -5.715 15.847 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -32.907 -4.982 14.328 1.00 16.02 H new ATOM 88 N ARG A 7 -34.341 -2.305 15.665 1.00 15.63 N ATOM 89 CA ARG A 7 -34.923 -1.066 15.157 1.00 15.34 C ATOM 90 C ARG A 7 -34.864 -1.072 13.639 1.00 14.74 C ATOM 91 O ARG A 7 -35.870 -0.834 12.971 1.00 14.45 O ATOM 92 CB ARG A 7 -34.200 0.168 15.711 1.00 15.83 C ATOM 93 CG ARG A 7 -34.493 0.464 17.180 1.00 16.12 C ATOM 94 CD ARG A 7 -33.940 -0.611 18.102 1.00 16.49 C ATOM 95 NE ARG A 7 -32.492 -0.750 17.968 1.00 16.78 N ATOM 96 CZ ARG A 7 -31.797 -1.802 18.395 1.00 17.15 C ATOM 97 NH1 ARG A 7 -32.413 -2.827 18.975 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -30.483 -1.835 18.230 1.00 17.53 N ATOM 0 H ARG A 7 -33.471 -2.186 16.184 1.00 15.63 H new ATOM 0 HA ARG A 7 -35.960 -1.011 15.488 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -33.126 0.030 15.588 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -34.480 1.036 15.115 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -34.061 1.428 17.448 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -35.570 0.546 17.325 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -34.187 -0.366 19.135 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -34.419 -1.564 17.877 1.00 16.49 H new ATOM 0 HE ARG A 7 -31.980 0.009 17.518 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -33.426 -2.811 19.096 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -31.873 -3.629 19.299 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -30.006 -1.056 17.777 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -29.948 -2.640 18.556 1.00 17.53 H new ATOM 112 N SER A 8 -33.679 -1.365 13.115 1.00 14.73 N ATOM 113 CA SER A 8 -33.483 -1.585 11.688 1.00 14.36 C ATOM 114 C SER A 8 -33.840 -0.355 10.856 1.00 13.83 C ATOM 115 O SER A 8 -34.979 -0.187 10.413 1.00 13.83 O ATOM 116 CB SER A 8 -34.303 -2.791 11.244 1.00 14.71 C ATOM 117 OG SER A 8 -33.974 -3.929 12.022 1.00 15.09 O ATOM 0 H SER A 8 -32.827 -1.457 13.668 1.00 14.73 H new ATOM 0 HA SER A 8 -32.423 -1.778 11.520 1.00 14.36 H new ATOM 0 HB2 SER A 8 -35.366 -2.571 11.342 1.00 14.71 H new ATOM 0 HB3 SER A 8 -34.116 -2.997 10.190 1.00 14.71 H new ATOM 0 HG SER A 8 -33.605 -4.627 11.441 1.00 15.09 H new ATOM 123 N THR A 9 -32.843 0.484 10.624 1.00 13.57 N ATOM 124 CA THR A 9 -33.015 1.692 9.834 1.00 13.24 C ATOM 125 C THR A 9 -33.222 1.346 8.356 1.00 12.78 C ATOM 126 O THR A 9 -33.806 2.124 7.602 1.00 12.86 O ATOM 127 CB THR A 9 -31.790 2.622 9.991 1.00 13.31 C ATOM 128 OG1 THR A 9 -31.979 3.849 9.272 1.00 13.75 O ATOM 129 CG2 THR A 9 -30.527 1.934 9.499 1.00 13.07 C ATOM 0 H THR A 9 -31.896 0.347 10.977 1.00 13.57 H new ATOM 0 HA THR A 9 -33.901 2.212 10.199 1.00 13.24 H new ATOM 0 HB THR A 9 -31.683 2.850 11.052 1.00 13.31 H new ATOM 0 HG1 THR A 9 -31.192 4.421 9.388 1.00 13.75 H new ATOM 0 HG21 THR A 9 -29.677 2.606 9.618 1.00 13.07 H new ATOM 0 HG22 THR A 9 -30.357 1.027 10.079 1.00 13.07 H new ATOM 0 HG23 THR A 9 -30.640 1.675 8.446 1.00 13.07 H new ATOM 137 N LYS A 10 -32.740 0.174 7.952 1.00 12.51 N ATOM 138 CA LYS A 10 -32.896 -0.292 6.581 1.00 12.26 C ATOM 139 C LYS A 10 -32.875 -1.821 6.550 1.00 11.57 C ATOM 140 O LYS A 10 -32.534 -2.430 5.534 1.00 11.56 O ATOM 141 CB LYS A 10 -31.775 0.280 5.700 1.00 12.85 C ATOM 142 CG LYS A 10 -32.021 0.127 4.205 1.00 13.32 C ATOM 143 CD LYS A 10 -30.845 0.639 3.388 1.00 13.86 C ATOM 144 CE LYS A 10 -31.104 0.518 1.893 1.00 14.21 C ATOM 145 NZ LYS A 10 -32.275 1.327 1.459 1.00 14.58 N1+ ATOM 0 H LYS A 10 -32.236 -0.472 8.560 1.00 12.51 H new ATOM 0 HA LYS A 10 -33.853 0.054 6.190 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -31.650 1.338 5.931 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -30.838 -0.215 5.956 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -32.198 -0.923 3.971 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -32.923 0.672 3.927 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -30.652 1.682 3.641 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -29.948 0.077 3.649 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -30.219 0.840 1.345 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -31.273 -0.528 1.639 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -32.285 1.394 0.421 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -33.151 0.872 1.785 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -32.208 2.281 1.867 1.00 14.58 H new ATOM 159 N GLU A 11 -33.249 -2.428 7.677 1.00 11.20 N ATOM 160 CA GLU A 11 -33.212 -3.889 7.847 1.00 10.71 C ATOM 161 C GLU A 11 -31.782 -4.421 7.824 1.00 9.66 C ATOM 162 O GLU A 11 -30.859 -3.763 7.332 1.00 9.26 O ATOM 163 CB GLU A 11 -34.044 -4.616 6.781 1.00 11.05 C ATOM 164 CG GLU A 11 -35.545 -4.592 7.024 1.00 11.92 C ATOM 165 CD GLU A 11 -36.165 -3.231 6.801 1.00 12.59 C ATOM 166 OE1 GLU A 11 -36.405 -2.518 7.796 1.00 13.16 O ATOM 167 OE2 GLU A 11 -36.399 -2.863 5.633 1.00 12.70 O1- ATOM 0 H GLU A 11 -33.586 -1.926 8.498 1.00 11.20 H new ATOM 0 HA GLU A 11 -33.650 -4.091 8.824 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -33.839 -4.166 5.810 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -33.715 -5.654 6.727 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -36.025 -5.315 6.364 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -35.746 -4.912 8.046 1.00 11.92 H new ATOM 174 N ILE A 12 -31.595 -5.600 8.390 1.00 9.40 N ATOM 175 CA ILE A 12 -30.313 -6.273 8.332 1.00 8.58 C ATOM 176 C ILE A 12 -30.356 -7.393 7.302 1.00 8.21 C ATOM 177 O ILE A 12 -30.486 -8.572 7.642 1.00 8.57 O ATOM 178 CB ILE A 12 -29.903 -6.846 9.702 1.00 8.89 C ATOM 179 CG1 ILE A 12 -29.962 -5.750 10.771 1.00 9.53 C ATOM 180 CG2 ILE A 12 -28.506 -7.446 9.618 1.00 8.32 C ATOM 181 CD1 ILE A 12 -29.609 -6.232 12.162 1.00 10.10 C ATOM 0 H ILE A 12 -32.318 -6.111 8.896 1.00 9.40 H new ATOM 0 HA ILE A 12 -29.568 -5.532 8.041 1.00 8.58 H new ATOM 0 HB ILE A 12 -30.601 -7.635 9.983 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -29.281 -4.946 10.492 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -30.966 -5.326 10.788 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -28.224 -7.849 10.591 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -28.498 -8.246 8.878 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -27.795 -6.673 9.325 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -29.673 -5.400 12.863 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -30.305 -7.015 12.463 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -28.594 -6.629 12.163 1.00 10.10 H new ATOM 193 N GLU A 13 -30.296 -7.014 6.039 1.00 7.77 N ATOM 194 CA GLU A 13 -30.273 -7.974 4.958 1.00 7.68 C ATOM 195 C GLU A 13 -29.157 -7.636 3.980 1.00 6.98 C ATOM 196 O GLU A 13 -28.248 -8.432 3.753 1.00 6.99 O ATOM 197 CB GLU A 13 -31.610 -7.970 4.225 1.00 8.41 C ATOM 198 CG GLU A 13 -32.807 -8.201 5.122 1.00 9.30 C ATOM 199 CD GLU A 13 -34.115 -8.169 4.357 1.00 10.20 C ATOM 200 OE1 GLU A 13 -34.439 -9.167 3.680 1.00 10.61 O ATOM 201 OE2 GLU A 13 -34.825 -7.142 4.421 1.00 10.66 O1- ATOM 0 H GLU A 13 -30.262 -6.040 5.738 1.00 7.77 H new ATOM 0 HA GLU A 13 -30.095 -8.965 5.377 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -31.730 -7.014 3.716 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -31.592 -8.741 3.455 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -32.704 -9.165 5.620 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -32.826 -7.439 5.902 1.00 9.30 H new ATOM 208 N THR A 14 -29.240 -6.448 3.402 1.00 6.67 N ATOM 209 CA THR A 14 -28.239 -5.989 2.457 1.00 6.26 C ATOM 210 C THR A 14 -27.261 -5.034 3.141 1.00 5.40 C ATOM 211 O THR A 14 -26.132 -4.847 2.683 1.00 5.42 O ATOM 212 CB THR A 14 -28.896 -5.303 1.232 1.00 6.72 C ATOM 213 OG1 THR A 14 -27.906 -4.951 0.262 1.00 7.42 O ATOM 214 CG2 THR A 14 -29.668 -4.055 1.640 1.00 7.00 C ATOM 0 H THR A 14 -29.994 -5.783 3.573 1.00 6.67 H new ATOM 0 HA THR A 14 -27.690 -6.860 2.099 1.00 6.26 H new ATOM 0 HB THR A 14 -29.595 -6.017 0.796 1.00 6.72 H new ATOM 0 HG1 THR A 14 -28.338 -4.521 -0.505 1.00 7.42 H new ATOM 0 HG21 THR A 14 -30.116 -3.599 0.757 1.00 7.00 H new ATOM 0 HG22 THR A 14 -30.453 -4.327 2.345 1.00 7.00 H new ATOM 0 HG23 THR A 14 -28.988 -3.344 2.110 1.00 7.00 H new ATOM 222 N SER A 15 -27.693 -4.452 4.254 1.00 5.02 N ATOM 223 CA SER A 15 -26.863 -3.523 5.006 1.00 4.54 C ATOM 224 C SER A 15 -25.684 -4.248 5.652 1.00 3.88 C ATOM 225 O SER A 15 -25.866 -5.214 6.398 1.00 4.02 O ATOM 226 CB SER A 15 -27.703 -2.820 6.075 1.00 5.20 C ATOM 227 OG SER A 15 -28.841 -2.196 5.500 1.00 6.06 O ATOM 0 H SER A 15 -28.617 -4.609 4.655 1.00 5.02 H new ATOM 0 HA SER A 15 -26.467 -2.777 4.317 1.00 4.54 H new ATOM 0 HB2 SER A 15 -28.021 -3.543 6.826 1.00 5.20 H new ATOM 0 HB3 SER A 15 -27.095 -2.074 6.588 1.00 5.20 H new ATOM 0 HG SER A 15 -29.653 -2.539 5.928 1.00 6.06 H new ATOM 233 N GLN A 16 -24.480 -3.786 5.353 1.00 3.65 N ATOM 234 CA GLN A 16 -23.268 -4.362 5.917 1.00 3.49 C ATOM 235 C GLN A 16 -22.526 -3.305 6.729 1.00 2.88 C ATOM 236 O GLN A 16 -21.377 -2.967 6.430 1.00 3.21 O ATOM 237 CB GLN A 16 -22.373 -4.914 4.811 1.00 4.06 C ATOM 238 CG GLN A 16 -21.216 -5.756 5.325 1.00 4.50 C ATOM 239 CD GLN A 16 -21.662 -7.094 5.885 1.00 5.43 C ATOM 240 OE1 GLN A 16 -21.751 -8.083 5.159 1.00 5.86 O ATOM 241 NE2 GLN A 16 -21.927 -7.140 7.182 1.00 6.06 N ATOM 0 H GLN A 16 -24.315 -3.006 4.717 1.00 3.65 H new ATOM 0 HA GLN A 16 -23.541 -5.187 6.575 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -22.977 -5.518 4.134 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -21.975 -4.083 4.229 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -20.508 -5.925 4.514 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -20.686 -5.202 6.100 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -21.841 -6.297 7.750 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -22.217 -8.018 7.612 1.00 6.06 H new ATOM 250 N SER A 17 -23.208 -2.777 7.746 1.00 2.48 N ATOM 251 CA SER A 17 -22.668 -1.725 8.605 1.00 2.00 C ATOM 252 C SER A 17 -22.499 -0.416 7.833 1.00 1.45 C ATOM 253 O SER A 17 -23.341 0.477 7.913 1.00 1.99 O ATOM 254 CB SER A 17 -21.339 -2.168 9.229 1.00 2.29 C ATOM 255 OG SER A 17 -21.497 -3.383 9.943 1.00 2.91 O ATOM 0 H SER A 17 -24.153 -3.068 7.997 1.00 2.48 H new ATOM 0 HA SER A 17 -23.381 -1.546 9.410 1.00 2.00 H new ATOM 0 HB2 SER A 17 -20.590 -2.295 8.447 1.00 2.29 H new ATOM 0 HB3 SER A 17 -20.971 -1.392 9.900 1.00 2.29 H new ATOM 0 HG SER A 17 -20.637 -3.648 10.331 1.00 2.91 H new ATOM 261 N THR A 18 -21.422 -0.331 7.071 1.00 1.04 N ATOM 262 CA THR A 18 -21.105 0.834 6.264 1.00 0.58 C ATOM 263 C THR A 18 -20.291 0.394 5.067 1.00 0.63 C ATOM 264 O THR A 18 -19.423 -0.452 5.197 1.00 1.40 O ATOM 265 CB THR A 18 -20.308 1.876 7.057 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.351 1.230 7.912 1.00 1.44 O ATOM 267 CG2 THR A 18 -21.220 2.770 7.878 1.00 1.26 C ATOM 0 H THR A 18 -20.734 -1.080 6.995 1.00 1.04 H new ATOM 0 HA THR A 18 -22.041 1.295 5.950 1.00 0.58 H new ATOM 0 HB THR A 18 -19.780 2.504 6.339 1.00 0.91 H new ATOM 0 HG1 THR A 18 -18.601 1.838 8.082 1.00 1.44 H new ATOM 0 HG21 THR A 18 -20.620 3.496 8.427 1.00 1.26 H new ATOM 0 HG22 THR A 18 -21.908 3.295 7.215 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.788 2.162 8.582 1.00 1.26 H new ATOM 275 N THR A 19 -20.564 0.937 3.901 1.00 0.61 N ATOM 276 CA THR A 19 -19.815 0.542 2.723 1.00 0.56 C ATOM 277 C THR A 19 -19.230 1.741 2.009 1.00 0.64 C ATOM 278 O THR A 19 -19.798 2.833 2.011 1.00 1.25 O ATOM 279 CB THR A 19 -20.669 -0.288 1.748 1.00 0.63 C ATOM 280 OG1 THR A 19 -21.281 -1.380 2.449 1.00 0.66 O ATOM 281 CG2 THR A 19 -19.806 -0.837 0.618 1.00 0.66 C ATOM 0 H THR A 19 -21.285 1.641 3.741 1.00 0.61 H new ATOM 0 HA THR A 19 -18.996 -0.086 3.074 1.00 0.56 H new ATOM 0 HB THR A 19 -21.439 0.357 1.326 1.00 0.63 H new ATOM 0 HG1 THR A 19 -21.946 -1.808 1.871 1.00 0.66 H new ATOM 0 HG21 THR A 19 -20.426 -1.421 -0.062 1.00 0.66 H new ATOM 0 HG22 THR A 19 -19.350 -0.010 0.074 1.00 0.66 H new ATOM 0 HG23 THR A 19 -19.024 -1.473 1.033 1.00 0.66 H new ATOM 289 N ALA A 20 -18.068 1.514 1.422 1.00 0.26 N ATOM 290 CA ALA A 20 -17.327 2.547 0.746 1.00 0.22 C ATOM 291 C ALA A 20 -17.923 2.866 -0.601 1.00 0.24 C ATOM 292 O ALA A 20 -18.933 2.301 -1.021 1.00 0.39 O ATOM 293 CB ALA A 20 -15.902 2.124 0.568 1.00 0.31 C ATOM 0 H ALA A 20 -17.615 0.600 1.405 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.374 3.444 1.364 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.350 2.912 0.056 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.452 1.941 1.544 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.865 1.210 -0.025 1.00 0.31 H new ATOM 299 N ASN A 21 -17.249 3.759 -1.270 1.00 0.23 N ATOM 300 CA ASN A 21 -17.679 4.300 -2.529 1.00 0.24 C ATOM 301 C ASN A 21 -16.563 4.070 -3.517 1.00 0.25 C ATOM 302 O ASN A 21 -15.429 3.904 -3.115 1.00 0.26 O ATOM 303 CB ASN A 21 -17.933 5.785 -2.313 1.00 0.27 C ATOM 304 CG ASN A 21 -18.989 6.010 -1.232 1.00 0.35 C ATOM 305 OD1 ASN A 21 -20.162 6.237 -1.531 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.590 5.894 0.038 1.00 0.35 N ATOM 0 H ASN A 21 -16.361 4.141 -0.946 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.589 3.834 -2.908 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -17.004 6.278 -2.027 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -18.261 6.241 -3.247 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.265 5.994 0.796 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.610 5.706 0.250 1.00 0.35 H new ATOM 313 N GLN A 22 -16.850 4.039 -4.797 1.00 0.34 N ATOM 314 CA GLN A 22 -15.797 3.776 -5.770 1.00 0.40 C ATOM 315 C GLN A 22 -14.944 5.007 -5.991 1.00 0.42 C ATOM 316 O GLN A 22 -13.850 4.921 -6.534 1.00 0.48 O ATOM 317 CB GLN A 22 -16.374 3.280 -7.087 1.00 0.51 C ATOM 318 CG GLN A 22 -16.337 1.772 -7.244 1.00 0.51 C ATOM 319 CD GLN A 22 -16.704 1.057 -5.970 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.711 0.857 -5.125 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.865 0.719 -5.733 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.779 4.188 -5.190 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.162 2.989 -5.364 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.406 3.619 -7.171 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -15.821 3.735 -7.909 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -17.024 1.474 -8.036 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.339 1.465 -7.556 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.598 0.896 -6.420 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -18.093 0.262 -4.850 1.00 0.38 H new ATOM 330 N SER A 23 -15.432 6.145 -5.540 1.00 0.41 N ATOM 331 CA SER A 23 -14.639 7.343 -5.539 1.00 0.47 C ATOM 332 C SER A 23 -13.757 7.316 -4.306 1.00 0.41 C ATOM 333 O SER A 23 -12.838 8.118 -4.148 1.00 0.49 O ATOM 334 CB SER A 23 -15.536 8.589 -5.570 1.00 0.52 C ATOM 335 OG SER A 23 -14.784 9.770 -5.806 1.00 1.36 O ATOM 0 H SER A 23 -16.376 6.259 -5.170 1.00 0.41 H new ATOM 0 HA SER A 23 -14.015 7.388 -6.431 1.00 0.47 H new ATOM 0 HB2 SER A 23 -16.290 8.476 -6.349 1.00 0.52 H new ATOM 0 HB3 SER A 23 -16.067 8.679 -4.623 1.00 0.52 H new ATOM 0 HG SER A 23 -13.925 9.710 -5.337 1.00 1.36 H new ATOM 341 N ASP A 24 -14.042 6.347 -3.449 1.00 0.31 N ATOM 342 CA ASP A 24 -13.244 6.090 -2.289 1.00 0.34 C ATOM 343 C ASP A 24 -12.278 4.974 -2.605 1.00 0.35 C ATOM 344 O ASP A 24 -11.077 5.052 -2.362 1.00 0.53 O ATOM 345 CB ASP A 24 -14.111 5.631 -1.127 1.00 0.36 C ATOM 346 CG ASP A 24 -15.146 6.638 -0.677 1.00 0.86 C ATOM 347 OD1 ASP A 24 -16.058 6.285 0.100 1.00 1.27 O ATOM 348 OD2 ASP A 24 -15.047 7.798 -1.116 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.841 5.721 -3.551 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.724 7.008 -2.016 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.619 4.710 -1.412 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.466 5.391 -0.282 1.00 0.36 H new ATOM 353 N VAL A 25 -12.849 3.945 -3.202 1.00 0.22 N ATOM 354 CA VAL A 25 -12.211 2.661 -3.335 1.00 0.20 C ATOM 355 C VAL A 25 -11.329 2.563 -4.561 1.00 0.22 C ATOM 356 O VAL A 25 -10.170 2.180 -4.464 1.00 0.23 O ATOM 357 CB VAL A 25 -13.263 1.533 -3.376 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.636 0.205 -3.761 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.973 1.412 -2.047 1.00 0.85 C ATOM 0 H VAL A 25 -13.782 3.984 -3.612 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.573 2.548 -2.459 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.995 1.795 -4.140 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.404 -0.568 -3.781 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.181 0.290 -4.748 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.872 -0.062 -3.031 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.710 0.611 -2.100 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.247 1.187 -1.266 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.475 2.352 -1.816 1.00 0.85 H new ATOM 369 N ASP A 26 -11.889 2.887 -5.708 1.00 0.25 N ATOM 370 CA ASP A 26 -11.193 2.717 -6.972 1.00 0.27 C ATOM 371 C ASP A 26 -9.878 3.486 -6.987 1.00 0.23 C ATOM 372 O ASP A 26 -8.845 2.917 -7.282 1.00 0.22 O ATOM 373 CB ASP A 26 -12.055 3.146 -8.157 1.00 0.32 C ATOM 374 CG ASP A 26 -11.370 2.863 -9.481 1.00 0.39 C ATOM 375 OD1 ASP A 26 -11.382 1.691 -9.918 1.00 0.51 O ATOM 376 OD2 ASP A 26 -10.813 3.804 -10.084 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.830 3.272 -5.794 1.00 0.25 H new ATOM 0 HA ASP A 26 -10.980 1.653 -7.071 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -13.010 2.621 -8.122 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.274 4.211 -8.081 1.00 0.32 H new ATOM 381 N ASP A 27 -9.917 4.770 -6.631 1.00 0.22 N ATOM 382 CA ASP A 27 -8.706 5.594 -6.614 1.00 0.21 C ATOM 383 C ASP A 27 -7.760 5.082 -5.573 1.00 0.16 C ATOM 384 O ASP A 27 -6.547 5.088 -5.777 1.00 0.16 O ATOM 385 CB ASP A 27 -8.986 7.066 -6.308 1.00 0.24 C ATOM 386 CG ASP A 27 -9.509 7.831 -7.503 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.496 8.584 -7.350 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.932 7.684 -8.601 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.767 5.260 -6.352 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.278 5.528 -7.614 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.711 7.131 -5.497 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -8.069 7.538 -5.955 1.00 0.24 H new ATOM 393 N PHE A 28 -8.323 4.648 -4.453 1.00 0.13 N ATOM 394 CA PHE A 28 -7.535 4.029 -3.419 1.00 0.10 C ATOM 395 C PHE A 28 -6.769 2.900 -4.034 1.00 0.10 C ATOM 396 O PHE A 28 -5.559 2.943 -4.161 1.00 0.09 O ATOM 397 CB PHE A 28 -8.401 3.465 -2.290 1.00 0.09 C ATOM 398 CG PHE A 28 -7.602 2.657 -1.326 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.892 3.280 -0.331 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.535 1.282 -1.434 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.122 2.556 0.540 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.769 0.553 -0.566 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.055 1.182 0.419 1.00 0.08 C ATOM 0 H PHE A 28 -9.319 4.717 -4.246 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.878 4.786 -2.991 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.887 4.285 -1.761 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.192 2.846 -2.714 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -6.941 4.354 -0.233 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.092 0.778 -2.210 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.569 3.058 1.320 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -6.727 -0.522 -0.658 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.443 0.606 1.098 1.00 0.08 H new ATOM 413 N ASN A 29 -7.537 1.942 -4.492 1.00 0.12 N ATOM 414 CA ASN A 29 -7.030 0.693 -5.030 1.00 0.13 C ATOM 415 C ASN A 29 -6.171 0.915 -6.240 1.00 0.13 C ATOM 416 O ASN A 29 -5.335 0.089 -6.581 1.00 0.14 O ATOM 417 CB ASN A 29 -8.202 -0.195 -5.410 1.00 0.19 C ATOM 418 CG ASN A 29 -8.688 -1.036 -4.259 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.271 -2.180 -4.086 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.555 -0.465 -3.450 1.00 0.23 N ATOM 0 H ASN A 29 -8.555 2.005 -4.504 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.417 0.219 -4.263 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -9.021 0.426 -5.773 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.908 -0.847 -6.233 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -9.909 -0.974 -2.640 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.873 0.487 -3.633 1.00 0.23 H new ATOM 427 N THR A 30 -6.378 2.030 -6.880 1.00 0.13 N ATOM 428 CA THR A 30 -5.701 2.321 -8.098 1.00 0.14 C ATOM 429 C THR A 30 -4.362 2.958 -7.833 1.00 0.12 C ATOM 430 O THR A 30 -3.357 2.593 -8.437 1.00 0.12 O ATOM 431 CB THR A 30 -6.543 3.238 -8.968 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.622 2.500 -9.559 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.698 3.882 -10.037 1.00 0.17 C ATOM 0 H THR A 30 -7.021 2.758 -6.568 1.00 0.13 H new ATOM 0 HA THR A 30 -5.540 1.380 -8.623 1.00 0.14 H new ATOM 0 HB THR A 30 -6.958 4.028 -8.341 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.381 2.477 -8.939 1.00 0.20 H new ATOM 0 HG21 THR A 30 -6.321 4.535 -10.649 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.906 4.468 -9.571 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.255 3.109 -10.665 1.00 0.17 H new ATOM 441 N LEU A 31 -4.351 3.898 -6.911 1.00 0.12 N ATOM 442 CA LEU A 31 -3.133 4.554 -6.534 1.00 0.12 C ATOM 443 C LEU A 31 -2.311 3.553 -5.767 1.00 0.11 C ATOM 444 O LEU A 31 -1.102 3.508 -5.857 1.00 0.12 O ATOM 445 CB LEU A 31 -3.446 5.781 -5.689 1.00 0.14 C ATOM 446 CG LEU A 31 -2.251 6.691 -5.394 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.490 7.008 -6.672 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.729 7.969 -4.739 1.00 0.53 C ATOM 0 H LEU A 31 -5.180 4.220 -6.411 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.579 4.899 -7.407 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.212 6.367 -6.197 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.873 5.451 -4.742 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.576 6.172 -4.714 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.645 7.656 -6.441 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.126 6.082 -7.118 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.153 7.513 -7.374 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -1.874 8.613 -4.531 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.418 8.485 -5.408 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.239 7.731 -3.806 1.00 0.53 H new ATOM 460 N TYR A 32 -3.037 2.713 -5.073 1.00 0.09 N ATOM 461 CA TYR A 32 -2.506 1.577 -4.352 1.00 0.07 C ATOM 462 C TYR A 32 -1.872 0.595 -5.317 1.00 0.08 C ATOM 463 O TYR A 32 -0.763 0.118 -5.102 1.00 0.08 O ATOM 464 CB TYR A 32 -3.687 0.964 -3.649 1.00 0.07 C ATOM 465 CG TYR A 32 -3.491 -0.399 -3.066 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.978 -0.542 -1.793 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.777 -1.531 -3.794 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.751 -1.787 -1.255 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.562 -2.782 -3.269 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.215 -2.928 -1.982 1.00 0.08 C ATOM 471 OH TYR A 32 -2.813 -4.159 -1.472 1.00 0.15 O ATOM 0 H TYR A 32 -4.050 2.802 -4.990 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.728 1.863 -3.644 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -3.991 1.636 -2.847 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.515 0.915 -4.356 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.751 0.338 -1.210 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.176 -1.435 -4.793 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.238 -1.900 -0.312 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.673 -3.654 -3.897 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.176 -4.878 -2.030 1.00 0.15 H new ATOM 481 N ASP A 33 -2.593 0.337 -6.398 1.00 0.10 N ATOM 482 CA ASP A 33 -2.126 -0.529 -7.477 1.00 0.11 C ATOM 483 C ASP A 33 -0.882 0.081 -8.072 1.00 0.09 C ATOM 484 O ASP A 33 0.010 -0.590 -8.585 1.00 0.11 O ATOM 485 CB ASP A 33 -3.180 -0.599 -8.582 1.00 0.16 C ATOM 486 CG ASP A 33 -3.427 -2.004 -9.088 1.00 0.31 C ATOM 487 OD1 ASP A 33 -3.978 -2.825 -8.322 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.059 -2.303 -10.243 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.524 0.723 -6.555 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.933 -1.526 -7.081 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -4.116 -0.186 -8.208 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.865 0.029 -9.415 1.00 0.16 H new ATOM 493 N ALA A 34 -0.880 1.385 -7.964 1.00 0.08 N ATOM 494 CA ALA A 34 0.098 2.250 -8.580 1.00 0.09 C ATOM 495 C ALA A 34 1.410 2.274 -7.819 1.00 0.08 C ATOM 496 O ALA A 34 2.469 2.460 -8.411 1.00 0.09 O ATOM 497 CB ALA A 34 -0.479 3.629 -8.638 1.00 0.10 C ATOM 0 H ALA A 34 -1.583 1.893 -7.427 1.00 0.08 H new ATOM 0 HA ALA A 34 0.320 1.871 -9.577 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.240 4.305 -9.100 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.395 3.615 -9.228 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.703 3.972 -7.628 1.00 0.10 H new ATOM 503 N PHE A 35 1.342 2.107 -6.499 1.00 0.06 N ATOM 504 CA PHE A 35 2.545 2.029 -5.682 1.00 0.06 C ATOM 505 C PHE A 35 3.326 0.823 -6.074 1.00 0.06 C ATOM 506 O PHE A 35 4.477 0.678 -5.730 1.00 0.08 O ATOM 507 CB PHE A 35 2.216 1.856 -4.226 1.00 0.05 C ATOM 508 CG PHE A 35 1.774 3.084 -3.546 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.617 3.751 -2.688 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.513 3.561 -3.760 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.198 4.893 -2.058 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.081 4.702 -3.141 1.00 0.06 C ATOM 513 CZ PHE A 35 0.927 5.373 -2.286 1.00 0.06 C ATOM 0 H PHE A 35 0.469 2.024 -5.977 1.00 0.06 H new ATOM 0 HA PHE A 35 3.098 2.955 -5.836 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.434 1.103 -4.131 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.096 1.469 -3.712 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.613 3.373 -2.510 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.152 3.031 -4.426 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.862 5.415 -1.385 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.917 5.074 -3.322 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.594 6.275 -1.794 1.00 0.06 H new ATOM 523 N TYR A 36 2.655 -0.077 -6.727 1.00 0.06 N ATOM 524 CA TYR A 36 3.281 -1.262 -7.204 1.00 0.06 C ATOM 525 C TYR A 36 3.676 -1.079 -8.639 1.00 0.08 C ATOM 526 O TYR A 36 2.892 -0.645 -9.482 1.00 0.11 O ATOM 527 CB TYR A 36 2.367 -2.461 -7.063 1.00 0.07 C ATOM 528 CG TYR A 36 1.913 -2.732 -5.658 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.778 -3.274 -4.721 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.625 -2.422 -5.263 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.373 -3.498 -3.426 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.208 -2.645 -3.968 1.00 0.08 C ATOM 533 CZ TYR A 36 1.064 -3.281 -3.079 1.00 0.07 C ATOM 534 OH TYR A 36 0.688 -3.391 -1.752 1.00 0.11 O ATOM 0 H TYR A 36 1.660 -0.006 -6.941 1.00 0.06 H new ATOM 0 HA TYR A 36 4.170 -1.448 -6.602 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.490 -2.310 -7.693 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.884 -3.343 -7.442 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.787 -3.525 -5.013 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.064 -1.999 -5.979 1.00 0.07 H new ATOM 0 HE1 TYR A 36 3.081 -3.843 -2.687 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.774 -2.328 -3.649 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.271 -3.207 -1.667 1.00 0.11 H new ATOM 544 N THR A 37 4.917 -1.392 -8.881 1.00 0.08 N ATOM 545 CA THR A 37 5.499 -1.297 -10.216 1.00 0.11 C ATOM 546 C THR A 37 4.786 -2.248 -11.171 1.00 0.14 C ATOM 547 O THR A 37 4.786 -2.061 -12.387 1.00 0.17 O ATOM 548 CB THR A 37 7.000 -1.640 -10.202 1.00 0.12 C ATOM 549 OG1 THR A 37 7.190 -3.061 -10.191 1.00 0.14 O ATOM 550 CG2 THR A 37 7.643 -1.063 -8.971 1.00 0.11 C ATOM 0 H THR A 37 5.566 -1.722 -8.166 1.00 0.08 H new ATOM 0 HA THR A 37 5.377 -0.267 -10.552 1.00 0.11 H new ATOM 0 HB THR A 37 7.455 -1.218 -11.098 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.149 -3.263 -10.184 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.705 -1.309 -8.966 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.521 0.020 -8.971 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.170 -1.482 -8.083 1.00 0.11 H new ATOM 558 N ASN A 38 4.183 -3.273 -10.589 1.00 0.15 N ATOM 559 CA ASN A 38 3.455 -4.278 -11.329 1.00 0.26 C ATOM 560 C ASN A 38 2.145 -4.556 -10.615 1.00 0.29 C ATOM 561 O ASN A 38 2.020 -4.298 -9.419 1.00 0.71 O ATOM 562 CB ASN A 38 4.287 -5.570 -11.446 1.00 0.38 C ATOM 563 CG ASN A 38 4.802 -6.099 -10.109 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.206 -5.890 -9.056 1.00 1.52 O ATOM 565 ND2 ASN A 38 5.922 -6.800 -10.145 1.00 0.99 N ATOM 0 H ASN A 38 4.188 -3.427 -9.581 1.00 0.15 H new ATOM 0 HA ASN A 38 3.254 -3.916 -12.337 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.679 -6.340 -11.920 1.00 0.38 H new ATOM 0 HB3 ASN A 38 5.136 -5.385 -12.104 1.00 0.38 H new ATOM 0 HD21 ASN A 38 6.312 -7.183 -9.284 1.00 0.99 H new ATOM 0 HD22 ASN A 38 6.396 -6.958 -11.034 1.00 0.99 H new ATOM 572 N SER A 39 1.167 -5.075 -11.331 1.00 0.33 N ATOM 573 CA SER A 39 -0.102 -5.413 -10.714 1.00 0.28 C ATOM 574 C SER A 39 0.013 -6.718 -9.944 1.00 0.22 C ATOM 575 O SER A 39 -0.947 -7.177 -9.325 1.00 0.24 O ATOM 576 CB SER A 39 -1.205 -5.499 -11.755 1.00 0.35 C ATOM 577 OG SER A 39 -0.757 -6.165 -12.925 1.00 0.36 O ATOM 0 H SER A 39 1.224 -5.271 -12.330 1.00 0.33 H new ATOM 0 HA SER A 39 -0.362 -4.620 -10.013 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.062 -6.028 -11.338 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.545 -4.496 -12.012 1.00 0.35 H new ATOM 0 HG SER A 39 -1.487 -6.208 -13.577 1.00 0.36 H new ATOM 583 N ASN A 40 1.198 -7.314 -9.993 1.00 0.20 N ATOM 584 CA ASN A 40 1.509 -8.458 -9.155 1.00 0.20 C ATOM 585 C ASN A 40 1.699 -7.987 -7.726 1.00 0.16 C ATOM 586 O ASN A 40 1.591 -8.759 -6.772 1.00 0.18 O ATOM 587 CB ASN A 40 2.778 -9.169 -9.622 1.00 0.26 C ATOM 588 CG ASN A 40 2.684 -9.727 -11.032 1.00 0.43 C ATOM 589 OD1 ASN A 40 2.027 -9.159 -11.905 1.00 1.09 O ATOM 590 ND2 ASN A 40 3.353 -10.842 -11.266 1.00 1.15 N ATOM 0 H ASN A 40 1.958 -7.021 -10.606 1.00 0.20 H new ATOM 0 HA ASN A 40 0.682 -9.164 -9.221 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.614 -8.471 -9.572 1.00 0.26 H new ATOM 0 HB3 ASN A 40 3.002 -9.983 -8.933 1.00 0.26 H new ATOM 0 HD21 ASN A 40 3.336 -11.261 -12.196 1.00 1.15 H new ATOM 0 HD22 ASN A 40 3.886 -11.284 -10.517 1.00 1.15 H new ATOM 597 N LYS A 41 1.953 -6.674 -7.612 1.00 0.13 N ATOM 598 CA LYS A 41 2.113 -5.995 -6.345 1.00 0.11 C ATOM 599 C LYS A 41 3.164 -6.676 -5.506 1.00 0.11 C ATOM 600 O LYS A 41 3.034 -6.843 -4.295 1.00 0.12 O ATOM 601 CB LYS A 41 0.762 -5.901 -5.692 1.00 0.11 C ATOM 602 CG LYS A 41 -0.253 -5.368 -6.678 1.00 0.13 C ATOM 603 CD LYS A 41 -1.649 -5.569 -6.192 1.00 0.17 C ATOM 604 CE LYS A 41 -2.296 -4.252 -5.908 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.779 -4.354 -5.910 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.052 -6.057 -8.418 1.00 0.13 H new ATOM 0 HA LYS A 41 2.482 -4.979 -6.481 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.453 -6.883 -5.334 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.814 -5.247 -4.822 1.00 0.11 H new ATOM 0 HG2 LYS A 41 -0.075 -4.306 -6.846 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.126 -5.868 -7.638 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.227 -6.112 -6.940 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.642 -6.180 -5.290 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.958 -3.882 -4.940 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.981 -3.523 -6.655 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.178 -3.627 -5.282 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.136 -4.211 -6.876 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -4.063 -5.296 -5.573 1.00 0.66 H new ATOM 619 N THR A 42 4.222 -7.031 -6.208 1.00 0.11 N ATOM 620 CA THR A 42 5.373 -7.690 -5.640 1.00 0.12 C ATOM 621 C THR A 42 6.553 -6.736 -5.624 1.00 0.10 C ATOM 622 O THR A 42 7.634 -7.052 -5.133 1.00 0.13 O ATOM 623 CB THR A 42 5.707 -8.926 -6.474 1.00 0.16 C ATOM 624 OG1 THR A 42 5.883 -8.560 -7.850 1.00 0.18 O ATOM 625 CG2 THR A 42 4.576 -9.922 -6.349 1.00 0.21 C ATOM 0 H THR A 42 4.303 -6.864 -7.211 1.00 0.11 H new ATOM 0 HA THR A 42 5.154 -7.995 -4.617 1.00 0.12 H new ATOM 0 HB THR A 42 6.633 -9.371 -6.111 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.833 -8.614 -8.084 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.805 -10.808 -6.941 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.455 -10.205 -5.303 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.652 -9.471 -6.712 1.00 0.21 H new ATOM 633 N ALA A 43 6.300 -5.542 -6.135 1.00 0.09 N ATOM 634 CA ALA A 43 7.328 -4.539 -6.323 1.00 0.09 C ATOM 635 C ALA A 43 6.700 -3.164 -6.267 1.00 0.07 C ATOM 636 O ALA A 43 5.557 -2.991 -6.675 1.00 0.09 O ATOM 637 CB ALA A 43 8.023 -4.750 -7.647 1.00 0.10 C ATOM 0 H ALA A 43 5.371 -5.243 -6.431 1.00 0.09 H new ATOM 0 HA ALA A 43 8.071 -4.625 -5.530 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.794 -3.991 -7.778 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.481 -5.739 -7.664 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.296 -4.673 -8.456 1.00 0.10 H new ATOM 643 N LEU A 44 7.436 -2.195 -5.755 1.00 0.06 N ATOM 644 CA LEU A 44 6.878 -0.893 -5.481 1.00 0.06 C ATOM 645 C LEU A 44 7.595 0.271 -6.146 1.00 0.08 C ATOM 646 O LEU A 44 8.821 0.316 -6.251 1.00 0.09 O ATOM 647 CB LEU A 44 6.852 -0.701 -3.995 1.00 0.06 C ATOM 648 CG LEU A 44 5.826 -1.559 -3.305 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.472 -2.465 -2.301 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.859 -0.675 -2.621 1.00 0.05 C ATOM 0 H LEU A 44 8.424 -2.290 -5.521 1.00 0.06 H new ATOM 0 HA LEU A 44 5.878 -0.883 -5.914 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.838 -0.927 -3.589 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.648 0.347 -3.774 1.00 0.06 H new ATOM 0 HG LEU A 44 5.322 -2.179 -4.046 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.709 -3.074 -1.817 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.189 -3.114 -2.804 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.989 -1.867 -1.551 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.107 -1.281 -2.115 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.383 -0.060 -1.889 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.373 -0.031 -3.354 1.00 0.05 H new ATOM 662 N LYS A 45 6.768 1.208 -6.572 1.00 0.10 N ATOM 663 CA LYS A 45 7.165 2.432 -7.201 1.00 0.12 C ATOM 664 C LYS A 45 7.390 3.485 -6.155 1.00 0.12 C ATOM 665 O LYS A 45 6.523 3.762 -5.330 1.00 0.14 O ATOM 666 CB LYS A 45 6.060 2.900 -8.131 1.00 0.15 C ATOM 667 CG LYS A 45 6.203 2.432 -9.550 1.00 0.26 C ATOM 668 CD LYS A 45 4.960 2.716 -10.372 1.00 1.23 C ATOM 669 CE LYS A 45 5.164 2.346 -11.831 1.00 1.55 C ATOM 670 NZ LYS A 45 6.329 3.052 -12.430 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.756 1.122 -6.479 1.00 0.10 H new ATOM 0 HA LYS A 45 8.084 2.265 -7.763 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.103 2.553 -7.742 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.031 3.990 -8.122 1.00 0.15 H new ATOM 0 HG2 LYS A 45 7.061 2.924 -10.009 1.00 0.26 H new ATOM 0 HG3 LYS A 45 6.407 1.361 -9.559 1.00 0.26 H new ATOM 0 HD2 LYS A 45 4.118 2.155 -9.967 1.00 1.23 H new ATOM 0 HD3 LYS A 45 4.705 3.773 -10.295 1.00 1.23 H new ATOM 0 HE2 LYS A 45 5.311 1.269 -11.914 1.00 1.55 H new ATOM 0 HE3 LYS A 45 4.264 2.589 -12.396 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 6.267 3.006 -13.467 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 6.325 4.047 -12.127 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 7.210 2.598 -12.115 1.00 1.95 H new ATOM 684 N ASN A 46 8.528 4.097 -6.234 1.00 0.15 N ATOM 685 CA ASN A 46 8.999 4.967 -5.173 1.00 0.15 C ATOM 686 C ASN A 46 8.422 6.373 -5.257 1.00 0.14 C ATOM 687 O ASN A 46 8.329 7.072 -4.248 1.00 0.17 O ATOM 688 CB ASN A 46 10.507 4.995 -5.172 1.00 0.22 C ATOM 689 CG ASN A 46 11.025 3.633 -4.887 1.00 0.62 C ATOM 690 OD1 ASN A 46 10.999 2.759 -5.744 1.00 1.78 O ATOM 691 ND2 ASN A 46 11.481 3.434 -3.679 1.00 0.54 N ATOM 0 H ASN A 46 9.164 4.017 -7.027 1.00 0.15 H new ATOM 0 HA ASN A 46 8.643 4.555 -4.229 1.00 0.15 H new ATOM 0 HB2 ASN A 46 10.876 5.342 -6.137 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.868 5.698 -4.421 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.838 2.516 -3.413 1.00 0.54 H new ATOM 0 HD22 ASN A 46 11.481 4.197 -3.002 1.00 0.54 H new ATOM 698 N SER A 47 8.020 6.792 -6.446 1.00 0.14 N ATOM 699 CA SER A 47 7.406 8.100 -6.609 1.00 0.16 C ATOM 700 C SER A 47 5.980 8.083 -6.059 1.00 0.13 C ATOM 701 O SER A 47 5.381 9.128 -5.800 1.00 0.17 O ATOM 702 CB SER A 47 7.415 8.510 -8.082 1.00 0.21 C ATOM 703 OG SER A 47 8.730 8.449 -8.614 1.00 1.32 O ATOM 0 H SER A 47 8.107 6.251 -7.306 1.00 0.14 H new ATOM 0 HA SER A 47 7.983 8.834 -6.047 1.00 0.16 H new ATOM 0 HB2 SER A 47 6.757 7.853 -8.651 1.00 0.21 H new ATOM 0 HB3 SER A 47 7.023 9.522 -8.185 1.00 0.21 H new ATOM 0 HG SER A 47 8.714 8.713 -9.558 1.00 1.32 H new ATOM 709 N GLN A 48 5.448 6.883 -5.861 1.00 0.10 N ATOM 710 CA GLN A 48 4.128 6.711 -5.310 1.00 0.10 C ATOM 711 C GLN A 48 4.139 6.915 -3.812 1.00 0.09 C ATOM 712 O GLN A 48 3.123 7.250 -3.225 1.00 0.10 O ATOM 713 CB GLN A 48 3.648 5.323 -5.662 1.00 0.13 C ATOM 714 CG GLN A 48 3.864 5.004 -7.128 1.00 0.15 C ATOM 715 CD GLN A 48 3.096 5.937 -8.044 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.857 5.603 -8.335 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 3.613 6.968 -8.469 1.00 0.49 N flip ATOM 0 H GLN A 48 5.926 6.009 -6.080 1.00 0.10 H new ATOM 0 HA GLN A 48 3.451 7.455 -5.730 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.175 4.591 -5.050 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.588 5.234 -5.424 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.928 5.068 -7.358 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.558 3.976 -7.322 1.00 0.15 H new ATOM 0 HE21 GLN A 48 4.576 7.195 -8.222 1.00 0.49 H new ATOM 0 HE22 GLN A 48 3.079 7.597 -9.068 1.00 0.49 H new ATOM 726 N PHE A 49 5.305 6.753 -3.210 1.00 0.09 N ATOM 727 CA PHE A 49 5.460 6.881 -1.764 1.00 0.09 C ATOM 728 C PHE A 49 4.995 8.250 -1.270 1.00 0.11 C ATOM 729 O PHE A 49 4.692 8.428 -0.092 1.00 0.13 O ATOM 730 CB PHE A 49 6.912 6.683 -1.344 1.00 0.09 C ATOM 731 CG PHE A 49 7.485 5.320 -1.601 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.698 4.987 -1.044 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.826 4.379 -2.368 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.248 3.748 -1.229 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.380 3.124 -2.569 1.00 0.11 C ATOM 736 CZ PHE A 49 8.593 2.809 -1.993 1.00 0.07 C ATOM 0 H PHE A 49 6.169 6.530 -3.704 1.00 0.09 H new ATOM 0 HA PHE A 49 4.840 6.105 -1.316 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.525 7.418 -1.865 1.00 0.09 H new ATOM 0 HB3 PHE A 49 6.995 6.896 -0.278 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.226 5.718 -0.449 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.873 4.622 -2.814 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.198 3.506 -0.775 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.863 2.395 -3.175 1.00 0.11 H new ATOM 0 HZ PHE A 49 9.026 1.831 -2.141 1.00 0.07 H new ATOM 746 N ASP A 50 4.932 9.209 -2.183 1.00 0.11 N ATOM 747 CA ASP A 50 4.514 10.564 -1.852 1.00 0.15 C ATOM 748 C ASP A 50 3.009 10.592 -1.699 1.00 0.15 C ATOM 749 O ASP A 50 2.439 11.411 -0.982 1.00 0.20 O ATOM 750 CB ASP A 50 4.945 11.526 -2.954 1.00 0.19 C ATOM 751 CG ASP A 50 4.569 12.966 -2.656 1.00 0.29 C ATOM 752 OD1 ASP A 50 3.606 13.476 -3.263 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.235 13.595 -1.805 1.00 0.36 O1- ATOM 0 H ASP A 50 5.167 9.072 -3.166 1.00 0.11 H new ATOM 0 HA ASP A 50 4.982 10.874 -0.917 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.024 11.457 -3.089 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.486 11.223 -3.895 1.00 0.19 H new ATOM 758 N LYS A 51 2.380 9.652 -2.375 1.00 0.11 N ATOM 759 CA LYS A 51 0.945 9.499 -2.356 1.00 0.11 C ATOM 760 C LYS A 51 0.547 8.465 -1.327 1.00 0.10 C ATOM 761 O LYS A 51 -0.574 8.003 -1.332 1.00 0.11 O ATOM 762 CB LYS A 51 0.446 9.059 -3.715 1.00 0.13 C ATOM 763 CG LYS A 51 1.460 9.188 -4.811 1.00 0.14 C ATOM 764 CD LYS A 51 0.869 9.858 -6.007 1.00 0.49 C ATOM 765 CE LYS A 51 1.826 9.829 -7.180 1.00 0.45 C ATOM 766 NZ LYS A 51 2.977 10.758 -7.006 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.859 8.967 -2.959 1.00 0.11 H new ATOM 0 HA LYS A 51 0.501 10.461 -2.100 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.124 8.019 -3.653 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.432 9.649 -3.976 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.316 9.761 -4.454 1.00 0.14 H new ATOM 0 HG3 LYS A 51 1.830 8.201 -5.088 1.00 0.14 H new ATOM 0 HD2 LYS A 51 -0.062 9.362 -6.282 1.00 0.49 H new ATOM 0 HD3 LYS A 51 0.620 10.891 -5.763 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.201 8.814 -7.313 1.00 0.45 H new ATOM 0 HE3 LYS A 51 1.287 10.092 -8.090 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 3.253 11.145 -7.931 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 2.703 11.536 -6.373 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 3.780 10.242 -6.593 1.00 1.47 H new ATOM 780 N LEU A 52 1.479 8.035 -0.495 1.00 0.09 N ATOM 781 CA LEU A 52 1.150 7.087 0.548 1.00 0.08 C ATOM 782 C LEU A 52 0.238 7.734 1.582 1.00 0.09 C ATOM 783 O LEU A 52 -0.696 7.109 2.074 1.00 0.09 O ATOM 784 CB LEU A 52 2.413 6.552 1.202 1.00 0.08 C ATOM 785 CG LEU A 52 2.306 5.154 1.780 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.458 5.213 3.272 1.00 0.07 C ATOM 787 CD2 LEU A 52 1.002 4.471 1.388 1.00 0.08 C ATOM 0 H LEU A 52 2.457 8.324 -0.522 1.00 0.09 H new ATOM 0 HA LEU A 52 0.620 6.247 0.099 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.215 6.561 0.464 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.706 7.235 2.000 1.00 0.08 H new ATOM 0 HG LEU A 52 3.111 4.550 1.361 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.381 4.207 3.686 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.432 5.635 3.522 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.672 5.840 3.693 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.969 3.473 1.824 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.160 5.056 1.757 1.00 0.08 H new ATOM 0 HD23 LEU A 52 0.943 4.395 0.302 1.00 0.08 H new ATOM 799 N SER A 53 0.494 8.996 1.894 1.00 0.10 N ATOM 800 CA SER A 53 -0.417 9.754 2.732 1.00 0.11 C ATOM 801 C SER A 53 -1.712 9.996 1.962 1.00 0.11 C ATOM 802 O SER A 53 -2.765 10.246 2.540 1.00 0.13 O ATOM 803 CB SER A 53 0.219 11.080 3.161 1.00 0.14 C ATOM 804 OG SER A 53 -0.551 11.719 4.169 1.00 1.25 O ATOM 0 H SER A 53 1.317 9.511 1.582 1.00 0.10 H new ATOM 0 HA SER A 53 -0.636 9.188 3.637 1.00 0.11 H new ATOM 0 HB2 SER A 53 1.228 10.899 3.531 1.00 0.14 H new ATOM 0 HB3 SER A 53 0.310 11.739 2.297 1.00 0.14 H new ATOM 0 HG SER A 53 -0.121 12.562 4.424 1.00 1.25 H new ATOM 810 N GLN A 54 -1.612 9.894 0.642 1.00 0.10 N ATOM 811 CA GLN A 54 -2.752 9.993 -0.235 1.00 0.11 C ATOM 812 C GLN A 54 -3.516 8.675 -0.258 1.00 0.09 C ATOM 813 O GLN A 54 -4.728 8.648 -0.311 1.00 0.10 O ATOM 814 CB GLN A 54 -2.293 10.347 -1.627 1.00 0.12 C ATOM 815 CG GLN A 54 -3.423 10.489 -2.612 1.00 0.17 C ATOM 816 CD GLN A 54 -3.439 11.824 -3.313 1.00 0.69 C ATOM 817 OE1 GLN A 54 -4.004 12.796 -2.818 1.00 1.24 O ATOM 818 NE2 GLN A 54 -2.846 11.865 -4.487 1.00 0.70 N ATOM 0 H GLN A 54 -0.729 9.739 0.156 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.416 10.775 0.134 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.733 11.282 -1.590 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.606 9.578 -1.982 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.349 9.696 -3.357 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.370 10.349 -2.091 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.389 11.031 -4.857 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -2.843 12.730 -5.027 1.00 0.70 H new ATOM 827 N LEU A 55 -2.779 7.582 -0.218 1.00 0.08 N ATOM 828 CA LEU A 55 -3.331 6.253 -0.124 1.00 0.07 C ATOM 829 C LEU A 55 -3.979 6.105 1.233 1.00 0.07 C ATOM 830 O LEU A 55 -4.938 5.364 1.414 1.00 0.08 O ATOM 831 CB LEU A 55 -2.196 5.254 -0.311 1.00 0.06 C ATOM 832 CG LEU A 55 -2.508 4.042 -1.178 1.00 0.06 C ATOM 833 CD1 LEU A 55 -2.988 2.887 -0.323 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.544 4.388 -2.238 1.00 0.10 C ATOM 0 H LEU A 55 -1.760 7.598 -0.251 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.085 6.072 -0.890 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.346 5.778 -0.747 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.883 4.902 0.672 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.591 3.740 -1.684 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.206 2.029 -0.959 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.213 2.619 0.394 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.891 3.181 0.212 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.751 3.507 -2.845 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.463 4.719 -1.754 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -3.161 5.186 -2.874 1.00 0.10 H new ATOM 846 N LYS A 56 -3.452 6.869 2.173 1.00 0.07 N ATOM 847 CA LYS A 56 -4.014 6.955 3.503 1.00 0.08 C ATOM 848 C LYS A 56 -5.217 7.862 3.459 1.00 0.09 C ATOM 849 O LYS A 56 -6.141 7.750 4.249 1.00 0.12 O ATOM 850 CB LYS A 56 -2.975 7.518 4.467 1.00 0.10 C ATOM 851 CG LYS A 56 -3.350 7.406 5.934 1.00 0.11 C ATOM 852 CD LYS A 56 -4.396 6.334 6.174 1.00 0.11 C ATOM 853 CE LYS A 56 -4.540 6.013 7.654 1.00 0.20 C ATOM 854 NZ LYS A 56 -4.867 7.221 8.462 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.623 7.446 2.033 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.309 5.964 3.847 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -2.030 6.999 4.306 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.807 8.568 4.227 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.459 7.180 6.520 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.728 8.366 6.286 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.356 6.666 5.778 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.123 5.430 5.630 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.322 5.266 7.788 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.613 5.573 8.021 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -5.105 6.935 9.433 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -4.046 7.859 8.480 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -5.679 7.713 8.037 1.00 0.82 H new ATOM 868 N THR A 57 -5.178 8.753 2.506 1.00 0.09 N ATOM 869 CA THR A 57 -6.235 9.690 2.273 1.00 0.10 C ATOM 870 C THR A 57 -7.401 8.991 1.601 1.00 0.09 C ATOM 871 O THR A 57 -8.555 9.251 1.899 1.00 0.11 O ATOM 872 CB THR A 57 -5.717 10.846 1.408 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.654 12.058 2.166 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.543 11.043 0.159 1.00 0.12 C ATOM 0 H THR A 57 -4.395 8.847 1.859 1.00 0.09 H new ATOM 0 HA THR A 57 -6.581 10.097 3.223 1.00 0.10 H new ATOM 0 HB THR A 57 -4.710 10.578 1.089 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.320 12.783 1.597 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.136 11.873 -0.419 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.516 10.134 -0.442 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.574 11.265 0.436 1.00 0.12 H new ATOM 882 N LEU A 58 -7.072 8.111 0.678 1.00 0.09 N ATOM 883 CA LEU A 58 -8.039 7.307 -0.005 1.00 0.09 C ATOM 884 C LEU A 58 -8.589 6.256 0.920 1.00 0.09 C ATOM 885 O LEU A 58 -9.772 5.982 0.919 1.00 0.12 O ATOM 886 CB LEU A 58 -7.349 6.708 -1.197 1.00 0.11 C ATOM 887 CG LEU A 58 -6.852 7.757 -2.167 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.664 7.231 -2.941 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.983 8.190 -3.082 1.00 0.16 C ATOM 0 H LEU A 58 -6.110 7.939 0.384 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.891 7.900 -0.336 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.508 6.102 -0.859 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -8.037 6.038 -1.713 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.517 8.636 -1.617 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.315 7.995 -3.636 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.862 6.977 -2.248 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.958 6.341 -3.498 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.619 8.946 -3.778 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.349 7.329 -3.640 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.794 8.607 -2.485 1.00 0.16 H new ATOM 901 N LEU A 59 -7.720 5.684 1.722 1.00 0.07 N ATOM 902 CA LEU A 59 -8.144 4.834 2.815 1.00 0.07 C ATOM 903 C LEU A 59 -8.991 5.653 3.778 1.00 0.09 C ATOM 904 O LEU A 59 -9.964 5.175 4.321 1.00 0.11 O ATOM 905 CB LEU A 59 -6.915 4.286 3.528 1.00 0.07 C ATOM 906 CG LEU A 59 -7.114 2.979 4.283 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.096 3.222 5.753 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.421 2.338 3.925 1.00 0.08 C ATOM 0 H LEU A 59 -6.709 5.792 1.638 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.736 4.000 2.438 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.125 4.141 2.791 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.560 5.039 4.231 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.298 2.314 4.001 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.239 2.278 6.280 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.137 3.655 6.039 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.898 3.911 6.018 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.534 1.407 4.480 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.239 3.013 4.178 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.442 2.128 2.856 1.00 0.08 H new ATOM 920 N ASP A 60 -8.607 6.897 3.970 1.00 0.09 N ATOM 921 CA ASP A 60 -9.405 7.849 4.736 1.00 0.11 C ATOM 922 C ASP A 60 -10.738 8.080 4.054 1.00 0.12 C ATOM 923 O ASP A 60 -11.706 8.532 4.660 1.00 0.16 O ATOM 924 CB ASP A 60 -8.678 9.183 4.859 1.00 0.17 C ATOM 925 CG ASP A 60 -8.455 9.600 6.295 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.734 8.885 7.020 1.00 0.66 O ATOM 927 OD2 ASP A 60 -8.976 10.659 6.702 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.737 7.283 3.604 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.565 7.432 5.730 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.716 9.115 4.352 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.254 9.954 4.347 1.00 0.17 H new ATOM 932 N LYS A 61 -10.764 7.795 2.773 1.00 0.12 N ATOM 933 CA LYS A 61 -11.984 7.845 2.011 1.00 0.14 C ATOM 934 C LYS A 61 -12.769 6.571 2.200 1.00 0.12 C ATOM 935 O LYS A 61 -13.973 6.516 1.988 1.00 0.17 O ATOM 936 CB LYS A 61 -11.662 8.099 0.551 1.00 0.19 C ATOM 937 CG LYS A 61 -11.026 9.444 0.376 1.00 0.25 C ATOM 938 CD LYS A 61 -11.139 9.960 -1.048 1.00 0.39 C ATOM 939 CE LYS A 61 -11.012 11.476 -1.104 1.00 1.20 C ATOM 940 NZ LYS A 61 -9.732 11.960 -0.520 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.942 7.523 2.234 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.606 8.666 2.366 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -10.992 7.323 0.181 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.574 8.042 -0.043 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.496 10.156 1.055 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.974 9.384 0.655 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.362 9.506 -1.663 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -12.097 9.658 -1.470 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -11.083 11.806 -2.141 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -11.847 11.928 -0.568 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -9.693 12.997 -0.581 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -9.674 11.670 0.477 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -8.934 11.552 -1.047 1.00 1.92 H new ATOM 954 N LEU A 62 -12.072 5.575 2.678 1.00 0.10 N ATOM 955 CA LEU A 62 -12.676 4.296 2.995 1.00 0.11 C ATOM 956 C LEU A 62 -13.136 4.346 4.416 1.00 0.12 C ATOM 957 O LEU A 62 -13.980 3.572 4.850 1.00 0.14 O ATOM 958 CB LEU A 62 -11.697 3.132 2.817 1.00 0.11 C ATOM 959 CG LEU A 62 -11.520 2.641 1.388 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.725 3.017 0.586 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.279 3.195 0.745 1.00 0.11 C ATOM 0 H LEU A 62 -11.070 5.621 2.861 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.507 4.123 2.311 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.724 3.436 3.202 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.036 2.297 3.431 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.409 1.557 1.416 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.603 2.667 -0.439 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.611 2.557 1.023 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.840 4.101 0.588 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.197 2.816 -0.274 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.335 4.283 0.724 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.404 2.888 1.318 1.00 0.11 H new ATOM 973 N GLU A 63 -12.502 5.243 5.138 1.00 0.11 N ATOM 974 CA GLU A 63 -12.832 5.528 6.509 1.00 0.14 C ATOM 975 C GLU A 63 -14.320 5.642 6.745 1.00 0.16 C ATOM 976 O GLU A 63 -15.041 6.277 5.977 1.00 0.20 O ATOM 977 CB GLU A 63 -12.138 6.781 6.939 1.00 0.16 C ATOM 978 CG GLU A 63 -10.881 6.461 7.685 1.00 0.17 C ATOM 979 CD GLU A 63 -11.152 6.022 9.112 1.00 0.85 C ATOM 980 OE1 GLU A 63 -10.744 6.741 10.049 1.00 1.29 O ATOM 981 OE2 GLU A 63 -11.786 4.965 9.302 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.729 5.803 4.778 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.489 4.685 7.109 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.903 7.390 6.066 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.801 7.371 7.571 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -10.342 5.672 7.161 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -10.234 7.338 7.694 1.00 0.17 H new ATOM 988 N GLY A 64 -14.770 5.007 7.808 1.00 0.18 N ATOM 989 CA GLY A 64 -16.175 4.995 8.110 1.00 0.20 C ATOM 990 C GLY A 64 -16.902 3.897 7.370 1.00 0.20 C ATOM 991 O GLY A 64 -18.011 3.528 7.737 1.00 0.26 O ATOM 0 H GLY A 64 -14.183 4.498 8.469 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.314 4.863 9.183 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.611 5.959 7.848 1.00 0.20 H new ATOM 995 N SER A 65 -16.264 3.363 6.337 1.00 0.16 N ATOM 996 CA SER A 65 -16.859 2.329 5.502 1.00 0.16 C ATOM 997 C SER A 65 -16.159 0.995 5.767 1.00 0.18 C ATOM 998 O SER A 65 -15.042 0.971 6.273 1.00 0.25 O ATOM 999 CB SER A 65 -16.706 2.739 4.034 1.00 0.19 C ATOM 1000 OG SER A 65 -16.941 4.127 3.876 1.00 0.27 O ATOM 0 H SER A 65 -15.322 3.634 6.055 1.00 0.16 H new ATOM 0 HA SER A 65 -17.918 2.213 5.734 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.703 2.493 3.685 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.406 2.174 3.418 1.00 0.19 H new ATOM 0 HG SER A 65 -16.410 4.465 3.125 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.815 -0.108 5.425 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.261 -1.446 5.651 1.00 0.22 C ATOM 1008 C ARG A 66 -15.031 -1.702 4.804 1.00 0.21 C ATOM 1009 O ARG A 66 -14.175 -2.517 5.153 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.300 -2.509 5.344 1.00 0.26 C ATOM 1011 CG ARG A 66 -17.740 -2.507 3.899 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.477 -3.777 3.545 1.00 0.47 C ATOM 1013 NE ARG A 66 -19.500 -3.571 2.519 1.00 1.46 N ATOM 1014 CZ ARG A 66 -19.812 -4.471 1.584 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -19.175 -5.634 1.534 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -20.772 -4.209 0.704 1.00 3.05 N ATOM 0 H ARG A 66 -17.736 -0.106 4.988 1.00 0.21 H new ATOM 0 HA ARG A 66 -15.973 -1.496 6.701 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -16.893 -3.489 5.592 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.170 -2.354 5.983 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -18.384 -1.647 3.715 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -16.869 -2.398 3.252 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -17.762 -4.521 3.194 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -18.945 -4.182 4.442 1.00 0.47 H new ATOM 0 HE ARG A 66 -20.006 -2.685 2.518 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -18.443 -5.844 2.212 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -19.418 -6.318 0.817 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -21.271 -3.320 0.743 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -21.010 -4.897 -0.011 1.00 3.05 H new ATOM 1030 N GLU A 67 -14.957 -1.002 3.692 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.841 -1.118 2.777 1.00 0.18 C ATOM 1032 C GLU A 67 -12.580 -0.726 3.473 1.00 0.15 C ATOM 1033 O GLU A 67 -11.546 -1.334 3.295 1.00 0.14 O ATOM 1034 CB GLU A 67 -14.084 -0.213 1.605 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.410 -0.944 0.352 1.00 0.33 C ATOM 1036 CD GLU A 67 -13.280 -1.793 -0.171 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -13.432 -3.028 -0.222 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -12.218 -1.222 -0.506 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.670 -0.335 3.396 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.745 -2.147 2.432 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -14.902 0.467 1.844 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.198 0.400 1.439 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -15.277 -1.580 0.529 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.695 -0.223 -0.414 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.720 0.290 4.288 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.644 0.809 5.109 1.00 0.13 C ATOM 1047 C HIS A 68 -10.829 -0.275 5.732 1.00 0.14 C ATOM 1048 O HIS A 68 -9.646 -0.181 5.779 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.190 1.628 6.237 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.130 2.420 6.889 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.444 3.442 6.400 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.621 2.176 8.137 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.527 3.813 7.326 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.649 3.038 8.365 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.600 0.792 4.405 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.023 1.404 4.440 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -12.966 2.295 5.862 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.660 0.973 6.970 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.582 3.874 5.486 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -10.958 1.409 8.818 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.814 4.617 7.220 1.00 0.17 H new ATOM 1063 N THR A 69 -11.490 -1.259 6.249 1.00 0.15 N ATOM 1064 CA THR A 69 -10.829 -2.375 6.897 1.00 0.16 C ATOM 1065 C THR A 69 -9.871 -3.059 5.958 1.00 0.15 C ATOM 1066 O THR A 69 -8.683 -3.232 6.222 1.00 0.15 O ATOM 1067 CB THR A 69 -11.873 -3.396 7.265 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.740 -2.889 8.289 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.232 -4.697 7.682 1.00 0.21 C ATOM 0 H THR A 69 -12.508 -1.324 6.240 1.00 0.15 H new ATOM 0 HA THR A 69 -10.290 -1.994 7.765 1.00 0.16 H new ATOM 0 HB THR A 69 -12.481 -3.596 6.383 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.412 -3.566 8.513 1.00 0.22 H new ATOM 0 HG21 THR A 69 -12.007 -5.417 7.943 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.635 -5.089 6.859 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.590 -4.526 8.546 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.449 -3.400 4.849 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.841 -4.164 3.815 1.00 0.16 C ATOM 1079 C LEU A 70 -8.756 -3.342 3.244 1.00 0.13 C ATOM 1080 O LEU A 70 -7.625 -3.766 3.077 1.00 0.12 O ATOM 1081 CB LEU A 70 -10.956 -4.477 2.801 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.566 -4.806 1.359 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.380 -3.540 0.538 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.327 -5.678 1.330 1.00 0.21 C ATOM 0 H LEU A 70 -11.410 -3.136 4.633 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.401 -5.103 4.151 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.529 -5.319 3.189 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.629 -3.620 2.774 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.381 -5.368 0.903 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.103 -3.805 -0.482 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.312 -2.974 0.526 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.592 -2.932 0.981 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.064 -5.902 0.296 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.501 -5.152 1.809 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.524 -6.608 1.864 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.126 -2.135 3.056 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.331 -1.185 2.391 1.00 0.09 C ATOM 1098 C ALA A 71 -7.301 -0.598 3.323 1.00 0.07 C ATOM 1099 O ALA A 71 -6.314 -0.072 2.884 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.247 -0.142 1.836 1.00 0.10 C ATOM 0 H ALA A 71 -10.024 -1.770 3.373 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.772 -1.649 1.578 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.662 0.614 1.312 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.948 -0.605 1.141 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.800 0.327 2.650 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.539 -0.686 4.612 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.567 -0.331 5.593 1.00 0.09 C ATOM 1108 C LYS A 72 -5.595 -1.437 5.632 1.00 0.10 C ATOM 1109 O LYS A 72 -4.408 -1.250 5.812 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.214 -0.202 6.936 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.255 0.227 7.995 1.00 0.14 C ATOM 1112 CD LYS A 72 -6.937 1.149 8.963 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.288 1.122 10.337 1.00 0.22 C ATOM 1114 NZ LYS A 72 -6.321 -0.237 10.943 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.424 -1.010 5.002 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.094 0.620 5.347 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.029 0.519 6.875 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.655 -1.159 7.216 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -5.868 -0.645 8.522 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.401 0.730 7.541 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -6.913 2.166 8.572 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -7.986 0.867 9.053 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -5.254 1.458 10.256 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -6.801 1.824 10.994 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -6.311 -0.155 11.980 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -7.186 -0.730 10.643 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -5.489 -0.777 10.631 1.00 1.35 H new ATOM 1128 N SER A 73 -6.131 -2.610 5.432 1.00 0.10 N ATOM 1129 CA SER A 73 -5.306 -3.770 5.400 1.00 0.12 C ATOM 1130 C SER A 73 -4.528 -3.805 4.090 1.00 0.11 C ATOM 1131 O SER A 73 -3.504 -4.470 3.989 1.00 0.13 O ATOM 1132 CB SER A 73 -6.130 -5.046 5.600 1.00 0.16 C ATOM 1133 OG SER A 73 -5.297 -6.182 5.769 1.00 1.18 O ATOM 0 H SER A 73 -7.127 -2.780 5.291 1.00 0.10 H new ATOM 0 HA SER A 73 -4.597 -3.722 6.226 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.773 -4.932 6.473 1.00 0.16 H new ATOM 0 HB3 SER A 73 -6.783 -5.197 4.740 1.00 0.16 H new ATOM 0 HG SER A 73 -5.853 -6.979 5.896 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.029 -3.082 3.087 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.316 -2.876 1.852 1.00 0.08 C ATOM 1141 C LYS A 74 -3.347 -1.758 2.009 1.00 0.06 C ATOM 1142 O LYS A 74 -2.161 -1.887 1.750 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.289 -2.514 0.777 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.303 -3.582 0.572 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.333 -3.124 -0.385 1.00 0.12 C ATOM 1146 CE LYS A 74 -7.057 -3.745 -1.704 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.492 -5.167 -1.768 1.00 1.02 N1+ ATOM 0 H LYS A 74 -5.942 -2.628 3.121 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.784 -3.791 1.590 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.790 -1.582 1.038 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.753 -2.337 -0.155 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.821 -4.485 0.196 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.768 -3.841 1.523 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.327 -3.403 -0.035 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.318 -2.037 -0.467 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -7.567 -3.177 -2.483 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -5.989 -3.686 -1.913 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -6.994 -5.648 -2.544 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.269 -5.639 -0.869 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -8.517 -5.209 -1.936 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.900 -0.659 2.438 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.168 0.536 2.681 1.00 0.04 C ATOM 1163 C TYR A 75 -1.976 0.264 3.560 1.00 0.05 C ATOM 1164 O TYR A 75 -0.860 0.548 3.183 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.053 1.551 3.378 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.221 2.576 4.098 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.059 2.513 5.472 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.658 3.639 3.413 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.356 3.477 6.152 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.941 4.609 4.082 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.584 4.399 5.393 1.00 0.08 C ATOM 1172 OH TYR A 75 -1.089 5.497 6.124 1.00 0.25 O ATOM 0 H TYR A 75 -4.898 -0.575 2.631 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.830 0.923 1.720 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.694 2.044 2.648 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.708 1.044 4.087 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.494 1.690 6.019 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.782 3.710 2.342 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.388 3.533 7.230 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.663 5.524 3.581 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.387 5.944 5.607 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.236 -0.308 4.728 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.226 -0.443 5.757 1.00 0.08 C ATOM 1184 C ASP A 76 -0.160 -1.358 5.238 1.00 0.09 C ATOM 1185 O ASP A 76 1.023 -1.213 5.508 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.803 -1.058 7.026 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.362 -0.329 8.281 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -2.228 0.245 8.977 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.148 -0.333 8.581 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.148 -0.688 4.983 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.835 0.546 5.998 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -2.891 -1.048 6.968 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.497 -2.102 7.091 1.00 0.13 H new ATOM 1194 N SER A 77 -0.642 -2.286 4.449 1.00 0.07 N ATOM 1195 CA SER A 77 0.156 -3.291 3.812 1.00 0.07 C ATOM 1196 C SER A 77 1.109 -2.612 2.862 1.00 0.06 C ATOM 1197 O SER A 77 2.328 -2.710 2.978 1.00 0.06 O ATOM 1198 CB SER A 77 -0.808 -4.201 3.053 1.00 0.08 C ATOM 1199 OG SER A 77 -0.158 -5.166 2.257 1.00 0.10 O ATOM 0 H SER A 77 -1.635 -2.361 4.228 1.00 0.07 H new ATOM 0 HA SER A 77 0.738 -3.873 4.527 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.457 -4.708 3.768 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.449 -3.590 2.418 1.00 0.08 H new ATOM 0 HG SER A 77 0.812 -5.078 2.363 1.00 0.10 H new ATOM 1205 N LEU A 78 0.505 -1.845 1.990 1.00 0.04 N ATOM 1206 CA LEU A 78 1.165 -1.160 0.925 1.00 0.04 C ATOM 1207 C LEU A 78 2.089 -0.104 1.511 1.00 0.04 C ATOM 1208 O LEU A 78 3.209 0.117 1.054 1.00 0.04 O ATOM 1209 CB LEU A 78 0.043 -0.557 0.099 1.00 0.03 C ATOM 1210 CG LEU A 78 0.427 0.116 -1.197 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.464 1.595 -0.955 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.764 -0.385 -1.691 1.00 0.04 C ATOM 0 H LEU A 78 -0.501 -1.679 2.010 1.00 0.04 H new ATOM 0 HA LEU A 78 1.790 -1.804 0.307 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.671 -1.348 -0.129 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.478 0.174 0.718 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.305 -0.118 -1.970 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.739 2.108 -1.877 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.519 1.935 -0.630 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.199 1.819 -0.182 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.017 0.115 -2.626 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.530 -0.172 -0.946 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.710 -1.461 -1.858 1.00 0.04 H new ATOM 1224 N ALA A 79 1.597 0.487 2.570 1.00 0.04 N ATOM 1225 CA ALA A 79 2.288 1.505 3.318 1.00 0.04 C ATOM 1226 C ALA A 79 3.493 0.925 3.978 1.00 0.05 C ATOM 1227 O ALA A 79 4.521 1.561 4.057 1.00 0.07 O ATOM 1228 CB ALA A 79 1.336 2.102 4.348 1.00 0.05 C ATOM 0 H ALA A 79 0.675 0.266 2.947 1.00 0.04 H new ATOM 0 HA ALA A 79 2.621 2.296 2.646 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.854 2.874 4.918 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.478 2.541 3.839 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.995 1.319 5.025 1.00 0.05 H new ATOM 1234 N THR A 80 3.370 -0.297 4.397 1.00 0.05 N ATOM 1235 CA THR A 80 4.457 -0.991 5.025 1.00 0.05 C ATOM 1236 C THR A 80 5.501 -1.378 3.999 1.00 0.05 C ATOM 1237 O THR A 80 6.686 -1.299 4.260 1.00 0.05 O ATOM 1238 CB THR A 80 3.944 -2.249 5.693 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.103 -1.917 6.806 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.096 -3.118 6.155 1.00 0.07 C ATOM 0 H THR A 80 2.513 -0.844 4.314 1.00 0.05 H new ATOM 0 HA THR A 80 4.904 -0.329 5.766 1.00 0.05 H new ATOM 0 HB THR A 80 3.359 -2.807 4.962 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.369 -1.343 6.502 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.705 -4.017 6.632 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.707 -3.399 5.297 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.706 -2.564 6.869 1.00 0.07 H new ATOM 1248 N GLN A 81 5.045 -1.783 2.828 1.00 0.05 N ATOM 1249 CA GLN A 81 5.889 -2.231 1.791 1.00 0.05 C ATOM 1250 C GLN A 81 6.702 -1.104 1.300 1.00 0.05 C ATOM 1251 O GLN A 81 7.892 -1.245 1.048 1.00 0.05 O ATOM 1252 CB GLN A 81 5.010 -2.797 0.711 1.00 0.05 C ATOM 1253 CG GLN A 81 4.374 -4.049 1.222 1.00 0.05 C ATOM 1254 CD GLN A 81 3.098 -4.426 0.564 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.244 -4.975 1.380 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.878 -4.204 -0.619 1.00 0.07 N flip ATOM 0 H GLN A 81 4.054 -1.801 2.589 1.00 0.05 H new ATOM 0 HA GLN A 81 6.578 -3.001 2.136 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.246 -2.073 0.427 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.597 -3.008 -0.183 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.081 -4.870 1.104 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.193 -3.935 2.291 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.596 -3.770 -1.199 1.00 0.07 H new ATOM 0 HE22 GLN A 81 1.976 -4.453 -1.025 1.00 0.07 H new ATOM 1265 N ILE A 82 6.073 0.036 1.199 1.00 0.04 N ATOM 1266 CA ILE A 82 6.821 1.177 0.838 1.00 0.04 C ATOM 1267 C ILE A 82 7.643 1.640 2.036 1.00 0.05 C ATOM 1268 O ILE A 82 8.813 1.889 1.887 1.00 0.05 O ATOM 1269 CB ILE A 82 5.990 2.359 0.271 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.253 3.113 1.339 1.00 0.05 C ATOM 1271 CG2 ILE A 82 5.000 1.943 -0.785 1.00 0.05 C ATOM 1272 CD1 ILE A 82 6.001 4.337 1.767 1.00 0.06 C ATOM 0 H ILE A 82 5.076 0.184 1.358 1.00 0.04 H new ATOM 0 HA ILE A 82 7.462 0.864 0.014 1.00 0.04 H new ATOM 0 HB ILE A 82 6.735 3.010 -0.186 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.268 3.399 0.969 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.094 2.463 2.200 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.454 2.818 -1.137 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.530 1.486 -1.621 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.299 1.223 -0.363 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.436 4.856 2.541 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.976 4.049 2.161 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.137 4.998 0.911 1.00 0.06 H new ATOM 1284 N LYS A 83 7.024 1.735 3.226 1.00 0.05 N ATOM 1285 CA LYS A 83 7.723 2.162 4.447 1.00 0.05 C ATOM 1286 C LYS A 83 8.943 1.320 4.723 1.00 0.05 C ATOM 1287 O LYS A 83 9.914 1.785 5.298 1.00 0.06 O ATOM 1288 CB LYS A 83 6.788 2.088 5.644 1.00 0.06 C ATOM 1289 CG LYS A 83 6.402 3.452 6.160 1.00 0.10 C ATOM 1290 CD LYS A 83 5.642 4.200 5.094 1.00 0.12 C ATOM 1291 CE LYS A 83 5.629 5.681 5.343 1.00 0.20 C ATOM 1292 NZ LYS A 83 4.848 6.053 6.553 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.037 1.520 3.366 1.00 0.05 H new ATOM 0 HA LYS A 83 8.045 3.191 4.287 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.888 1.541 5.365 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.269 1.524 6.443 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.789 3.353 7.056 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.294 4.010 6.444 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.092 4.000 4.121 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.617 3.831 5.053 1.00 0.12 H new ATOM 0 HE2 LYS A 83 6.654 6.036 5.454 1.00 0.20 H new ATOM 0 HE3 LYS A 83 5.209 6.188 4.474 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 4.872 7.085 6.678 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 3.862 5.741 6.440 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 5.263 5.594 7.389 1.00 0.95 H new ATOM 1306 N ALA A 84 8.858 0.078 4.337 1.00 0.05 N ATOM 1307 CA ALA A 84 9.955 -0.833 4.386 1.00 0.05 C ATOM 1308 C ALA A 84 11.011 -0.405 3.446 1.00 0.04 C ATOM 1309 O ALA A 84 12.188 -0.328 3.785 1.00 0.05 O ATOM 1310 CB ALA A 84 9.451 -2.144 3.930 1.00 0.05 C ATOM 0 H ALA A 84 8.000 -0.334 3.971 1.00 0.05 H new ATOM 0 HA ALA A 84 10.363 -0.875 5.396 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.261 -2.873 3.952 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.648 -2.474 4.589 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.072 -2.054 2.912 1.00 0.05 H new ATOM 1316 N ILE A 85 10.567 -0.136 2.247 1.00 0.04 N ATOM 1317 CA ILE A 85 11.436 0.297 1.229 1.00 0.04 C ATOM 1318 C ILE A 85 12.092 1.551 1.686 1.00 0.04 C ATOM 1319 O ILE A 85 13.293 1.695 1.612 1.00 0.05 O ATOM 1320 CB ILE A 85 10.679 0.543 -0.072 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.268 -0.789 -0.654 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.514 1.365 -1.027 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.321 -0.685 -1.813 1.00 0.04 C ATOM 0 H ILE A 85 9.590 -0.216 1.966 1.00 0.04 H new ATOM 0 HA ILE A 85 12.181 -0.474 1.032 1.00 0.04 H new ATOM 0 HB ILE A 85 9.776 1.123 0.119 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.162 -1.324 -0.976 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.803 -1.388 0.129 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.956 1.529 -1.949 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.750 2.326 -0.569 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.439 0.833 -1.252 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.075 -1.684 -2.173 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.409 -0.180 -1.494 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.789 -0.115 -2.616 1.00 0.04 H new ATOM 1335 N GLN A 86 11.272 2.406 2.243 1.00 0.04 N ATOM 1336 CA GLN A 86 11.704 3.640 2.767 1.00 0.05 C ATOM 1337 C GLN A 86 12.720 3.368 3.802 1.00 0.05 C ATOM 1338 O GLN A 86 13.803 3.849 3.707 1.00 0.07 O ATOM 1339 CB GLN A 86 10.551 4.378 3.394 1.00 0.06 C ATOM 1340 CG GLN A 86 9.412 4.552 2.444 1.00 0.06 C ATOM 1341 CD GLN A 86 9.000 5.982 2.266 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.601 6.618 1.296 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.160 6.507 2.997 1.00 0.08 N flip ATOM 0 H GLN A 86 10.269 2.244 2.338 1.00 0.04 H new ATOM 0 HA GLN A 86 12.117 4.253 1.966 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.208 3.834 4.274 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.890 5.356 3.736 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.690 4.138 1.475 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.558 3.977 2.803 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.721 5.964 3.741 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.904 7.485 2.859 1.00 0.08 H new ATOM 1352 N ASP A 87 12.353 2.517 4.742 1.00 0.05 N ATOM 1353 CA ASP A 87 13.211 2.179 5.870 1.00 0.06 C ATOM 1354 C ASP A 87 14.590 1.874 5.390 1.00 0.06 C ATOM 1355 O ASP A 87 15.555 2.517 5.762 1.00 0.08 O ATOM 1356 CB ASP A 87 12.725 0.932 6.604 1.00 0.08 C ATOM 1357 CG ASP A 87 12.898 1.048 8.108 1.00 0.20 C ATOM 1358 OD1 ASP A 87 12.119 1.788 8.749 1.00 0.40 O ATOM 1359 OD2 ASP A 87 13.811 0.405 8.661 1.00 0.39 O1- ATOM 0 H ASP A 87 11.452 2.039 4.748 1.00 0.05 H new ATOM 0 HA ASP A 87 13.192 3.039 6.540 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.673 0.763 6.373 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.274 0.063 6.243 1.00 0.08 H new ATOM 1364 N VAL A 88 14.664 0.903 4.529 1.00 0.04 N ATOM 1365 CA VAL A 88 15.934 0.405 4.105 1.00 0.04 C ATOM 1366 C VAL A 88 16.600 1.397 3.136 1.00 0.04 C ATOM 1367 O VAL A 88 17.779 1.674 3.273 1.00 0.05 O ATOM 1368 CB VAL A 88 15.805 -1.007 3.519 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.764 -1.803 4.289 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.462 -0.956 2.065 1.00 0.04 C ATOM 0 H VAL A 88 13.858 0.441 4.107 1.00 0.04 H new ATOM 0 HA VAL A 88 16.589 0.316 4.972 1.00 0.04 H new ATOM 0 HB VAL A 88 16.769 -1.507 3.617 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.682 -2.803 3.863 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.063 -1.877 5.335 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.799 -1.300 4.222 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.377 -1.970 1.675 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.513 -0.436 1.933 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.245 -0.425 1.525 1.00 0.04 H new ATOM 1380 N ASN A 89 15.821 1.983 2.214 1.00 0.05 N ATOM 1381 CA ASN A 89 16.286 3.052 1.330 1.00 0.06 C ATOM 1382 C ASN A 89 16.785 4.214 2.143 1.00 0.07 C ATOM 1383 O ASN A 89 17.684 4.949 1.743 1.00 0.09 O ATOM 1384 CB ASN A 89 15.119 3.535 0.486 1.00 0.06 C ATOM 1385 CG ASN A 89 14.774 2.597 -0.636 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.227 1.462 -0.671 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.921 3.053 -1.530 1.00 0.08 N ATOM 0 H ASN A 89 14.846 1.724 2.063 1.00 0.05 H new ATOM 0 HA ASN A 89 17.090 2.668 0.702 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.245 3.664 1.125 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.359 4.514 0.072 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.611 2.451 -2.293 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.570 4.008 -1.459 1.00 0.08 H new ATOM 1394 N ALA A 90 16.180 4.342 3.299 1.00 0.07 N ATOM 1395 CA ALA A 90 16.428 5.434 4.210 1.00 0.08 C ATOM 1396 C ALA A 90 17.751 5.228 4.894 1.00 0.09 C ATOM 1397 O ALA A 90 18.270 6.105 5.580 1.00 0.12 O ATOM 1398 CB ALA A 90 15.310 5.489 5.224 1.00 0.09 C ATOM 0 H ALA A 90 15.487 3.676 3.640 1.00 0.07 H new ATOM 0 HA ALA A 90 16.463 6.377 3.665 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.488 6.311 5.917 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.361 5.646 4.711 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.273 4.550 5.776 1.00 0.09 H new ATOM 1404 N GLN A 91 18.274 4.036 4.707 1.00 0.07 N ATOM 1405 CA GLN A 91 19.538 3.658 5.260 1.00 0.08 C ATOM 1406 C GLN A 91 20.630 3.962 4.272 1.00 0.08 C ATOM 1407 O GLN A 91 21.776 4.052 4.634 1.00 0.10 O ATOM 1408 CB GLN A 91 19.532 2.182 5.630 1.00 0.07 C ATOM 1409 CG GLN A 91 18.417 1.775 6.577 1.00 0.08 C ATOM 1410 CD GLN A 91 18.128 2.779 7.674 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.742 2.789 8.726 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.153 3.602 7.437 1.00 0.14 N ATOM 0 H GLN A 91 17.823 3.302 4.161 1.00 0.07 H new ATOM 0 HA GLN A 91 19.721 4.230 6.169 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.450 1.592 4.717 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.489 1.931 6.087 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.507 1.615 5.999 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.676 0.820 7.035 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.660 3.566 6.545 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.879 4.285 8.143 1.00 0.14 H new ATOM 1421 N PHE A 92 20.259 4.130 3.024 1.00 0.08 N ATOM 1422 CA PHE A 92 21.213 4.513 1.989 1.00 0.09 C ATOM 1423 C PHE A 92 21.175 5.986 1.723 1.00 0.11 C ATOM 1424 O PHE A 92 20.190 6.670 1.996 1.00 0.12 O ATOM 1425 CB PHE A 92 20.956 3.780 0.674 1.00 0.09 C ATOM 1426 CG PHE A 92 20.852 2.318 0.825 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.920 1.494 0.557 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.680 1.770 1.261 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.811 0.145 0.735 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.560 0.430 1.437 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.627 -0.386 1.176 1.00 0.06 C ATOM 0 H PHE A 92 19.302 4.009 2.692 1.00 0.08 H new ATOM 0 HA PHE A 92 22.195 4.233 2.370 1.00 0.09 H new ATOM 0 HB2 PHE A 92 20.034 4.158 0.231 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.762 4.009 -0.023 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.849 1.916 0.204 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.837 2.412 1.469 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.653 -0.500 0.530 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.627 0.009 1.781 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.536 -1.453 1.318 1.00 0.06 H new ATOM 1441 N GLU A 93 22.283 6.451 1.180 1.00 0.12 N ATOM 1442 CA GLU A 93 22.431 7.818 0.778 1.00 0.14 C ATOM 1443 C GLU A 93 21.415 8.138 -0.307 1.00 0.14 C ATOM 1444 O GLU A 93 21.018 9.286 -0.500 1.00 0.16 O ATOM 1445 CB GLU A 93 23.846 8.056 0.280 1.00 0.16 C ATOM 1446 CG GLU A 93 24.912 7.709 1.311 1.00 0.17 C ATOM 1447 CD GLU A 93 26.140 8.588 1.201 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.374 9.411 2.107 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.883 8.452 0.204 1.00 0.37 O1- ATOM 0 H GLU A 93 23.108 5.877 1.008 1.00 0.12 H new ATOM 0 HA GLU A 93 22.252 8.475 1.629 1.00 0.14 H new ATOM 0 HB2 GLU A 93 24.012 7.462 -0.619 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.953 9.103 -0.005 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.489 7.806 2.311 1.00 0.17 H new ATOM 0 HG3 GLU A 93 25.205 6.666 1.188 1.00 0.17 H new ATOM 1456 N LYS A 94 21.017 7.089 -1.017 1.00 0.13 N ATOM 1457 CA LYS A 94 19.926 7.149 -1.976 1.00 0.14 C ATOM 1458 C LYS A 94 19.225 5.807 -1.955 1.00 0.12 C ATOM 1459 O LYS A 94 19.865 4.773 -1.791 1.00 0.12 O ATOM 1460 CB LYS A 94 20.367 7.455 -3.415 1.00 0.21 C ATOM 1461 CG LYS A 94 21.545 8.407 -3.552 1.00 0.75 C ATOM 1462 CD LYS A 94 21.763 8.791 -5.007 1.00 1.25 C ATOM 1463 CE LYS A 94 22.871 9.820 -5.167 1.00 2.08 C ATOM 1464 NZ LYS A 94 24.197 9.286 -4.770 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.447 6.167 -0.941 1.00 0.13 H new ATOM 0 HA LYS A 94 19.277 7.972 -1.678 1.00 0.14 H new ATOM 0 HB2 LYS A 94 20.623 6.516 -3.905 1.00 0.21 H new ATOM 0 HB3 LYS A 94 19.518 7.875 -3.955 1.00 0.21 H new ATOM 0 HG2 LYS A 94 21.365 9.303 -2.958 1.00 0.75 H new ATOM 0 HG3 LYS A 94 22.446 7.938 -3.156 1.00 0.75 H new ATOM 0 HD2 LYS A 94 22.011 7.900 -5.584 1.00 1.25 H new ATOM 0 HD3 LYS A 94 20.836 9.190 -5.419 1.00 1.25 H new ATOM 0 HE2 LYS A 94 22.911 10.150 -6.205 1.00 2.08 H new ATOM 0 HE3 LYS A 94 22.639 10.697 -4.563 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 24.932 9.993 -4.975 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 24.195 9.074 -3.752 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 24.395 8.416 -5.304 1.00 2.94 H new ATOM 1478 N PRO A 95 17.910 5.830 -2.130 1.00 0.11 N ATOM 1479 CA PRO A 95 17.041 4.662 -2.036 1.00 0.09 C ATOM 1480 C PRO A 95 17.561 3.480 -2.775 1.00 0.08 C ATOM 1481 O PRO A 95 18.044 3.610 -3.901 1.00 0.10 O ATOM 1482 CB PRO A 95 15.767 5.137 -2.715 1.00 0.11 C ATOM 1483 CG PRO A 95 15.736 6.580 -2.431 1.00 0.13 C ATOM 1484 CD PRO A 95 17.167 7.023 -2.511 1.00 0.14 C ATOM 0 HA PRO A 95 16.931 4.335 -1.002 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.788 4.940 -3.787 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.888 4.631 -2.315 1.00 0.11 H new ATOM 0 HG2 PRO A 95 15.117 7.111 -3.154 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.316 6.779 -1.445 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.429 7.356 -3.515 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.369 7.855 -1.836 1.00 0.14 H new ATOM 1492 N ALA A 96 17.443 2.308 -2.184 1.00 0.06 N ATOM 1493 CA ALA A 96 17.796 1.174 -2.941 1.00 0.06 C ATOM 1494 C ALA A 96 16.733 0.112 -2.869 1.00 0.05 C ATOM 1495 O ALA A 96 16.998 -1.045 -2.579 1.00 0.05 O ATOM 1496 CB ALA A 96 19.076 0.644 -2.358 1.00 0.05 C ATOM 0 H ALA A 96 17.121 2.140 -1.231 1.00 0.06 H new ATOM 0 HA ALA A 96 17.910 1.447 -3.990 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.391 -0.239 -2.914 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.850 1.409 -2.423 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.917 0.377 -1.313 1.00 0.05 H new ATOM 1502 N ILE A 97 15.543 0.534 -3.194 1.00 0.06 N ATOM 1503 CA ILE A 97 14.499 -0.238 -3.794 1.00 0.07 C ATOM 1504 C ILE A 97 13.751 0.721 -4.632 1.00 0.08 C ATOM 1505 O ILE A 97 12.978 1.487 -4.093 1.00 0.10 O ATOM 1506 CB ILE A 97 13.558 -0.865 -2.790 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.209 -2.068 -2.175 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.212 -1.218 -3.412 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.714 -1.787 -0.800 1.00 0.05 C ATOM 0 H ILE A 97 15.260 1.501 -3.033 1.00 0.06 H new ATOM 0 HA ILE A 97 14.928 -1.072 -4.350 1.00 0.07 H new ATOM 0 HB ILE A 97 13.353 -0.134 -2.008 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.493 -2.889 -2.138 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.036 -2.395 -2.805 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.568 -1.666 -2.655 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.742 -0.314 -3.800 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.362 -1.927 -4.226 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.178 -2.685 -0.392 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.450 -0.984 -0.840 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.883 -1.486 -0.162 1.00 0.05 H new ATOM 1521 N VAL A 98 13.991 0.758 -5.881 1.00 0.09 N ATOM 1522 CA VAL A 98 13.323 1.736 -6.689 1.00 0.10 C ATOM 1523 C VAL A 98 12.750 1.094 -7.919 1.00 0.10 C ATOM 1524 O VAL A 98 13.474 0.609 -8.788 1.00 0.14 O ATOM 1525 CB VAL A 98 14.224 2.932 -7.007 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.526 3.679 -5.704 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.498 2.482 -7.697 1.00 0.11 C ATOM 0 H VAL A 98 14.633 0.139 -6.377 1.00 0.09 H new ATOM 0 HA VAL A 98 12.490 2.143 -6.115 1.00 0.10 H new ATOM 0 HB VAL A 98 13.713 3.605 -7.695 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.168 4.534 -5.915 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.593 4.026 -5.259 1.00 0.10 H new ATOM 0 HG13 VAL A 98 15.032 3.009 -5.009 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.121 3.350 -7.912 1.00 0.11 H new ATOM 0 HG22 VAL A 98 16.042 1.797 -7.046 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.248 1.975 -8.629 1.00 0.11 H new ATOM 1537 N ASP A 99 11.431 1.061 -7.929 1.00 0.09 N ATOM 1538 CA ASP A 99 10.656 0.319 -8.921 1.00 0.11 C ATOM 1539 C ASP A 99 10.724 -1.169 -8.606 1.00 0.09 C ATOM 1540 O ASP A 99 10.900 -2.008 -9.489 1.00 0.11 O ATOM 1541 CB ASP A 99 11.145 0.580 -10.346 1.00 0.14 C ATOM 1542 CG ASP A 99 10.157 0.130 -11.413 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.436 -0.866 -12.116 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.103 0.782 -11.564 1.00 0.52 O1- ATOM 0 H ASP A 99 10.856 1.552 -7.244 1.00 0.09 H new ATOM 0 HA ASP A 99 9.623 0.664 -8.868 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.339 1.646 -10.467 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.093 0.064 -10.498 1.00 0.14 H new ATOM 1549 N GLY A 100 10.586 -1.487 -7.325 1.00 0.07 N ATOM 1550 CA GLY A 100 10.606 -2.867 -6.887 1.00 0.08 C ATOM 1551 C GLY A 100 11.954 -3.512 -7.032 1.00 0.08 C ATOM 1552 O GLY A 100 12.110 -4.695 -6.757 1.00 0.10 O ATOM 0 H GLY A 100 10.460 -0.806 -6.576 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.298 -2.915 -5.843 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.874 -3.435 -7.462 1.00 0.08 H new ATOM 1556 N VAL A 101 12.925 -2.747 -7.481 1.00 0.08 N ATOM 1557 CA VAL A 101 14.251 -3.258 -7.648 1.00 0.09 C ATOM 1558 C VAL A 101 15.245 -2.379 -6.954 1.00 0.08 C ATOM 1559 O VAL A 101 15.229 -1.158 -7.049 1.00 0.09 O ATOM 1560 CB VAL A 101 14.625 -3.428 -9.127 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.488 -2.112 -9.887 1.00 0.12 C ATOM 1562 CG2 VAL A 101 16.036 -3.991 -9.255 1.00 0.15 C ATOM 0 H VAL A 101 12.812 -1.766 -7.736 1.00 0.08 H new ATOM 0 HA VAL A 101 14.274 -4.248 -7.193 1.00 0.09 H new ATOM 0 HB VAL A 101 13.929 -4.138 -9.575 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.760 -2.265 -10.931 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.457 -1.763 -9.828 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.149 -1.366 -9.445 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.288 -4.106 -10.309 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.744 -3.308 -8.786 1.00 0.15 H new ATOM 0 HG23 VAL A 101 16.087 -4.962 -8.762 1.00 0.15 H new ATOM 1572 N LEU A 102 16.108 -3.047 -6.270 1.00 0.07 N ATOM 1573 CA LEU A 102 17.111 -2.443 -5.471 1.00 0.07 C ATOM 1574 C LEU A 102 18.119 -1.697 -6.320 1.00 0.09 C ATOM 1575 O LEU A 102 18.373 -2.033 -7.477 1.00 0.11 O ATOM 1576 CB LEU A 102 17.792 -3.560 -4.712 1.00 0.07 C ATOM 1577 CG LEU A 102 19.286 -3.383 -4.470 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.519 -2.406 -3.339 1.00 0.06 C ATOM 1579 CD2 LEU A 102 19.967 -4.706 -4.180 1.00 0.07 C ATOM 0 H LEU A 102 16.133 -4.067 -6.253 1.00 0.07 H new ATOM 0 HA LEU A 102 16.667 -1.713 -4.794 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.298 -3.672 -3.747 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.639 -4.491 -5.258 1.00 0.07 H new ATOM 0 HG LEU A 102 19.727 -2.982 -5.382 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.590 -2.288 -3.175 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.082 -1.441 -3.596 1.00 0.06 H new ATOM 0 HD13 LEU A 102 19.053 -2.784 -2.429 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.031 -4.539 -4.013 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.526 -5.155 -3.290 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.834 -5.377 -5.028 1.00 0.07 H new ATOM 1591 N ASP A 103 18.687 -0.695 -5.711 1.00 0.09 N ATOM 1592 CA ASP A 103 19.734 0.086 -6.308 1.00 0.11 C ATOM 1593 C ASP A 103 21.027 -0.332 -5.680 1.00 0.11 C ATOM 1594 O ASP A 103 21.400 0.177 -4.648 1.00 0.10 O ATOM 1595 CB ASP A 103 19.548 1.560 -6.020 1.00 0.13 C ATOM 1596 CG ASP A 103 19.819 2.430 -7.225 1.00 0.20 C ATOM 1597 OD1 ASP A 103 18.856 2.818 -7.914 1.00 0.46 O ATOM 1598 OD2 ASP A 103 21.002 2.736 -7.485 1.00 0.48 O1- ATOM 0 H ASP A 103 18.432 -0.393 -4.771 1.00 0.09 H new ATOM 0 HA ASP A 103 19.722 -0.073 -7.386 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.529 1.732 -5.675 1.00 0.13 H new ATOM 0 HB3 ASP A 103 20.213 1.854 -5.208 1.00 0.13 H new ATOM 1603 N THR A 104 21.704 -1.243 -6.307 1.00 0.12 N ATOM 1604 CA THR A 104 22.961 -1.773 -5.795 1.00 0.14 C ATOM 1605 C THR A 104 24.026 -0.718 -5.870 1.00 0.16 C ATOM 1606 O THR A 104 25.127 -0.850 -5.335 1.00 0.19 O ATOM 1607 CB THR A 104 23.393 -2.991 -6.593 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.166 -2.603 -7.737 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.159 -3.711 -7.052 1.00 0.16 C ATOM 0 H THR A 104 21.411 -1.652 -7.194 1.00 0.12 H new ATOM 0 HA THR A 104 22.814 -2.070 -4.757 1.00 0.14 H new ATOM 0 HB THR A 104 24.009 -3.634 -5.965 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.436 -3.402 -8.236 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.444 -4.591 -7.628 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.574 -4.019 -6.185 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.561 -3.047 -7.676 1.00 0.16 H new ATOM 1617 N ASN A 105 23.652 0.332 -6.543 1.00 0.16 N ATOM 1618 CA ASN A 105 24.499 1.479 -6.732 1.00 0.20 C ATOM 1619 C ASN A 105 24.359 2.407 -5.554 1.00 0.19 C ATOM 1620 O ASN A 105 25.052 3.415 -5.430 1.00 0.26 O ATOM 1621 CB ASN A 105 24.091 2.192 -8.002 1.00 0.26 C ATOM 1622 CG ASN A 105 25.227 2.956 -8.641 1.00 0.37 C ATOM 1623 OD1 ASN A 105 25.387 4.158 -8.424 1.00 0.70 O ATOM 1624 ND2 ASN A 105 26.027 2.261 -9.423 1.00 0.90 N ATOM 0 H ASN A 105 22.736 0.419 -6.984 1.00 0.16 H new ATOM 0 HA ASN A 105 25.539 1.162 -6.813 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.705 1.462 -8.714 1.00 0.26 H new ATOM 0 HB3 ASN A 105 23.277 2.881 -7.780 1.00 0.26 H new ATOM 0 HD21 ASN A 105 26.818 2.717 -9.878 1.00 0.90 H new ATOM 0 HD22 ASN A 105 25.856 1.267 -9.574 1.00 0.90 H new ATOM 1631 N ALA A 106 23.444 2.033 -4.694 1.00 0.14 N ATOM 1632 CA ALA A 106 23.131 2.821 -3.504 1.00 0.13 C ATOM 1633 C ALA A 106 24.226 2.729 -2.477 1.00 0.14 C ATOM 1634 O ALA A 106 25.207 1.998 -2.632 1.00 0.20 O ATOM 1635 CB ALA A 106 21.808 2.403 -2.896 1.00 0.10 C ATOM 0 H ALA A 106 22.892 1.180 -4.789 1.00 0.14 H new ATOM 0 HA ALA A 106 23.049 3.860 -3.824 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.606 3.009 -2.013 1.00 0.10 H new ATOM 0 HB2 ALA A 106 21.011 2.547 -3.625 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.854 1.352 -2.612 1.00 0.10 H new ATOM 1641 N LYS A 107 24.029 3.472 -1.421 1.00 0.13 N ATOM 1642 CA LYS A 107 25.053 3.692 -0.438 1.00 0.14 C ATOM 1643 C LYS A 107 24.511 3.577 0.953 1.00 0.12 C ATOM 1644 O LYS A 107 23.972 4.537 1.475 1.00 0.12 O ATOM 1645 CB LYS A 107 25.621 5.079 -0.618 1.00 0.17 C ATOM 1646 CG LYS A 107 26.805 5.119 -1.536 1.00 0.25 C ATOM 1647 CD LYS A 107 27.953 4.322 -0.938 1.00 0.80 C ATOM 1648 CE LYS A 107 28.371 4.893 0.410 1.00 1.20 C ATOM 1649 NZ LYS A 107 29.511 4.147 0.997 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.148 3.944 -1.218 1.00 0.13 H new ATOM 0 HA LYS A 107 25.823 2.933 -0.576 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.843 5.735 -1.010 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.911 5.475 0.355 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.535 4.709 -2.509 1.00 0.25 H new ATOM 0 HG3 LYS A 107 27.114 6.151 -1.699 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.654 3.281 -0.819 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.803 4.333 -1.621 1.00 0.80 H new ATOM 0 HE2 LYS A 107 28.646 5.941 0.291 1.00 1.20 H new ATOM 0 HE3 LYS A 107 27.525 4.861 1.096 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.765 4.567 1.914 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.241 3.152 1.135 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 30.327 4.198 0.355 1.00 1.99 H new ATOM 1663 N ALA A 108 24.672 2.431 1.565 1.00 0.11 N ATOM 1664 CA ALA A 108 24.159 2.239 2.901 1.00 0.10 C ATOM 1665 C ALA A 108 24.899 3.170 3.856 1.00 0.11 C ATOM 1666 O ALA A 108 26.055 2.932 4.207 1.00 0.13 O ATOM 1667 CB ALA A 108 24.284 0.781 3.309 1.00 0.10 C ATOM 0 H ALA A 108 25.149 1.623 1.166 1.00 0.11 H new ATOM 0 HA ALA A 108 23.098 2.488 2.936 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.893 0.651 4.318 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.716 0.160 2.617 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.333 0.485 3.285 1.00 0.10 H new ATOM 1673 N LYS A 109 24.220 4.262 4.199 1.00 0.11 N ATOM 1674 CA LYS A 109 24.735 5.322 5.054 1.00 0.13 C ATOM 1675 C LYS A 109 25.439 4.815 6.309 1.00 0.15 C ATOM 1676 O LYS A 109 25.287 3.661 6.718 1.00 0.14 O ATOM 1677 CB LYS A 109 23.578 6.218 5.472 1.00 0.14 C ATOM 1678 CG LYS A 109 23.256 7.258 4.432 1.00 0.15 C ATOM 1679 CD LYS A 109 22.152 8.199 4.876 1.00 0.17 C ATOM 1680 CE LYS A 109 20.804 7.523 4.792 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.695 8.423 5.197 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.268 4.436 3.878 1.00 0.11 H new ATOM 0 HA LYS A 109 25.481 5.861 4.471 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.695 5.606 5.656 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.825 6.712 6.412 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.154 7.835 4.209 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.958 6.763 3.508 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.337 8.526 5.899 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.156 9.092 4.251 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.636 7.179 3.771 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.803 6.639 5.430 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.862 7.855 5.450 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 19.990 8.990 6.017 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.455 9.056 4.407 1.00 0.26 H new ATOM 1695 N SER A 110 26.162 5.723 6.952 1.00 0.19 N ATOM 1696 CA SER A 110 26.819 5.444 8.223 1.00 0.22 C ATOM 1697 C SER A 110 25.797 5.382 9.339 1.00 0.23 C ATOM 1698 O SER A 110 26.126 5.165 10.505 1.00 0.26 O ATOM 1699 CB SER A 110 27.848 6.525 8.527 1.00 0.27 C ATOM 1700 OG SER A 110 28.741 6.698 7.438 1.00 0.29 O ATOM 0 H SER A 110 26.309 6.672 6.608 1.00 0.19 H new ATOM 0 HA SER A 110 27.323 4.480 8.151 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.340 7.466 8.739 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.409 6.257 9.423 1.00 0.27 H new ATOM 0 HG SER A 110 29.391 7.398 7.656 1.00 0.29 H new ATOM 1706 N ASP A 111 24.556 5.574 8.955 1.00 0.21 N ATOM 1707 CA ASP A 111 23.464 5.644 9.884 1.00 0.23 C ATOM 1708 C ASP A 111 22.479 4.533 9.567 1.00 0.19 C ATOM 1709 O ASP A 111 21.563 4.256 10.342 1.00 0.21 O ATOM 1710 CB ASP A 111 22.806 7.016 9.779 1.00 0.28 C ATOM 1711 CG ASP A 111 21.835 7.298 10.908 1.00 0.77 C ATOM 1712 OD1 ASP A 111 20.631 7.004 10.757 1.00 1.51 O ATOM 1713 OD2 ASP A 111 22.267 7.831 11.950 1.00 0.70 O1- ATOM 0 H ASP A 111 24.279 5.686 7.980 1.00 0.21 H new ATOM 0 HA ASP A 111 23.817 5.512 10.907 1.00 0.23 H new ATOM 0 HB2 ASP A 111 23.580 7.784 9.773 1.00 0.28 H new ATOM 0 HB3 ASP A 111 22.279 7.087 8.828 1.00 0.28 H new ATOM 1718 N ALA A 112 22.675 3.911 8.396 1.00 0.14 N ATOM 1719 CA ALA A 112 21.927 2.726 8.019 1.00 0.11 C ATOM 1720 C ALA A 112 21.887 1.706 9.138 1.00 0.12 C ATOM 1721 O ALA A 112 22.909 1.237 9.646 1.00 0.15 O ATOM 1722 CB ALA A 112 22.512 2.090 6.770 1.00 0.10 C ATOM 0 H ALA A 112 23.351 4.219 7.697 1.00 0.14 H new ATOM 0 HA ALA A 112 20.906 3.048 7.813 1.00 0.11 H new ATOM 0 HB1 ALA A 112 21.934 1.204 6.508 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.475 2.804 5.947 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.547 1.805 6.957 1.00 0.10 H new ATOM 1728 N LYS A 113 20.675 1.406 9.504 1.00 0.11 N ATOM 1729 CA LYS A 113 20.346 0.432 10.505 1.00 0.13 C ATOM 1730 C LYS A 113 19.161 -0.370 10.013 1.00 0.12 C ATOM 1731 O LYS A 113 18.019 0.091 10.053 1.00 0.13 O ATOM 1732 CB LYS A 113 19.982 1.138 11.791 1.00 0.15 C ATOM 1733 CG LYS A 113 20.522 0.451 13.034 1.00 0.24 C ATOM 1734 CD LYS A 113 19.892 1.002 14.306 1.00 0.34 C ATOM 1735 CE LYS A 113 20.201 2.476 14.506 1.00 1.46 C ATOM 1736 NZ LYS A 113 19.484 3.034 15.682 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.854 1.852 9.096 1.00 0.11 H new ATOM 0 HA LYS A 113 21.195 -0.226 10.689 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.362 2.159 11.756 1.00 0.15 H new ATOM 0 HB3 LYS A 113 18.897 1.204 11.865 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.331 -0.620 12.969 1.00 0.24 H new ATOM 0 HG3 LYS A 113 21.603 0.580 13.079 1.00 0.24 H new ATOM 0 HD2 LYS A 113 18.812 0.861 14.265 1.00 0.34 H new ATOM 0 HD3 LYS A 113 20.255 0.436 15.164 1.00 0.34 H new ATOM 0 HE2 LYS A 113 21.275 2.608 14.638 1.00 1.46 H new ATOM 0 HE3 LYS A 113 19.920 3.031 13.611 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 19.720 4.042 15.786 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 18.458 2.931 15.544 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 19.771 2.521 16.540 1.00 2.22 H new ATOM 1750 N PHE A 114 19.436 -1.556 9.535 1.00 0.11 N ATOM 1751 CA PHE A 114 18.438 -2.329 8.833 1.00 0.10 C ATOM 1752 C PHE A 114 17.617 -3.223 9.732 1.00 0.12 C ATOM 1753 O PHE A 114 18.006 -3.566 10.846 1.00 0.15 O ATOM 1754 CB PHE A 114 19.091 -3.153 7.754 1.00 0.08 C ATOM 1755 CG PHE A 114 19.588 -2.311 6.645 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.854 -1.771 6.703 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.798 -2.067 5.542 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.326 -0.997 5.683 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.265 -1.290 4.515 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.493 -0.741 4.577 1.00 0.06 C ATOM 0 H PHE A 114 20.345 -2.011 9.618 1.00 0.11 H new ATOM 0 HA PHE A 114 17.745 -1.609 8.398 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.919 -3.719 8.180 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.375 -3.878 7.367 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.478 -1.962 7.563 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.806 -2.490 5.487 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.324 -0.587 5.723 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.644 -1.116 3.649 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.840 -0.103 3.777 1.00 0.06 H new ATOM 1770 N THR A 115 16.464 -3.571 9.207 1.00 0.12 N ATOM 1771 CA THR A 115 15.563 -4.508 9.814 1.00 0.13 C ATOM 1772 C THR A 115 15.116 -5.481 8.747 1.00 0.13 C ATOM 1773 O THR A 115 14.921 -5.089 7.595 1.00 0.13 O ATOM 1774 CB THR A 115 14.353 -3.784 10.435 1.00 0.15 C ATOM 1775 OG1 THR A 115 14.043 -2.613 9.669 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.636 -3.389 11.875 1.00 0.20 C ATOM 0 H THR A 115 16.123 -3.196 8.322 1.00 0.12 H new ATOM 0 HA THR A 115 16.066 -5.041 10.621 1.00 0.13 H new ATOM 0 HB THR A 115 13.503 -4.467 10.424 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.272 -2.157 10.066 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.766 -2.880 12.290 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.848 -4.282 12.462 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.497 -2.721 11.907 1.00 0.20 H new ATOM 1784 N ASP A 116 15.027 -6.749 9.107 1.00 0.16 N ATOM 1785 CA ASP A 116 14.526 -7.779 8.205 1.00 0.18 C ATOM 1786 C ASP A 116 13.059 -7.584 8.003 1.00 0.17 C ATOM 1787 O ASP A 116 12.230 -8.393 8.431 1.00 0.23 O ATOM 1788 CB ASP A 116 14.760 -9.163 8.772 1.00 0.24 C ATOM 1789 CG ASP A 116 15.829 -9.944 8.035 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.011 -9.549 8.114 1.00 1.36 O ATOM 1791 OD2 ASP A 116 15.502 -10.955 7.376 1.00 0.88 O1- ATOM 0 H ASP A 116 15.298 -7.096 10.027 1.00 0.16 H new ATOM 0 HA ASP A 116 15.060 -7.694 7.259 1.00 0.18 H new ATOM 0 HB2 ASP A 116 15.044 -9.074 9.821 1.00 0.24 H new ATOM 0 HB3 ASP A 116 13.825 -9.723 8.741 1.00 0.24 H new ATOM 1796 N ILE A 117 12.756 -6.503 7.354 1.00 0.14 N ATOM 1797 CA ILE A 117 11.409 -6.072 7.222 1.00 0.13 C ATOM 1798 C ILE A 117 10.619 -6.993 6.351 1.00 0.15 C ATOM 1799 O ILE A 117 10.928 -7.198 5.180 1.00 0.18 O ATOM 1800 CB ILE A 117 11.308 -4.647 6.689 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.881 -3.710 7.733 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.859 -4.293 6.363 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.571 -2.253 7.483 1.00 0.12 C ATOM 0 H ILE A 117 13.441 -5.897 6.902 1.00 0.14 H new ATOM 0 HA ILE A 117 10.987 -6.089 8.227 1.00 0.13 H new ATOM 0 HB ILE A 117 11.875 -4.552 5.763 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.493 -3.991 8.712 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.963 -3.840 7.770 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.810 -3.272 5.984 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.478 -4.979 5.607 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.253 -4.375 7.265 1.00 0.12 H new ATOM 0 HD11 ILE A 117 12.015 -1.646 8.272 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.983 -1.953 6.520 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.491 -2.107 7.477 1.00 0.12 H new ATOM 1815 N LYS A 118 9.635 -7.592 6.953 1.00 0.14 N ATOM 1816 CA LYS A 118 8.657 -8.305 6.198 1.00 0.16 C ATOM 1817 C LYS A 118 7.379 -7.539 6.148 1.00 0.14 C ATOM 1818 O LYS A 118 6.690 -7.327 7.148 1.00 0.22 O ATOM 1819 CB LYS A 118 8.443 -9.694 6.740 1.00 0.23 C ATOM 1820 CG LYS A 118 9.704 -10.495 6.656 1.00 0.30 C ATOM 1821 CD LYS A 118 10.014 -10.932 5.232 1.00 0.38 C ATOM 1822 CE LYS A 118 11.197 -11.887 5.173 1.00 1.10 C ATOM 1823 NZ LYS A 118 12.460 -11.243 5.623 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.491 -7.599 7.963 1.00 0.14 H new ATOM 0 HA LYS A 118 9.030 -8.414 5.180 1.00 0.16 H new ATOM 0 HB2 LYS A 118 8.110 -9.638 7.776 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.652 -10.191 6.178 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.534 -9.903 7.042 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.617 -11.375 7.293 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.137 -11.415 4.802 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.226 -10.054 4.622 1.00 0.38 H new ATOM 0 HE2 LYS A 118 10.992 -12.757 5.797 1.00 1.10 H new ATOM 0 HE3 LYS A 118 11.319 -12.249 4.152 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 13.248 -11.914 5.518 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 12.645 -10.399 5.044 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 12.372 -10.966 6.621 1.00 1.87 H new ATOM 1837 N THR A 119 7.115 -7.097 4.964 1.00 0.10 N ATOM 1838 CA THR A 119 5.908 -6.406 4.637 1.00 0.09 C ATOM 1839 C THR A 119 4.831 -7.419 4.396 1.00 0.12 C ATOM 1840 O THR A 119 3.634 -7.118 4.416 1.00 0.16 O ATOM 1841 CB THR A 119 6.135 -5.622 3.358 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.405 -6.525 2.280 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.307 -4.713 3.531 1.00 0.06 C ATOM 0 H THR A 119 7.750 -7.209 4.173 1.00 0.10 H new ATOM 0 HA THR A 119 5.620 -5.735 5.446 1.00 0.09 H new ATOM 0 HB THR A 119 5.242 -5.038 3.135 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.339 -6.819 2.326 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.470 -4.150 2.612 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.113 -4.021 4.351 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.195 -5.303 3.757 1.00 0.06 H new ATOM 1851 N GLY A 120 5.285 -8.639 4.164 1.00 0.13 N ATOM 1852 CA GLY A 120 4.398 -9.654 3.703 1.00 0.14 C ATOM 1853 C GLY A 120 4.473 -9.800 2.198 1.00 0.13 C ATOM 1854 O GLY A 120 4.017 -10.797 1.634 1.00 0.18 O ATOM 0 H GLY A 120 6.253 -8.933 4.290 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.649 -10.603 4.177 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.377 -9.411 3.998 1.00 0.14 H new ATOM 1858 N ASN A 121 5.051 -8.797 1.541 1.00 0.10 N ATOM 1859 CA ASN A 121 5.247 -8.841 0.104 1.00 0.10 C ATOM 1860 C ASN A 121 6.597 -9.448 -0.203 1.00 0.16 C ATOM 1861 O ASN A 121 7.564 -8.733 -0.363 1.00 0.30 O ATOM 1862 CB ASN A 121 5.168 -7.434 -0.492 1.00 0.11 C ATOM 1863 CG ASN A 121 5.224 -7.427 -2.000 1.00 0.16 C ATOM 1864 OD1 ASN A 121 4.967 -8.435 -2.656 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.523 -6.271 -2.559 1.00 0.13 N ATOM 0 H ASN A 121 5.391 -7.945 1.987 1.00 0.10 H new ATOM 0 HA ASN A 121 4.460 -9.452 -0.339 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.242 -6.959 -0.166 1.00 0.11 H new ATOM 0 HB3 ASN A 121 5.989 -6.833 -0.101 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.548 -6.187 -3.575 1.00 0.13 H new ATOM 0 HD22 ASN A 121 5.729 -5.460 -1.975 1.00 0.13 H new ATOM 1872 N THR A 122 6.648 -10.770 -0.251 1.00 0.15 N ATOM 1873 CA THR A 122 7.899 -11.512 -0.325 1.00 0.16 C ATOM 1874 C THR A 122 8.907 -10.922 -1.280 1.00 0.12 C ATOM 1875 O THR A 122 9.992 -10.576 -0.861 1.00 0.11 O ATOM 1876 CB THR A 122 7.638 -12.944 -0.738 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.624 -13.524 0.097 1.00 0.26 O ATOM 1878 CG2 THR A 122 8.916 -13.752 -0.660 1.00 0.19 C ATOM 0 H THR A 122 5.818 -11.363 -0.240 1.00 0.15 H new ATOM 0 HA THR A 122 8.325 -11.458 0.677 1.00 0.16 H new ATOM 0 HB THR A 122 7.285 -12.954 -1.769 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.462 -14.450 -0.180 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.715 -14.781 -0.960 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.662 -13.319 -1.327 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.293 -13.739 0.363 1.00 0.19 H new ATOM 1886 N GLU A 123 8.560 -10.824 -2.548 1.00 0.14 N ATOM 1887 CA GLU A 123 9.458 -10.280 -3.551 1.00 0.14 C ATOM 1888 C GLU A 123 9.993 -8.942 -3.112 1.00 0.11 C ATOM 1889 O GLU A 123 11.164 -8.649 -3.293 1.00 0.15 O ATOM 1890 CB GLU A 123 8.719 -10.128 -4.860 1.00 0.21 C ATOM 1891 CG GLU A 123 7.961 -11.375 -5.249 1.00 0.30 C ATOM 1892 CD GLU A 123 8.393 -11.913 -6.596 1.00 1.16 C ATOM 1893 OE1 GLU A 123 9.514 -12.450 -6.695 1.00 1.66 O ATOM 1894 OE2 GLU A 123 7.602 -11.815 -7.560 1.00 1.46 O1- ATOM 0 H GLU A 123 7.653 -11.117 -2.912 1.00 0.14 H new ATOM 0 HA GLU A 123 10.296 -10.964 -3.680 1.00 0.14 H new ATOM 0 HB2 GLU A 123 8.022 -9.293 -4.785 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.430 -9.880 -5.648 1.00 0.21 H new ATOM 0 HG2 GLU A 123 8.112 -12.141 -4.489 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.894 -11.156 -5.273 1.00 0.30 H new ATOM 1901 N LEU A 124 9.138 -8.164 -2.484 1.00 0.09 N ATOM 1902 CA LEU A 124 9.538 -6.896 -1.944 1.00 0.07 C ATOM 1903 C LEU A 124 10.451 -7.130 -0.777 1.00 0.08 C ATOM 1904 O LEU A 124 11.481 -6.509 -0.668 1.00 0.08 O ATOM 1905 CB LEU A 124 8.347 -6.130 -1.447 1.00 0.07 C ATOM 1906 CG LEU A 124 8.714 -5.015 -0.503 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.450 -3.947 -1.249 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.492 -4.478 0.167 1.00 0.05 C ATOM 0 H LEU A 124 8.156 -8.396 -2.337 1.00 0.09 H new ATOM 0 HA LEU A 124 10.036 -6.328 -2.730 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.808 -5.715 -2.299 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.666 -6.816 -0.943 1.00 0.07 H new ATOM 0 HG LEU A 124 9.371 -5.399 0.277 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.715 -3.141 -0.564 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.357 -4.366 -1.684 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.815 -3.554 -2.043 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.773 -3.673 0.846 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.803 -4.094 -0.586 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.006 -5.275 0.730 1.00 0.05 H new ATOM 1920 N ASP A 125 10.042 -8.043 0.081 1.00 0.09 N ATOM 1921 CA ASP A 125 10.793 -8.411 1.255 1.00 0.12 C ATOM 1922 C ASP A 125 12.188 -8.833 0.840 1.00 0.12 C ATOM 1923 O ASP A 125 13.167 -8.614 1.551 1.00 0.19 O ATOM 1924 CB ASP A 125 10.060 -9.548 1.977 1.00 0.21 C ATOM 1925 CG ASP A 125 8.785 -9.089 2.667 1.00 0.97 C ATOM 1926 OD1 ASP A 125 7.916 -9.934 2.965 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.646 -7.872 2.915 1.00 1.21 O1- ATOM 0 H ASP A 125 9.166 -8.555 -0.023 1.00 0.09 H new ATOM 0 HA ASP A 125 10.880 -7.566 1.938 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.816 -10.330 1.258 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.727 -9.991 2.716 1.00 0.21 H new ATOM 1932 N LYS A 126 12.254 -9.421 -0.341 1.00 0.10 N ATOM 1933 CA LYS A 126 13.499 -9.819 -0.947 1.00 0.10 C ATOM 1934 C LYS A 126 14.239 -8.654 -1.579 1.00 0.11 C ATOM 1935 O LYS A 126 15.453 -8.709 -1.735 1.00 0.17 O ATOM 1936 CB LYS A 126 13.217 -10.900 -1.985 1.00 0.11 C ATOM 1937 CG LYS A 126 12.328 -12.007 -1.454 1.00 0.13 C ATOM 1938 CD LYS A 126 12.299 -13.222 -2.372 1.00 0.18 C ATOM 1939 CE LYS A 126 13.667 -13.874 -2.512 1.00 0.62 C ATOM 1940 NZ LYS A 126 14.178 -14.379 -1.211 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.433 -9.635 -0.907 1.00 0.10 H new ATOM 0 HA LYS A 126 14.150 -10.207 -0.163 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.744 -10.446 -2.856 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.161 -11.328 -2.322 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.679 -12.309 -0.467 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.314 -11.626 -1.328 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.589 -13.952 -1.982 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.940 -12.922 -3.356 1.00 0.18 H new ATOM 0 HE2 LYS A 126 13.605 -14.699 -3.222 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.373 -13.152 -2.923 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 15.015 -14.975 -1.374 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 14.438 -13.575 -0.605 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.439 -14.941 -0.742 1.00 1.29 H new ATOM 1954 N VAL A 127 13.537 -7.593 -1.917 1.00 0.08 N ATOM 1955 CA VAL A 127 14.183 -6.448 -2.503 1.00 0.07 C ATOM 1956 C VAL A 127 14.547 -5.469 -1.406 1.00 0.06 C ATOM 1957 O VAL A 127 15.520 -4.726 -1.500 1.00 0.06 O ATOM 1958 CB VAL A 127 13.312 -5.746 -3.545 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.090 -4.622 -4.195 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.835 -6.722 -4.601 1.00 0.09 C ATOM 0 H VAL A 127 12.528 -7.504 -1.796 1.00 0.08 H new ATOM 0 HA VAL A 127 15.075 -6.803 -3.019 1.00 0.07 H new ATOM 0 HB VAL A 127 12.438 -5.336 -3.039 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.463 -4.127 -4.936 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.392 -3.901 -3.435 1.00 0.07 H new ATOM 0 HG13 VAL A 127 14.976 -5.028 -4.683 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.218 -6.197 -5.330 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.696 -7.162 -5.105 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.248 -7.510 -4.129 1.00 0.09 H new ATOM 1970 N LEU A 128 13.753 -5.500 -0.354 1.00 0.06 N ATOM 1971 CA LEU A 128 14.051 -4.781 0.862 1.00 0.05 C ATOM 1972 C LEU A 128 15.412 -5.234 1.298 1.00 0.06 C ATOM 1973 O LEU A 128 16.327 -4.463 1.566 1.00 0.06 O ATOM 1974 CB LEU A 128 13.065 -5.179 1.945 1.00 0.06 C ATOM 1975 CG LEU A 128 11.618 -4.874 1.641 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.747 -5.192 2.839 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.466 -3.425 1.231 1.00 0.06 C ATOM 0 H LEU A 128 12.881 -6.027 -0.322 1.00 0.06 H new ATOM 0 HA LEU A 128 13.999 -3.705 0.698 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.163 -6.249 2.128 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.340 -4.671 2.869 1.00 0.06 H new ATOM 0 HG LEU A 128 11.292 -5.501 0.811 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.707 -4.966 2.603 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.842 -6.249 3.087 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.065 -4.590 3.690 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.418 -3.216 1.014 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.804 -2.780 2.042 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.066 -3.234 0.341 1.00 0.06 H new ATOM 1989 N ASP A 129 15.488 -6.547 1.282 1.00 0.06 N ATOM 1990 CA ASP A 129 16.657 -7.319 1.656 1.00 0.07 C ATOM 1991 C ASP A 129 17.835 -6.971 0.808 1.00 0.07 C ATOM 1992 O ASP A 129 18.955 -6.820 1.278 1.00 0.07 O ATOM 1993 CB ASP A 129 16.345 -8.753 1.358 1.00 0.10 C ATOM 1994 CG ASP A 129 16.842 -9.715 2.415 1.00 0.17 C ATOM 1995 OD1 ASP A 129 17.783 -10.485 2.137 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.292 -9.700 3.538 1.00 0.35 O1- ATOM 0 H ASP A 129 14.703 -7.133 0.996 1.00 0.06 H new ATOM 0 HA ASP A 129 16.887 -7.123 2.703 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.266 -8.867 1.254 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.788 -9.020 0.399 1.00 0.10 H new ATOM 2001 N LYS A 130 17.537 -6.929 -0.463 1.00 0.07 N ATOM 2002 CA LYS A 130 18.460 -6.580 -1.505 1.00 0.07 C ATOM 2003 C LYS A 130 19.259 -5.387 -1.100 1.00 0.06 C ATOM 2004 O LYS A 130 20.479 -5.365 -1.196 1.00 0.07 O ATOM 2005 CB LYS A 130 17.603 -6.276 -2.701 1.00 0.08 C ATOM 2006 CG LYS A 130 17.706 -7.242 -3.857 1.00 0.12 C ATOM 2007 CD LYS A 130 17.941 -8.628 -3.389 1.00 0.15 C ATOM 2008 CE LYS A 130 19.408 -9.034 -3.498 1.00 1.00 C ATOM 2009 NZ LYS A 130 19.631 -10.446 -3.088 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.604 -7.147 -0.813 1.00 0.07 H new ATOM 0 HA LYS A 130 19.172 -7.377 -1.717 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.563 -6.239 -2.377 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.860 -5.280 -3.062 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.789 -7.206 -4.445 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.519 -6.937 -4.516 1.00 0.12 H new ATOM 0 HD2 LYS A 130 17.617 -8.719 -2.352 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.331 -9.316 -3.975 1.00 0.15 H new ATOM 0 HE2 LYS A 130 19.746 -8.898 -4.525 1.00 1.00 H new ATOM 0 HE3 LYS A 130 20.013 -8.376 -2.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 20.641 -10.678 -3.178 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 19.334 -10.572 -2.099 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 19.075 -11.077 -3.700 1.00 1.66 H new ATOM 2023 N ALA A 131 18.548 -4.436 -0.584 1.00 0.06 N ATOM 2024 CA ALA A 131 19.142 -3.199 -0.156 1.00 0.05 C ATOM 2025 C ALA A 131 19.990 -3.438 1.059 1.00 0.05 C ATOM 2026 O ALA A 131 21.146 -3.062 1.112 1.00 0.05 O ATOM 2027 CB ALA A 131 18.071 -2.205 0.171 1.00 0.04 C ATOM 0 H ALA A 131 17.539 -4.490 -0.445 1.00 0.06 H new ATOM 0 HA ALA A 131 19.763 -2.807 -0.961 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.529 -1.270 0.495 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.461 -2.023 -0.714 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.443 -2.597 0.971 1.00 0.04 H new ATOM 2033 N ILE A 132 19.395 -4.070 2.038 1.00 0.05 N ATOM 2034 CA ILE A 132 20.092 -4.451 3.243 1.00 0.06 C ATOM 2035 C ILE A 132 21.360 -5.204 2.934 1.00 0.08 C ATOM 2036 O ILE A 132 22.310 -5.207 3.714 1.00 0.09 O ATOM 2037 CB ILE A 132 19.203 -5.343 4.087 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.798 -4.772 4.024 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.714 -5.441 5.517 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.866 -5.197 5.129 1.00 0.07 C ATOM 0 H ILE A 132 18.411 -4.336 2.023 1.00 0.05 H new ATOM 0 HA ILE A 132 20.345 -3.536 3.779 1.00 0.06 H new ATOM 0 HB ILE A 132 19.207 -6.362 3.700 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.868 -3.684 4.032 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.353 -5.056 3.070 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.054 -6.088 6.096 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.721 -5.858 5.516 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.733 -4.448 5.965 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.892 -4.730 4.983 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.754 -6.281 5.114 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.277 -4.888 6.090 1.00 0.07 H new ATOM 2052 N SER A 133 21.370 -5.832 1.783 1.00 0.08 N ATOM 2053 CA SER A 133 22.482 -6.617 1.383 1.00 0.10 C ATOM 2054 C SER A 133 23.592 -5.718 0.832 1.00 0.08 C ATOM 2055 O SER A 133 24.741 -6.133 0.674 1.00 0.11 O ATOM 2056 CB SER A 133 21.999 -7.623 0.383 1.00 0.13 C ATOM 2057 OG SER A 133 21.206 -8.625 1.006 1.00 1.33 O ATOM 0 H SER A 133 20.605 -5.805 1.109 1.00 0.08 H new ATOM 0 HA SER A 133 22.915 -7.150 2.230 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.416 -7.121 -0.389 1.00 0.13 H new ATOM 0 HB3 SER A 133 22.852 -8.086 -0.112 1.00 0.13 H new ATOM 0 HG SER A 133 20.330 -8.252 1.238 1.00 1.33 H new ATOM 2063 N LEU A 134 23.216 -4.476 0.552 1.00 0.08 N ATOM 2064 CA LEU A 134 24.150 -3.407 0.243 1.00 0.08 C ATOM 2065 C LEU A 134 24.709 -2.851 1.541 1.00 0.08 C ATOM 2066 O LEU A 134 25.821 -2.318 1.577 1.00 0.10 O ATOM 2067 CB LEU A 134 23.450 -2.285 -0.512 1.00 0.07 C ATOM 2068 CG LEU A 134 23.252 -2.436 -2.013 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.602 -3.746 -2.383 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.424 -1.272 -2.489 1.00 0.08 C ATOM 0 H LEU A 134 22.240 -4.182 0.534 1.00 0.08 H new ATOM 0 HA LEU A 134 24.950 -3.807 -0.380 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.468 -2.143 -0.060 1.00 0.07 H new ATOM 0 HB3 LEU A 134 24.014 -1.368 -0.342 1.00 0.07 H new ATOM 0 HG LEU A 134 24.227 -2.440 -2.500 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.485 -3.801 -3.465 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.228 -4.571 -2.043 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.623 -3.813 -1.908 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.266 -1.354 -3.564 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.461 -1.278 -1.979 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.945 -0.340 -2.269 1.00 0.08 H new ATOM 2082 N GLY A 135 23.912 -2.970 2.605 1.00 0.09 N ATOM 2083 CA GLY A 135 24.336 -2.497 3.904 1.00 0.12 C ATOM 2084 C GLY A 135 25.571 -3.212 4.409 1.00 0.27 C ATOM 2085 O GLY A 135 25.713 -4.426 4.156 1.00 1.05 O ATOM 2086 OXT GLY A 135 26.419 -2.557 5.041 1.00 1.19 O ATOM 0 H GLY A 135 22.981 -3.387 2.584 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.537 -1.427 3.849 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.524 -2.633 4.619 1.00 0.12 H new TER 2090 GLY A 135