USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1109 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 109 ASN : amide:sc= -1.12! C(o=-6.4!,f=-11!) USER MOD Set 1.2: A 112 ASN : amide:sc= -5.28! C(o=-6.4!,f=-14!) USER MOD Set 2.1: A 61 HIS : no HD1:sc= -5.42 X(o=-7.2,f=-7.1!) USER MOD Set 2.2: A 98 SER OG : rot 180:sc= -1.82 USER MOD Set 3.1: A 17 ASN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 3.2: A 20 ASN :FLIP amide:sc= -1.21 F(o=-2.1,f=-1.2) USER MOD Set 4.1: A 13 MET CE :methyl -124:sc= -0.0377 (180deg=-1.58!) USER MOD Set 4.2: A 32 THR OG1 : rot -170:sc= -0.0534 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -105:sc= 0.00594 USER MOD Single : A 14 LYS NZ :NH3+ -107:sc= -1.63 (180deg=-4.8!) USER MOD Single : A 15 SER OG : rot -100:sc= 1.22 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 68:sc= 0.751 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 26 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 130:sc= -2.42! USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -7.91! C(o=-7.9!,f=-8!) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0.405 (180deg=0.383) USER MOD Single : A 41 ASN : amide:sc= -5.64! C(o=-5.6!,f=-16!) USER MOD Single : A 47 SER OG : rot -105:sc= 0.132 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 49:sc= 0.0549 USER MOD Single : A 57 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.68) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.48) USER MOD Single : A 66 SER OG : rot -125:sc= 1.21 USER MOD Single : A 68 MET CE :methyl -177:sc= -0.339 (180deg=-0.402) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 78 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.24) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HE2:sc= -0.162 K(o=-0.16,f=-4.1!) USER MOD Single : A 106 HIS : no HE2:sc= -3.16 K(o=-3.2,f=-6.1) USER MOD Single : A 114 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.76) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -119:sc= -0.572 (180deg=-1.8!) USER MOD Single : A 118 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.3) USER MOD Single : A 120 SER OG : rot 27:sc= 0.0076 USER MOD Single : A 124 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.56) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= -3.21! X(o=-3.2!,f=-2.7) USER MOD Single : A 136 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.153 -8.011 4.381 1.00 0.00 N ATOM 2 CA GLY A 1 -31.412 -8.010 3.133 1.00 0.00 C ATOM 3 C GLY A 1 -30.043 -8.647 3.272 1.00 0.00 C ATOM 4 O GLY A 1 -29.914 -9.747 3.810 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.081 -7.565 4.234 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.286 -8.990 4.705 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.623 -7.478 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.983 -8.545 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.298 -6.984 2.782 1.00 0.00 H new ATOM 8 N SER A 2 -29.018 -7.956 2.784 1.00 0.00 N ATOM 9 CA SER A 2 -27.653 -8.463 2.851 1.00 0.00 C ATOM 10 C SER A 2 -26.667 -7.335 3.138 1.00 0.00 C ATOM 11 O SER A 2 -26.947 -6.167 2.866 1.00 0.00 O ATOM 12 CB SER A 2 -27.280 -9.161 1.542 1.00 0.00 C ATOM 13 OG SER A 2 -28.175 -10.223 1.257 1.00 0.00 O ATOM 0 H SER A 2 -29.107 -7.043 2.338 1.00 0.00 H new ATOM 0 HA SER A 2 -27.600 -9.184 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.294 -8.440 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.263 -9.547 1.609 1.00 0.00 H new ATOM 0 HG SER A 2 -27.916 -10.652 0.415 1.00 0.00 H new ATOM 19 N SER A 3 -25.511 -7.692 3.688 1.00 0.00 N ATOM 20 CA SER A 3 -24.484 -6.710 4.015 1.00 0.00 C ATOM 21 C SER A 3 -23.091 -7.322 3.902 1.00 0.00 C ATOM 22 O SER A 3 -22.877 -8.476 4.270 1.00 0.00 O ATOM 23 CB SER A 3 -24.701 -6.165 5.428 1.00 0.00 C ATOM 24 OG SER A 3 -23.759 -5.152 5.735 1.00 0.00 O ATOM 0 H SER A 3 -25.262 -8.654 3.917 1.00 0.00 H new ATOM 0 HA SER A 3 -24.560 -5.890 3.301 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.711 -5.765 5.516 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.616 -6.976 6.151 1.00 0.00 H new ATOM 0 HG SER A 3 -23.920 -4.819 6.643 1.00 0.00 H new ATOM 30 N GLY A 4 -22.147 -6.539 3.391 1.00 0.00 N ATOM 31 CA GLY A 4 -20.786 -7.020 3.238 1.00 0.00 C ATOM 32 C GLY A 4 -19.980 -6.896 4.516 1.00 0.00 C ATOM 33 O GLY A 4 -19.591 -5.796 4.908 1.00 0.00 O ATOM 0 H GLY A 4 -22.300 -5.580 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.806 -8.064 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.292 -6.458 2.445 1.00 0.00 H new ATOM 37 N SER A 5 -19.731 -8.027 5.168 1.00 0.00 N ATOM 38 CA SER A 5 -18.971 -8.040 6.413 1.00 0.00 C ATOM 39 C SER A 5 -17.472 -8.086 6.134 1.00 0.00 C ATOM 40 O SER A 5 -16.708 -7.269 6.647 1.00 0.00 O ATOM 41 CB SER A 5 -19.379 -9.238 7.272 1.00 0.00 C ATOM 42 OG SER A 5 -18.587 -9.319 8.444 1.00 0.00 O ATOM 0 H SER A 5 -20.044 -8.946 4.855 1.00 0.00 H new ATOM 0 HA SER A 5 -19.194 -7.121 6.955 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.431 -9.152 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.274 -10.156 6.694 1.00 0.00 H new ATOM 0 HG SER A 5 -18.869 -10.092 8.976 1.00 0.00 H new ATOM 48 N SER A 6 -17.058 -9.050 5.317 1.00 0.00 N ATOM 49 CA SER A 6 -15.650 -9.207 4.971 1.00 0.00 C ATOM 50 C SER A 6 -15.291 -8.356 3.757 1.00 0.00 C ATOM 51 O SER A 6 -16.111 -8.151 2.863 1.00 0.00 O ATOM 52 CB SER A 6 -15.333 -10.677 4.691 1.00 0.00 C ATOM 53 OG SER A 6 -13.947 -10.935 4.829 1.00 0.00 O ATOM 0 H SER A 6 -17.678 -9.734 4.883 1.00 0.00 H new ATOM 0 HA SER A 6 -15.053 -8.870 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.894 -11.310 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.656 -10.936 3.683 1.00 0.00 H new ATOM 0 HG SER A 6 -13.771 -11.882 4.647 1.00 0.00 H new ATOM 59 N GLY A 7 -14.056 -7.863 3.732 1.00 0.00 N ATOM 60 CA GLY A 7 -13.608 -7.041 2.623 1.00 0.00 C ATOM 61 C GLY A 7 -12.126 -6.729 2.694 1.00 0.00 C ATOM 62 O GLY A 7 -11.494 -6.918 3.733 1.00 0.00 O ATOM 0 H GLY A 7 -13.358 -8.018 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.824 -7.553 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.172 -6.109 2.615 1.00 0.00 H new ATOM 66 N VAL A 8 -11.570 -6.252 1.585 1.00 0.00 N ATOM 67 CA VAL A 8 -10.153 -5.914 1.526 1.00 0.00 C ATOM 68 C VAL A 8 -9.883 -4.560 2.173 1.00 0.00 C ATOM 69 O VAL A 8 -10.717 -3.656 2.117 1.00 0.00 O ATOM 70 CB VAL A 8 -9.643 -5.886 0.072 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.596 -5.098 -0.813 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.240 -5.303 0.011 1.00 0.00 C ATOM 0 H VAL A 8 -12.079 -6.091 0.716 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.620 -6.689 2.076 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.603 -6.910 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.219 -5.089 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.581 -5.565 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.672 -4.075 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.896 -5.291 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.252 -4.285 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.566 -5.914 0.611 1.00 0.00 H new ATOM 82 N ARG A 9 -8.712 -4.427 2.787 1.00 0.00 N ATOM 83 CA ARG A 9 -8.332 -3.184 3.447 1.00 0.00 C ATOM 84 C ARG A 9 -7.357 -2.387 2.584 1.00 0.00 C ATOM 85 O ARG A 9 -6.935 -2.845 1.522 1.00 0.00 O ATOM 86 CB ARG A 9 -7.702 -3.476 4.810 1.00 0.00 C ATOM 87 CG ARG A 9 -8.524 -4.421 5.670 1.00 0.00 C ATOM 88 CD ARG A 9 -9.534 -3.665 6.519 1.00 0.00 C ATOM 89 NE ARG A 9 -10.108 -4.506 7.566 1.00 0.00 N ATOM 90 CZ ARG A 9 -10.687 -4.025 8.660 1.00 0.00 C ATOM 91 NH1 ARG A 9 -10.768 -2.715 8.850 1.00 0.00 N ATOM 92 NH2 ARG A 9 -11.186 -4.854 9.568 1.00 0.00 N ATOM 0 H ARG A 9 -8.010 -5.165 2.841 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.234 -2.589 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.711 -3.905 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.564 -2.537 5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.045 -5.135 5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.861 -4.996 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.050 -2.800 6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.332 -3.285 5.881 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.062 -5.518 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.385 -2.074 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.213 -2.348 9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.125 -5.862 9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.630 -4.483 10.408 1.00 0.00 H new ATOM 106 N TYR A 10 -7.005 -1.193 3.048 1.00 0.00 N ATOM 107 CA TYR A 10 -6.082 -0.332 2.318 1.00 0.00 C ATOM 108 C TYR A 10 -5.074 0.312 3.264 1.00 0.00 C ATOM 109 O TYR A 10 -5.442 1.078 4.155 1.00 0.00 O ATOM 110 CB TYR A 10 -6.854 0.752 1.562 1.00 0.00 C ATOM 111 CG TYR A 10 -7.796 0.205 0.514 1.00 0.00 C ATOM 112 CD1 TYR A 10 -8.920 -0.526 0.875 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.561 0.420 -0.839 1.00 0.00 C ATOM 114 CE1 TYR A 10 -9.783 -1.029 -0.080 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.420 -0.077 -1.801 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.529 -0.801 -1.416 1.00 0.00 C ATOM 117 OH TYR A 10 -10.387 -1.298 -2.370 1.00 0.00 O ATOM 0 H TYR A 10 -7.345 -0.800 3.926 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.538 -0.948 1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.424 1.346 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.143 1.426 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.123 -0.705 1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.692 0.985 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.651 -1.597 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.224 0.101 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.979 -2.077 -2.803 1.00 0.00 H new ATOM 127 N PHE A 11 -3.799 -0.003 3.063 1.00 0.00 N ATOM 128 CA PHE A 11 -2.735 0.544 3.898 1.00 0.00 C ATOM 129 C PHE A 11 -1.735 1.332 3.057 1.00 0.00 C ATOM 130 O PHE A 11 -1.331 0.893 1.980 1.00 0.00 O ATOM 131 CB PHE A 11 -2.016 -0.581 4.645 1.00 0.00 C ATOM 132 CG PHE A 11 -2.941 -1.470 5.425 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.323 -1.134 6.714 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.429 -2.642 4.870 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.175 -1.950 7.435 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.282 -3.461 5.585 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.654 -3.116 6.869 1.00 0.00 C ATOM 0 H PHE A 11 -3.477 -0.634 2.329 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.187 1.221 4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.462 -1.187 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.285 -0.145 5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.951 -0.224 7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.139 -2.919 3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.466 -1.677 8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.657 -4.370 5.140 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.318 -3.756 7.430 1.00 0.00 H new ATOM 147 N ILE A 12 -1.340 2.498 3.557 1.00 0.00 N ATOM 148 CA ILE A 12 -0.387 3.347 2.853 1.00 0.00 C ATOM 149 C ILE A 12 1.043 3.048 3.289 1.00 0.00 C ATOM 150 O ILE A 12 1.398 3.228 4.453 1.00 0.00 O ATOM 151 CB ILE A 12 -0.682 4.840 3.089 1.00 0.00 C ATOM 152 CG1 ILE A 12 -2.003 5.233 2.424 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.459 5.696 2.560 1.00 0.00 C ATOM 154 CD1 ILE A 12 -1.920 5.312 0.916 1.00 0.00 C ATOM 0 H ILE A 12 -1.665 2.876 4.447 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.494 3.127 1.791 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.772 5.012 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.769 4.509 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.323 6.199 2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.235 6.748 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.382 5.431 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.578 5.523 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.892 5.595 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.177 6.057 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.631 4.340 0.516 1.00 0.00 H new ATOM 166 N MET A 13 1.860 2.590 2.345 1.00 0.00 N ATOM 167 CA MET A 13 3.253 2.268 2.632 1.00 0.00 C ATOM 168 C MET A 13 4.192 3.238 1.921 1.00 0.00 C ATOM 169 O MET A 13 4.228 3.295 0.692 1.00 0.00 O ATOM 170 CB MET A 13 3.565 0.833 2.205 1.00 0.00 C ATOM 171 CG MET A 13 2.457 -0.154 2.535 1.00 0.00 C ATOM 172 SD MET A 13 1.640 0.216 4.099 1.00 0.00 S ATOM 173 CE MET A 13 2.815 -0.470 5.265 1.00 0.00 C ATOM 0 H MET A 13 1.581 2.434 1.376 1.00 0.00 H new ATOM 0 HA MET A 13 3.408 2.361 3.707 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.749 0.814 1.131 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.485 0.510 2.692 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.719 -0.147 1.733 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.873 -1.161 2.576 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.312 -1.196 5.904 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.622 -0.962 4.722 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.227 0.330 5.880 1.00 0.00 H new ATOM 183 N LYS A 14 4.950 4.000 2.702 1.00 0.00 N ATOM 184 CA LYS A 14 5.890 4.967 2.149 1.00 0.00 C ATOM 185 C LYS A 14 7.259 4.331 1.929 1.00 0.00 C ATOM 186 O LYS A 14 7.662 3.433 2.668 1.00 0.00 O ATOM 187 CB LYS A 14 6.020 6.174 3.081 1.00 0.00 C ATOM 188 CG LYS A 14 4.686 6.715 3.565 1.00 0.00 C ATOM 189 CD LYS A 14 3.932 7.419 2.449 1.00 0.00 C ATOM 190 CE LYS A 14 4.515 8.795 2.164 1.00 0.00 C ATOM 191 NZ LYS A 14 5.727 8.715 1.302 1.00 0.00 N ATOM 0 H LYS A 14 4.931 3.966 3.721 1.00 0.00 H new ATOM 0 HA LYS A 14 5.505 5.300 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.623 5.893 3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.557 6.967 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.080 5.897 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.851 7.410 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.969 6.812 1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.882 7.517 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.762 9.415 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.770 9.284 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.573 8.912 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.800 7.762 0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.656 9.416 0.537 1.00 0.00 H new ATOM 205 N SER A 15 7.969 4.803 0.910 1.00 0.00 N ATOM 206 CA SER A 15 9.292 4.279 0.592 1.00 0.00 C ATOM 207 C SER A 15 10.318 5.405 0.512 1.00 0.00 C ATOM 208 O SER A 15 10.162 6.348 -0.263 1.00 0.00 O ATOM 209 CB SER A 15 9.256 3.512 -0.731 1.00 0.00 C ATOM 210 OG SER A 15 10.510 2.913 -1.009 1.00 0.00 O ATOM 0 H SER A 15 7.650 5.548 0.290 1.00 0.00 H new ATOM 0 HA SER A 15 9.587 3.598 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.484 2.744 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.986 4.190 -1.541 1.00 0.00 H new ATOM 0 HG SER A 15 10.999 3.463 -1.657 1.00 0.00 H new ATOM 216 N SER A 16 11.369 5.298 1.320 1.00 0.00 N ATOM 217 CA SER A 16 12.420 6.308 1.345 1.00 0.00 C ATOM 218 C SER A 16 12.901 6.627 -0.068 1.00 0.00 C ATOM 219 O SER A 16 12.909 7.783 -0.486 1.00 0.00 O ATOM 220 CB SER A 16 13.595 5.832 2.201 1.00 0.00 C ATOM 221 OG SER A 16 13.322 6.001 3.581 1.00 0.00 O ATOM 0 H SER A 16 11.515 4.522 1.966 1.00 0.00 H new ATOM 0 HA SER A 16 12.006 7.216 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.798 4.781 1.993 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.493 6.389 1.934 1.00 0.00 H new ATOM 0 HG SER A 16 14.088 5.688 4.107 1.00 0.00 H new ATOM 227 N ASN A 17 13.302 5.590 -0.797 1.00 0.00 N ATOM 228 CA ASN A 17 13.785 5.758 -2.163 1.00 0.00 C ATOM 229 C ASN A 17 12.979 4.902 -3.134 1.00 0.00 C ATOM 230 O ASN A 17 12.094 4.147 -2.727 1.00 0.00 O ATOM 231 CB ASN A 17 15.268 5.389 -2.250 1.00 0.00 C ATOM 232 CG ASN A 17 16.144 6.320 -1.433 1.00 0.00 C ATOM 233 OD1 ASN A 17 16.481 7.419 -1.873 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.517 5.882 -0.236 1.00 0.00 N ATOM 0 H ASN A 17 13.302 4.626 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 17 13.661 6.805 -2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.406 4.365 -1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.586 5.417 -3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.107 6.464 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.214 4.964 0.088 1.00 0.00 H new ATOM 241 N LEU A 18 13.291 5.023 -4.420 1.00 0.00 N ATOM 242 CA LEU A 18 12.596 4.260 -5.451 1.00 0.00 C ATOM 243 C LEU A 18 13.189 2.861 -5.586 1.00 0.00 C ATOM 244 O LEU A 18 12.465 1.866 -5.585 1.00 0.00 O ATOM 245 CB LEU A 18 12.673 4.990 -6.793 1.00 0.00 C ATOM 246 CG LEU A 18 11.645 4.571 -7.845 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.185 3.142 -7.602 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.458 5.524 -7.840 1.00 0.00 C ATOM 0 H LEU A 18 14.021 5.642 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 18 11.551 4.165 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.561 6.059 -6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.670 4.841 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 18 12.118 4.617 -8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.454 2.861 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.041 2.470 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.730 3.069 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.737 5.211 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.985 5.511 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.801 6.534 -8.064 1.00 0.00 H new ATOM 260 N ARG A 19 14.512 2.794 -5.699 1.00 0.00 N ATOM 261 CA ARG A 19 15.203 1.517 -5.834 1.00 0.00 C ATOM 262 C ARG A 19 14.610 0.476 -4.889 1.00 0.00 C ATOM 263 O ARG A 19 14.166 -0.587 -5.321 1.00 0.00 O ATOM 264 CB ARG A 19 16.696 1.688 -5.549 1.00 0.00 C ATOM 265 CG ARG A 19 17.433 0.374 -5.350 1.00 0.00 C ATOM 266 CD ARG A 19 17.283 -0.536 -6.559 1.00 0.00 C ATOM 267 NE ARG A 19 18.429 -1.428 -6.718 1.00 0.00 N ATOM 268 CZ ARG A 19 19.631 -1.018 -7.107 1.00 0.00 C ATOM 269 NH1 ARG A 19 19.844 0.262 -7.375 1.00 0.00 N ATOM 270 NH2 ARG A 19 20.624 -1.891 -7.228 1.00 0.00 N ATOM 0 H ARG A 19 15.126 3.608 -5.700 1.00 0.00 H new ATOM 0 HA ARG A 19 15.073 1.169 -6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.155 2.231 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.819 2.302 -4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.490 0.572 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.048 -0.130 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.374 -1.129 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.168 0.071 -7.457 1.00 0.00 H new ATOM 0 HE ARG A 19 18.299 -2.420 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.084 0.936 -7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.768 0.574 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.464 -2.877 -7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.547 -1.576 -7.527 1.00 0.00 H new ATOM 284 N ASN A 20 14.608 0.789 -3.597 1.00 0.00 N ATOM 285 CA ASN A 20 14.071 -0.119 -2.591 1.00 0.00 C ATOM 286 C ASN A 20 12.765 -0.749 -3.068 1.00 0.00 C ATOM 287 O ASN A 20 12.484 -1.913 -2.781 1.00 0.00 O ATOM 288 CB ASN A 20 13.840 0.624 -1.274 1.00 0.00 C ATOM 289 CG ASN A 20 14.932 1.635 -0.981 1.00 0.00 C ATOM 290 OD1 ASN A 20 14.559 2.743 -0.351 1.00 0.00 O flip ATOM 291 ND2 ASN A 20 16.096 1.422 -1.319 1.00 0.00 N flip ATOM 0 H ASN A 20 14.973 1.665 -3.223 1.00 0.00 H new ATOM 0 HA ASN A 20 14.800 -0.913 -2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.877 1.134 -1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.787 -0.097 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 20 16.337 0.556 -1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.820 2.111 -1.117 1.00 0.00 H new ATOM 298 N LEU A 21 11.972 0.028 -3.797 1.00 0.00 N ATOM 299 CA LEU A 21 10.696 -0.453 -4.315 1.00 0.00 C ATOM 300 C LEU A 21 10.910 -1.443 -5.456 1.00 0.00 C ATOM 301 O LEU A 21 10.164 -2.412 -5.597 1.00 0.00 O ATOM 302 CB LEU A 21 9.843 0.722 -4.798 1.00 0.00 C ATOM 303 CG LEU A 21 8.366 0.420 -5.051 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.616 0.283 -3.735 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.740 1.505 -5.914 1.00 0.00 C ATOM 0 H LEU A 21 12.190 0.994 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 21 10.174 -0.965 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.908 1.520 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.278 1.106 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 21 8.295 -0.527 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.566 0.068 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.048 -0.531 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.695 1.213 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.689 1.273 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.823 2.466 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.260 1.554 -6.871 1.00 0.00 H new ATOM 317 N GLU A 22 11.934 -1.193 -6.266 1.00 0.00 N ATOM 318 CA GLU A 22 12.246 -2.064 -7.393 1.00 0.00 C ATOM 319 C GLU A 22 12.300 -3.524 -6.954 1.00 0.00 C ATOM 320 O GLU A 22 11.813 -4.412 -7.654 1.00 0.00 O ATOM 321 CB GLU A 22 13.580 -1.660 -8.024 1.00 0.00 C ATOM 322 CG GLU A 22 13.551 -0.294 -8.689 1.00 0.00 C ATOM 323 CD GLU A 22 12.396 -0.143 -9.660 1.00 0.00 C ATOM 324 OE1 GLU A 22 12.267 -0.995 -10.564 1.00 0.00 O ATOM 325 OE2 GLU A 22 11.622 0.826 -9.516 1.00 0.00 O ATOM 0 H GLU A 22 12.561 -0.395 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 22 11.454 -1.955 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.352 -1.664 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.864 -2.409 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.480 0.478 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.490 -0.132 -9.219 1.00 0.00 H new ATOM 332 N ILE A 23 12.895 -3.764 -5.790 1.00 0.00 N ATOM 333 CA ILE A 23 13.012 -5.116 -5.257 1.00 0.00 C ATOM 334 C ILE A 23 11.651 -5.802 -5.195 1.00 0.00 C ATOM 335 O ILE A 23 11.540 -7.005 -5.430 1.00 0.00 O ATOM 336 CB ILE A 23 13.638 -5.114 -3.850 1.00 0.00 C ATOM 337 CG1 ILE A 23 15.109 -4.701 -3.923 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.498 -6.486 -3.207 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.310 -3.231 -4.218 1.00 0.00 C ATOM 0 H ILE A 23 13.303 -3.040 -5.198 1.00 0.00 H new ATOM 0 HA ILE A 23 13.664 -5.667 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 23 13.107 -4.389 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.593 -4.943 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.605 -5.289 -4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.945 -6.469 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.442 -6.744 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.007 -7.229 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.377 -3.010 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.855 -2.987 -5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.843 -2.635 -3.434 1.00 0.00 H new ATOM 351 N SER A 24 10.618 -5.028 -4.879 1.00 0.00 N ATOM 352 CA SER A 24 9.264 -5.561 -4.784 1.00 0.00 C ATOM 353 C SER A 24 8.679 -5.808 -6.172 1.00 0.00 C ATOM 354 O SER A 24 7.729 -6.574 -6.328 1.00 0.00 O ATOM 355 CB SER A 24 8.368 -4.598 -4.004 1.00 0.00 C ATOM 356 OG SER A 24 7.135 -5.210 -3.665 1.00 0.00 O ATOM 0 H SER A 24 10.693 -4.030 -4.684 1.00 0.00 H new ATOM 0 HA SER A 24 9.310 -6.512 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.879 -4.275 -3.097 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.182 -3.705 -4.601 1.00 0.00 H new ATOM 0 HG SER A 24 7.292 -5.919 -3.007 1.00 0.00 H new ATOM 362 N GLN A 25 9.254 -5.152 -7.175 1.00 0.00 N ATOM 363 CA GLN A 25 8.789 -5.298 -8.549 1.00 0.00 C ATOM 364 C GLN A 25 9.437 -6.507 -9.216 1.00 0.00 C ATOM 365 O GLN A 25 8.855 -7.119 -10.112 1.00 0.00 O ATOM 366 CB GLN A 25 9.096 -4.033 -9.351 1.00 0.00 C ATOM 367 CG GLN A 25 8.453 -2.779 -8.779 1.00 0.00 C ATOM 368 CD GLN A 25 8.497 -1.610 -9.743 1.00 0.00 C ATOM 369 OE1 GLN A 25 9.107 -1.691 -10.809 1.00 0.00 O ATOM 370 NE2 GLN A 25 7.849 -0.512 -9.371 1.00 0.00 N ATOM 0 H GLN A 25 10.042 -4.515 -7.062 1.00 0.00 H new ATOM 0 HA GLN A 25 7.710 -5.452 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.176 -3.891 -9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.754 -4.171 -10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.416 -2.993 -8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.962 -2.503 -7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.356 -0.488 -8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.844 0.308 -9.978 1.00 0.00 H new ATOM 379 N GLN A 26 10.644 -6.845 -8.774 1.00 0.00 N ATOM 380 CA GLN A 26 11.370 -7.981 -9.330 1.00 0.00 C ATOM 381 C GLN A 26 11.213 -9.213 -8.446 1.00 0.00 C ATOM 382 O GLN A 26 10.739 -10.257 -8.895 1.00 0.00 O ATOM 383 CB GLN A 26 12.853 -7.637 -9.488 1.00 0.00 C ATOM 384 CG GLN A 26 13.098 -6.315 -10.197 1.00 0.00 C ATOM 385 CD GLN A 26 13.169 -6.466 -11.704 1.00 0.00 C ATOM 386 OE1 GLN A 26 13.651 -7.477 -12.216 1.00 0.00 O ATOM 387 NE2 GLN A 26 12.689 -5.459 -12.423 1.00 0.00 N ATOM 0 H GLN A 26 11.140 -6.349 -8.033 1.00 0.00 H new ATOM 0 HA GLN A 26 10.949 -8.204 -10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.317 -7.602 -8.502 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.345 -8.435 -10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.300 -5.617 -9.943 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.029 -5.880 -9.835 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.299 -4.640 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.711 -5.504 -13.442 1.00 0.00 H new ATOM 396 N LYS A 27 11.615 -9.086 -7.186 1.00 0.00 N ATOM 397 CA LYS A 27 11.519 -10.189 -6.237 1.00 0.00 C ATOM 398 C LYS A 27 10.061 -10.519 -5.932 1.00 0.00 C ATOM 399 O LYS A 27 9.716 -11.672 -5.676 1.00 0.00 O ATOM 400 CB LYS A 27 12.256 -9.840 -4.942 1.00 0.00 C ATOM 401 CG LYS A 27 13.601 -9.173 -5.168 1.00 0.00 C ATOM 402 CD LYS A 27 14.411 -9.897 -6.230 1.00 0.00 C ATOM 403 CE LYS A 27 15.846 -9.395 -6.274 1.00 0.00 C ATOM 404 NZ LYS A 27 16.706 -10.084 -5.273 1.00 0.00 N ATOM 0 H LYS A 27 12.011 -8.230 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 27 11.985 -11.065 -6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.628 -9.180 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.405 -10.751 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.448 -8.137 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.160 -9.154 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.405 -10.968 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.945 -9.755 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.255 -9.551 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.861 -8.321 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.676 -9.714 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.331 -9.914 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.713 -11.106 -5.466 1.00 0.00 H new ATOM 418 N GLY A 28 9.209 -9.498 -5.962 1.00 0.00 N ATOM 419 CA GLY A 28 7.799 -9.701 -5.689 1.00 0.00 C ATOM 420 C GLY A 28 7.498 -9.755 -4.204 1.00 0.00 C ATOM 421 O GLY A 28 6.569 -10.441 -3.777 1.00 0.00 O ATOM 0 H GLY A 28 9.471 -8.534 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.224 -8.894 -6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.471 -10.629 -6.157 1.00 0.00 H new ATOM 425 N ILE A 29 8.286 -9.032 -3.416 1.00 0.00 N ATOM 426 CA ILE A 29 8.099 -9.001 -1.971 1.00 0.00 C ATOM 427 C ILE A 29 8.304 -7.594 -1.420 1.00 0.00 C ATOM 428 O ILE A 29 8.716 -6.687 -2.143 1.00 0.00 O ATOM 429 CB ILE A 29 9.065 -9.965 -1.257 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.448 -9.912 -1.910 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.514 -11.383 -1.285 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.279 -8.727 -1.470 1.00 0.00 C ATOM 0 H ILE A 29 9.060 -8.460 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 29 7.074 -9.318 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 29 9.163 -9.654 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.987 -10.830 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.329 -9.880 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.207 -12.053 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.549 -11.408 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.391 -11.705 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.246 -8.754 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.761 -7.803 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.430 -8.769 -0.391 1.00 0.00 H new ATOM 444 N TRP A 30 8.015 -7.420 -0.135 1.00 0.00 N ATOM 445 CA TRP A 30 8.170 -6.123 0.514 1.00 0.00 C ATOM 446 C TRP A 30 8.339 -6.285 2.021 1.00 0.00 C ATOM 447 O TRP A 30 7.677 -7.115 2.643 1.00 0.00 O ATOM 448 CB TRP A 30 6.962 -5.234 0.217 1.00 0.00 C ATOM 449 CG TRP A 30 7.064 -3.869 0.827 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.330 -3.380 1.870 1.00 0.00 C ATOM 451 CD2 TRP A 30 7.951 -2.817 0.430 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.707 -2.088 2.145 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.701 -1.719 1.277 1.00 0.00 C ATOM 454 CE3 TRP A 30 8.934 -2.697 -0.556 1.00 0.00 C ATOM 455 CZ2 TRP A 30 8.397 -0.519 1.164 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.624 -1.504 -0.667 1.00 0.00 C ATOM 457 CH2 TRP A 30 9.353 -0.429 0.190 1.00 0.00 C ATOM 0 H TRP A 30 7.672 -8.160 0.478 1.00 0.00 H new ATOM 0 HA TRP A 30 9.067 -5.650 0.115 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.850 -5.134 -0.863 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.061 -5.723 0.587 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.566 -3.928 2.400 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.311 -1.498 2.877 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.151 -3.521 -1.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 8.190 0.312 1.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.384 -1.399 -1.427 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.910 0.489 0.079 1.00 0.00 H new ATOM 468 N SER A 31 9.229 -5.487 2.601 1.00 0.00 N ATOM 469 CA SER A 31 9.488 -5.545 4.035 1.00 0.00 C ATOM 470 C SER A 31 9.193 -4.201 4.695 1.00 0.00 C ATOM 471 O SER A 31 9.848 -3.198 4.409 1.00 0.00 O ATOM 472 CB SER A 31 10.940 -5.948 4.297 1.00 0.00 C ATOM 473 OG SER A 31 11.168 -6.162 5.679 1.00 0.00 O ATOM 0 H SER A 31 9.783 -4.792 2.100 1.00 0.00 H new ATOM 0 HA SER A 31 8.827 -6.296 4.469 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.175 -6.856 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.609 -5.169 3.931 1.00 0.00 H new ATOM 0 HG SER A 31 11.611 -7.027 5.807 1.00 0.00 H new ATOM 479 N THR A 32 8.202 -4.189 5.581 1.00 0.00 N ATOM 480 CA THR A 32 7.819 -2.969 6.281 1.00 0.00 C ATOM 481 C THR A 32 8.168 -3.053 7.762 1.00 0.00 C ATOM 482 O THR A 32 8.560 -4.109 8.260 1.00 0.00 O ATOM 483 CB THR A 32 6.311 -2.689 6.136 1.00 0.00 C ATOM 484 OG1 THR A 32 6.025 -1.338 6.518 1.00 0.00 O ATOM 485 CG2 THR A 32 5.497 -3.646 6.994 1.00 0.00 C ATOM 0 H THR A 32 7.650 -5.010 5.831 1.00 0.00 H new ATOM 0 HA THR A 32 8.379 -2.153 5.824 1.00 0.00 H new ATOM 0 HB THR A 32 6.035 -2.838 5.092 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.055 -1.213 6.576 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.436 -3.429 6.875 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.695 -4.672 6.682 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.777 -3.524 8.040 1.00 0.00 H new ATOM 493 N THR A 33 8.024 -1.933 8.464 1.00 0.00 N ATOM 494 CA THR A 33 8.325 -1.880 9.889 1.00 0.00 C ATOM 495 C THR A 33 7.494 -2.896 10.665 1.00 0.00 C ATOM 496 O THR A 33 6.319 -3.124 10.375 1.00 0.00 O ATOM 497 CB THR A 33 8.067 -0.475 10.466 1.00 0.00 C ATOM 498 OG1 THR A 33 8.703 -0.345 11.742 1.00 0.00 O ATOM 499 CG2 THR A 33 6.576 -0.214 10.608 1.00 0.00 C ATOM 0 H THR A 33 7.701 -1.050 8.068 1.00 0.00 H new ATOM 0 HA THR A 33 9.383 -2.121 9.998 1.00 0.00 H new ATOM 0 HB THR A 33 8.484 0.259 9.776 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.536 0.551 12.101 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.419 0.784 11.017 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.100 -0.284 9.630 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.139 -0.954 11.279 1.00 0.00 H new ATOM 507 N PRO A 34 8.115 -3.520 11.677 1.00 0.00 N ATOM 508 CA PRO A 34 7.450 -4.521 12.516 1.00 0.00 C ATOM 509 C PRO A 34 6.386 -3.906 13.419 1.00 0.00 C ATOM 510 O PRO A 34 5.777 -4.596 14.236 1.00 0.00 O ATOM 511 CB PRO A 34 8.594 -5.098 13.354 1.00 0.00 C ATOM 512 CG PRO A 34 9.616 -4.015 13.396 1.00 0.00 C ATOM 513 CD PRO A 34 9.513 -3.297 12.079 1.00 0.00 C ATOM 0 HA PRO A 34 6.922 -5.266 11.921 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.256 -5.363 14.356 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.997 -6.005 12.903 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.430 -3.335 14.227 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.615 -4.427 13.539 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.737 -2.235 12.182 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.211 -3.701 11.346 1.00 0.00 H new ATOM 521 N SER A 35 6.168 -2.604 13.267 1.00 0.00 N ATOM 522 CA SER A 35 5.180 -1.895 14.071 1.00 0.00 C ATOM 523 C SER A 35 3.858 -1.767 13.320 1.00 0.00 C ATOM 524 O SER A 35 2.838 -1.390 13.896 1.00 0.00 O ATOM 525 CB SER A 35 5.700 -0.507 14.450 1.00 0.00 C ATOM 526 OG SER A 35 6.448 -0.554 15.653 1.00 0.00 O ATOM 0 H SER A 35 6.663 -2.018 12.594 1.00 0.00 H new ATOM 0 HA SER A 35 5.007 -2.471 14.980 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.323 -0.116 13.646 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.862 0.180 14.566 1.00 0.00 H new ATOM 0 HG SER A 35 6.771 0.345 15.873 1.00 0.00 H new ATOM 532 N ASN A 36 3.885 -2.085 12.030 1.00 0.00 N ATOM 533 CA ASN A 36 2.689 -2.005 11.198 1.00 0.00 C ATOM 534 C ASN A 36 2.471 -3.308 10.434 1.00 0.00 C ATOM 535 O ASN A 36 1.670 -3.364 9.501 1.00 0.00 O ATOM 536 CB ASN A 36 2.803 -0.838 10.216 1.00 0.00 C ATOM 537 CG ASN A 36 3.565 0.337 10.799 1.00 0.00 C ATOM 538 OD1 ASN A 36 3.562 0.552 12.011 1.00 0.00 O ATOM 539 ND2 ASN A 36 4.222 1.103 9.936 1.00 0.00 N ATOM 0 H ASN A 36 4.721 -2.400 11.538 1.00 0.00 H new ATOM 0 HA ASN A 36 1.832 -1.839 11.851 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.303 -1.178 9.309 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.804 -0.512 9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.752 1.908 10.270 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.196 0.887 8.940 1.00 0.00 H new ATOM 546 N GLU A 37 3.188 -4.352 10.837 1.00 0.00 N ATOM 547 CA GLU A 37 3.072 -5.653 10.190 1.00 0.00 C ATOM 548 C GLU A 37 1.816 -6.383 10.658 1.00 0.00 C ATOM 549 O GLU A 37 1.043 -6.894 9.846 1.00 0.00 O ATOM 550 CB GLU A 37 4.309 -6.505 10.483 1.00 0.00 C ATOM 551 CG GLU A 37 5.505 -6.162 9.611 1.00 0.00 C ATOM 552 CD GLU A 37 6.772 -6.865 10.056 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.683 -7.757 10.924 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.854 -6.522 9.534 1.00 0.00 O ATOM 0 H GLU A 37 3.855 -4.322 11.608 1.00 0.00 H new ATOM 0 HA GLU A 37 2.998 -5.490 9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.586 -6.381 11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.057 -7.556 10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.287 -6.434 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.666 -5.084 9.630 1.00 0.00 H new ATOM 561 N ARG A 38 1.620 -6.429 11.971 1.00 0.00 N ATOM 562 CA ARG A 38 0.459 -7.098 12.548 1.00 0.00 C ATOM 563 C ARG A 38 -0.761 -6.945 11.644 1.00 0.00 C ATOM 564 O ARG A 38 -1.237 -7.915 11.056 1.00 0.00 O ATOM 565 CB ARG A 38 0.154 -6.530 13.935 1.00 0.00 C ATOM 566 CG ARG A 38 -0.963 -7.263 14.661 1.00 0.00 C ATOM 567 CD ARG A 38 -2.329 -6.876 14.116 1.00 0.00 C ATOM 568 NE ARG A 38 -3.369 -6.958 15.137 1.00 0.00 N ATOM 569 CZ ARG A 38 -3.484 -6.094 16.140 1.00 0.00 C ATOM 570 NH1 ARG A 38 -2.628 -5.088 16.254 1.00 0.00 N ATOM 571 NH2 ARG A 38 -4.458 -6.235 17.030 1.00 0.00 N ATOM 0 H ARG A 38 2.250 -6.011 12.656 1.00 0.00 H new ATOM 0 HA ARG A 38 0.691 -8.159 12.640 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.058 -6.571 14.542 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.117 -5.479 13.836 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.821 -8.339 14.558 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.917 -7.035 15.726 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.287 -5.861 13.722 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.586 -7.531 13.284 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.044 -7.720 15.077 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.879 -4.976 15.571 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.719 -4.426 17.025 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.119 -7.007 16.945 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.546 -5.571 17.800 1.00 0.00 H new ATOM 585 N LYS A 39 -1.263 -5.719 11.539 1.00 0.00 N ATOM 586 CA LYS A 39 -2.427 -5.437 10.708 1.00 0.00 C ATOM 587 C LYS A 39 -2.356 -6.208 9.394 1.00 0.00 C ATOM 588 O LYS A 39 -3.196 -7.066 9.120 1.00 0.00 O ATOM 589 CB LYS A 39 -2.526 -3.936 10.426 1.00 0.00 C ATOM 590 CG LYS A 39 -1.193 -3.291 10.088 1.00 0.00 C ATOM 591 CD LYS A 39 -1.151 -1.836 10.525 1.00 0.00 C ATOM 592 CE LYS A 39 -2.244 -1.020 9.852 1.00 0.00 C ATOM 593 NZ LYS A 39 -2.344 0.351 10.424 1.00 0.00 N ATOM 0 H LYS A 39 -0.881 -4.904 12.020 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.316 -5.758 11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.218 -3.775 9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.950 -3.438 11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.388 -3.841 10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.019 -3.354 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.265 -1.777 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.177 -1.410 10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.042 -0.954 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.200 -1.531 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.154 0.846 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.478 0.289 11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.470 0.877 10.220 1.00 0.00 H new ATOM 607 N LEU A 40 -1.349 -5.898 8.584 1.00 0.00 N ATOM 608 CA LEU A 40 -1.168 -6.564 7.299 1.00 0.00 C ATOM 609 C LEU A 40 -1.375 -8.069 7.431 1.00 0.00 C ATOM 610 O LEU A 40 -1.979 -8.701 6.566 1.00 0.00 O ATOM 611 CB LEU A 40 0.229 -6.276 6.746 1.00 0.00 C ATOM 612 CG LEU A 40 0.635 -4.803 6.680 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.043 -4.662 6.125 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.356 -4.014 5.836 1.00 0.00 C ATOM 0 H LEU A 40 -0.646 -5.190 8.795 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.914 -6.173 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.957 -6.806 7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.294 -6.695 5.742 1.00 0.00 H new ATOM 0 HG LEU A 40 0.624 -4.397 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.315 -3.607 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.743 -5.193 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.082 -5.085 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.051 -2.968 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.378 -4.421 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.350 -4.088 6.278 1.00 0.00 H new ATOM 626 N ASN A 41 -0.870 -8.637 8.522 1.00 0.00 N ATOM 627 CA ASN A 41 -1.001 -10.069 8.768 1.00 0.00 C ATOM 628 C ASN A 41 -2.443 -10.433 9.106 1.00 0.00 C ATOM 629 O ASN A 41 -3.110 -11.137 8.347 1.00 0.00 O ATOM 630 CB ASN A 41 -0.075 -10.497 9.908 1.00 0.00 C ATOM 631 CG ASN A 41 1.358 -10.053 9.687 1.00 0.00 C ATOM 632 OD1 ASN A 41 1.620 -9.111 8.940 1.00 0.00 O ATOM 633 ND2 ASN A 41 2.295 -10.732 10.339 1.00 0.00 N ATOM 0 H ASN A 41 -0.367 -8.128 9.249 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.716 -10.597 7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.441 -10.080 10.846 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.105 -11.582 10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.277 -10.479 10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.032 -11.507 10.949 1.00 0.00 H new ATOM 640 N ARG A 42 -2.919 -9.947 10.248 1.00 0.00 N ATOM 641 CA ARG A 42 -4.282 -10.222 10.686 1.00 0.00 C ATOM 642 C ARG A 42 -5.282 -9.918 9.575 1.00 0.00 C ATOM 643 O ARG A 42 -6.025 -10.796 9.138 1.00 0.00 O ATOM 644 CB ARG A 42 -4.617 -9.395 11.929 1.00 0.00 C ATOM 645 CG ARG A 42 -5.748 -9.977 12.761 1.00 0.00 C ATOM 646 CD ARG A 42 -5.228 -10.956 13.801 1.00 0.00 C ATOM 647 NE ARG A 42 -6.284 -11.410 14.702 1.00 0.00 N ATOM 648 CZ ARG A 42 -6.070 -12.205 15.744 1.00 0.00 C ATOM 649 NH1 ARG A 42 -4.844 -12.633 16.015 1.00 0.00 N ATOM 650 NH2 ARG A 42 -7.082 -12.574 16.518 1.00 0.00 N ATOM 0 H ARG A 42 -2.381 -9.361 10.886 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.351 -11.281 10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.726 -9.312 12.551 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.886 -8.385 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.288 -9.171 13.257 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.459 -10.482 12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.785 -11.816 13.299 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.436 -10.482 14.381 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.239 -11.099 14.521 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.063 -12.352 15.422 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.682 -13.244 16.816 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.026 -12.247 16.313 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.916 -13.185 17.318 1.00 0.00 H new ATOM 664 N ALA A 43 -5.294 -8.669 9.122 1.00 0.00 N ATOM 665 CA ALA A 43 -6.202 -8.249 8.061 1.00 0.00 C ATOM 666 C ALA A 43 -6.211 -9.257 6.917 1.00 0.00 C ATOM 667 O ALA A 43 -7.273 -9.657 6.438 1.00 0.00 O ATOM 668 CB ALA A 43 -5.813 -6.870 7.549 1.00 0.00 C ATOM 0 H ALA A 43 -4.685 -7.930 9.473 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.209 -8.200 8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.499 -6.569 6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.864 -6.151 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.797 -6.901 7.156 1.00 0.00 H new ATOM 674 N PHE A 44 -5.023 -9.664 6.483 1.00 0.00 N ATOM 675 CA PHE A 44 -4.895 -10.624 5.393 1.00 0.00 C ATOM 676 C PHE A 44 -5.604 -11.931 5.734 1.00 0.00 C ATOM 677 O PHE A 44 -6.051 -12.657 4.846 1.00 0.00 O ATOM 678 CB PHE A 44 -3.419 -10.894 5.094 1.00 0.00 C ATOM 679 CG PHE A 44 -3.203 -11.806 3.920 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.471 -11.374 2.631 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.731 -13.096 4.106 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.273 -12.211 1.549 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.530 -13.937 3.028 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.802 -13.494 1.748 1.00 0.00 C ATOM 0 H PHE A 44 -4.135 -9.344 6.869 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.365 -10.196 4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.915 -9.946 4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.952 -11.333 5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.839 -10.371 2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.518 -13.448 5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.486 -11.862 0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.161 -14.940 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.647 -14.150 0.904 1.00 0.00 H new ATOM 694 N TRP A 45 -5.702 -12.224 7.026 1.00 0.00 N ATOM 695 CA TRP A 45 -6.356 -13.445 7.485 1.00 0.00 C ATOM 696 C TRP A 45 -7.833 -13.196 7.771 1.00 0.00 C ATOM 697 O TRP A 45 -8.652 -14.110 7.685 1.00 0.00 O ATOM 698 CB TRP A 45 -5.663 -13.977 8.740 1.00 0.00 C ATOM 699 CG TRP A 45 -4.168 -13.993 8.632 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.430 -14.044 7.485 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.231 -13.958 9.714 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.089 -14.044 7.788 1.00 0.00 N ATOM 703 CE2 TRP A 45 -1.941 -13.990 9.148 1.00 0.00 C ATOM 704 CE3 TRP A 45 -3.355 -13.901 11.105 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -0.786 -13.969 9.927 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -2.208 -13.880 11.876 1.00 0.00 C ATOM 707 CH2 TRP A 45 -0.938 -13.913 11.286 1.00 0.00 C ATOM 0 H TRP A 45 -5.337 -11.634 7.774 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.279 -14.190 6.693 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -5.952 -13.364 9.593 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.016 -14.988 8.940 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.839 -14.079 6.486 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.328 -14.079 7.110 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.330 -13.874 11.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.194 -13.996 9.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.292 -13.837 12.952 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.061 -13.894 11.916 1.00 0.00 H new ATOM 718 N GLU A 46 -8.165 -11.955 8.111 1.00 0.00 N ATOM 719 CA GLU A 46 -9.544 -11.588 8.410 1.00 0.00 C ATOM 720 C GLU A 46 -10.199 -10.911 7.210 1.00 0.00 C ATOM 721 O GLU A 46 -11.357 -10.498 7.272 1.00 0.00 O ATOM 722 CB GLU A 46 -9.596 -10.660 9.625 1.00 0.00 C ATOM 723 CG GLU A 46 -9.228 -11.344 10.930 1.00 0.00 C ATOM 724 CD GLU A 46 -10.397 -12.083 11.552 1.00 0.00 C ATOM 725 OE1 GLU A 46 -10.776 -13.148 11.020 1.00 0.00 O ATOM 726 OE2 GLU A 46 -10.932 -11.597 12.570 1.00 0.00 O ATOM 0 H GLU A 46 -7.498 -11.187 8.186 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.095 -12.501 8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.919 -9.822 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.600 -10.246 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.413 -12.046 10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.858 -10.599 11.634 1.00 0.00 H new ATOM 733 N SER A 47 -9.450 -10.801 6.118 1.00 0.00 N ATOM 734 CA SER A 47 -9.956 -10.170 4.904 1.00 0.00 C ATOM 735 C SER A 47 -9.601 -10.999 3.673 1.00 0.00 C ATOM 736 O SER A 47 -8.653 -11.784 3.691 1.00 0.00 O ATOM 737 CB SER A 47 -9.386 -8.758 4.763 1.00 0.00 C ATOM 738 OG SER A 47 -9.731 -7.954 5.878 1.00 0.00 O ATOM 0 H SER A 47 -8.491 -11.140 6.048 1.00 0.00 H new ATOM 0 HA SER A 47 -11.042 -10.110 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.301 -8.808 4.669 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.764 -8.299 3.849 1.00 0.00 H new ATOM 0 HG SER A 47 -10.437 -7.325 5.622 1.00 0.00 H new ATOM 744 N SER A 48 -10.371 -10.819 2.604 1.00 0.00 N ATOM 745 CA SER A 48 -10.142 -11.552 1.365 1.00 0.00 C ATOM 746 C SER A 48 -8.840 -11.110 0.704 1.00 0.00 C ATOM 747 O SER A 48 -8.069 -11.935 0.213 1.00 0.00 O ATOM 748 CB SER A 48 -11.312 -11.344 0.401 1.00 0.00 C ATOM 749 OG SER A 48 -11.486 -12.471 -0.440 1.00 0.00 O ATOM 0 H SER A 48 -11.159 -10.172 2.572 1.00 0.00 H new ATOM 0 HA SER A 48 -10.064 -12.612 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.226 -11.164 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.133 -10.457 -0.207 1.00 0.00 H new ATOM 0 HG SER A 48 -12.241 -12.314 -1.045 1.00 0.00 H new ATOM 755 N ILE A 49 -8.602 -9.802 0.697 1.00 0.00 N ATOM 756 CA ILE A 49 -7.393 -9.250 0.098 1.00 0.00 C ATOM 757 C ILE A 49 -6.878 -8.059 0.899 1.00 0.00 C ATOM 758 O ILE A 49 -7.582 -7.519 1.753 1.00 0.00 O ATOM 759 CB ILE A 49 -7.637 -8.808 -1.357 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.412 -9.886 -2.117 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.315 -8.512 -2.049 1.00 0.00 C ATOM 762 CD1 ILE A 49 -9.000 -9.400 -3.423 1.00 0.00 C ATOM 0 H ILE A 49 -9.230 -9.106 1.099 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.645 -10.043 0.108 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.233 -7.896 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.748 -10.726 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.216 -10.259 -1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.504 -8.201 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.797 -7.714 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.696 -9.409 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.535 -10.217 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.690 -8.579 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.199 -9.053 -4.076 1.00 0.00 H new ATOM 774 N VAL A 50 -5.644 -7.653 0.618 1.00 0.00 N ATOM 775 CA VAL A 50 -5.034 -6.523 1.310 1.00 0.00 C ATOM 776 C VAL A 50 -4.333 -5.591 0.328 1.00 0.00 C ATOM 777 O VAL A 50 -3.227 -5.876 -0.132 1.00 0.00 O ATOM 778 CB VAL A 50 -4.019 -6.995 2.368 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.311 -5.805 2.996 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.709 -7.837 3.430 1.00 0.00 C ATOM 0 H VAL A 50 -5.047 -8.090 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.840 -5.983 1.806 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.270 -7.615 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.598 -6.158 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.782 -5.247 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.045 -5.156 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.977 -8.162 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.481 -7.244 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.165 -8.710 2.963 1.00 0.00 H new ATOM 790 N TYR A 51 -4.983 -4.476 0.013 1.00 0.00 N ATOM 791 CA TYR A 51 -4.422 -3.502 -0.916 1.00 0.00 C ATOM 792 C TYR A 51 -3.434 -2.580 -0.208 1.00 0.00 C ATOM 793 O TYR A 51 -3.769 -1.940 0.790 1.00 0.00 O ATOM 794 CB TYR A 51 -5.539 -2.675 -1.556 1.00 0.00 C ATOM 795 CG TYR A 51 -6.299 -3.415 -2.633 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.631 -4.023 -3.689 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.685 -3.507 -2.595 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.322 -4.700 -4.676 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.383 -4.183 -3.577 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.697 -4.777 -4.616 1.00 0.00 C ATOM 801 OH TYR A 51 -8.389 -5.451 -5.596 1.00 0.00 O ATOM 0 H TYR A 51 -5.898 -4.224 0.387 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.889 -4.046 -1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.238 -2.361 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.110 -1.769 -1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.554 -3.966 -3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.226 -3.042 -1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.787 -5.166 -5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.460 -4.246 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.349 -5.412 -5.404 1.00 0.00 H new ATOM 811 N LEU A 52 -2.215 -2.518 -0.731 1.00 0.00 N ATOM 812 CA LEU A 52 -1.175 -1.674 -0.152 1.00 0.00 C ATOM 813 C LEU A 52 -0.663 -0.663 -1.172 1.00 0.00 C ATOM 814 O LEU A 52 0.072 -1.015 -2.095 1.00 0.00 O ATOM 815 CB LEU A 52 -0.017 -2.535 0.357 1.00 0.00 C ATOM 816 CG LEU A 52 -0.406 -3.769 1.172 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.738 -4.771 1.200 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.805 -3.372 2.585 1.00 0.00 C ATOM 0 H LEU A 52 -1.922 -3.042 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.609 -1.128 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.571 -2.861 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.633 -1.910 0.970 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.264 -4.241 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.444 -5.643 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.976 -5.080 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.615 -4.309 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.079 -4.263 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.033 -2.876 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.656 -2.692 2.545 1.00 0.00 H new ATOM 830 N VAL A 53 -1.053 0.596 -0.998 1.00 0.00 N ATOM 831 CA VAL A 53 -0.630 1.659 -1.901 1.00 0.00 C ATOM 832 C VAL A 53 0.776 2.140 -1.563 1.00 0.00 C ATOM 833 O VAL A 53 0.988 2.814 -0.555 1.00 0.00 O ATOM 834 CB VAL A 53 -1.597 2.857 -1.849 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.124 3.966 -2.776 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.009 2.418 -2.206 1.00 0.00 C ATOM 0 H VAL A 53 -1.661 0.904 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.635 1.240 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.609 3.248 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.820 4.804 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.133 4.299 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.080 3.591 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.679 3.277 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.017 2.001 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.345 1.661 -1.497 1.00 0.00 H new ATOM 846 N PHE A 54 1.735 1.790 -2.414 1.00 0.00 N ATOM 847 CA PHE A 54 3.124 2.186 -2.206 1.00 0.00 C ATOM 848 C PHE A 54 3.385 3.576 -2.779 1.00 0.00 C ATOM 849 O PHE A 54 2.825 3.949 -3.810 1.00 0.00 O ATOM 850 CB PHE A 54 4.068 1.170 -2.852 1.00 0.00 C ATOM 851 CG PHE A 54 3.978 -0.202 -2.246 1.00 0.00 C ATOM 852 CD1 PHE A 54 2.979 -1.080 -2.632 1.00 0.00 C ATOM 853 CD2 PHE A 54 4.893 -0.612 -1.290 1.00 0.00 C ATOM 854 CE1 PHE A 54 2.893 -2.343 -2.077 1.00 0.00 C ATOM 855 CE2 PHE A 54 4.813 -1.874 -0.731 1.00 0.00 C ATOM 856 CZ PHE A 54 3.811 -2.740 -1.124 1.00 0.00 C ATOM 0 H PHE A 54 1.576 1.233 -3.254 1.00 0.00 H new ATOM 0 HA PHE A 54 3.311 2.214 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.844 1.104 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.093 1.531 -2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.258 -0.774 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.677 0.062 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.110 -3.018 -2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.533 -2.183 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.745 -3.725 -0.687 1.00 0.00 H new ATOM 866 N SER A 55 4.238 4.337 -2.102 1.00 0.00 N ATOM 867 CA SER A 55 4.571 5.688 -2.541 1.00 0.00 C ATOM 868 C SER A 55 5.956 6.094 -2.046 1.00 0.00 C ATOM 869 O SER A 55 6.322 5.826 -0.901 1.00 0.00 O ATOM 870 CB SER A 55 3.524 6.683 -2.036 1.00 0.00 C ATOM 871 OG SER A 55 3.664 7.939 -2.678 1.00 0.00 O ATOM 0 H SER A 55 4.711 4.042 -1.248 1.00 0.00 H new ATOM 0 HA SER A 55 4.576 5.699 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.525 6.288 -2.217 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.627 6.808 -0.958 1.00 0.00 H new ATOM 0 HG SER A 55 3.729 7.806 -3.647 1.00 0.00 H new ATOM 877 N VAL A 56 6.722 6.743 -2.917 1.00 0.00 N ATOM 878 CA VAL A 56 8.067 7.188 -2.569 1.00 0.00 C ATOM 879 C VAL A 56 8.043 8.588 -1.968 1.00 0.00 C ATOM 880 O VAL A 56 7.544 9.530 -2.583 1.00 0.00 O ATOM 881 CB VAL A 56 8.994 7.184 -3.799 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.261 7.976 -3.514 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.328 5.758 -4.210 1.00 0.00 C ATOM 0 H VAL A 56 6.435 6.972 -3.868 1.00 0.00 H new ATOM 0 HA VAL A 56 8.453 6.486 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 56 8.472 7.663 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.904 7.962 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.999 9.006 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.789 7.528 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.984 5.774 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.830 5.250 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.409 5.226 -4.458 1.00 0.00 H new ATOM 893 N GLN A 57 8.588 8.717 -0.762 1.00 0.00 N ATOM 894 CA GLN A 57 8.629 10.004 -0.077 1.00 0.00 C ATOM 895 C GLN A 57 8.980 11.126 -1.048 1.00 0.00 C ATOM 896 O GLN A 57 8.283 12.138 -1.121 1.00 0.00 O ATOM 897 CB GLN A 57 9.646 9.965 1.065 1.00 0.00 C ATOM 898 CG GLN A 57 10.032 11.341 1.583 1.00 0.00 C ATOM 899 CD GLN A 57 10.408 11.328 3.051 1.00 0.00 C ATOM 900 OE1 GLN A 57 9.744 10.688 3.868 1.00 0.00 O ATOM 901 NE2 GLN A 57 11.477 12.035 3.396 1.00 0.00 N ATOM 0 H GLN A 57 9.007 7.947 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 57 7.639 10.201 0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.235 9.379 1.887 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.544 9.449 0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.871 11.722 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.200 12.029 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.998 12.551 2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.777 12.063 4.370 1.00 0.00 H new ATOM 910 N GLY A 58 10.065 10.941 -1.793 1.00 0.00 N ATOM 911 CA GLY A 58 10.490 11.946 -2.749 1.00 0.00 C ATOM 912 C GLY A 58 9.441 12.218 -3.809 1.00 0.00 C ATOM 913 O GLY A 58 8.663 13.164 -3.694 1.00 0.00 O ATOM 0 H GLY A 58 10.658 10.112 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.717 12.872 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.412 11.619 -3.230 1.00 0.00 H new ATOM 917 N SER A 59 9.421 11.386 -4.846 1.00 0.00 N ATOM 918 CA SER A 59 8.463 11.545 -5.934 1.00 0.00 C ATOM 919 C SER A 59 7.100 11.975 -5.400 1.00 0.00 C ATOM 920 O SER A 59 6.602 11.421 -4.421 1.00 0.00 O ATOM 921 CB SER A 59 8.327 10.237 -6.717 1.00 0.00 C ATOM 922 OG SER A 59 9.269 10.176 -7.774 1.00 0.00 O ATOM 0 H SER A 59 10.057 10.596 -4.955 1.00 0.00 H new ATOM 0 HA SER A 59 8.834 12.323 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.473 9.391 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.318 10.154 -7.120 1.00 0.00 H new ATOM 0 HG SER A 59 9.163 9.330 -8.258 1.00 0.00 H new ATOM 928 N GLY A 60 6.502 12.967 -6.052 1.00 0.00 N ATOM 929 CA GLY A 60 5.203 13.456 -5.629 1.00 0.00 C ATOM 930 C GLY A 60 4.060 12.694 -6.271 1.00 0.00 C ATOM 931 O GLY A 60 2.977 13.243 -6.479 1.00 0.00 O ATOM 0 H GLY A 60 6.894 13.441 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.124 13.378 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.117 14.513 -5.879 1.00 0.00 H new ATOM 935 N HIS A 61 4.300 11.425 -6.587 1.00 0.00 N ATOM 936 CA HIS A 61 3.282 10.587 -7.210 1.00 0.00 C ATOM 937 C HIS A 61 3.144 9.260 -6.470 1.00 0.00 C ATOM 938 O HIS A 61 3.957 8.931 -5.606 1.00 0.00 O ATOM 939 CB HIS A 61 3.629 10.332 -8.677 1.00 0.00 C ATOM 940 CG HIS A 61 3.248 11.458 -9.587 1.00 0.00 C ATOM 941 ND1 HIS A 61 3.628 12.765 -9.367 1.00 0.00 N ATOM 942 CD2 HIS A 61 2.517 11.468 -10.726 1.00 0.00 C ATOM 943 CE1 HIS A 61 3.146 13.530 -10.330 1.00 0.00 C ATOM 944 NE2 HIS A 61 2.468 12.767 -11.168 1.00 0.00 N ATOM 0 H HIS A 61 5.190 10.955 -6.422 1.00 0.00 H new ATOM 0 HA HIS A 61 2.330 11.114 -7.156 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.701 10.154 -8.762 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.127 9.423 -9.008 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.058 10.613 -11.199 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.283 14.598 -10.417 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.986 13.090 -12.007 1.00 0.00 H new ATOM 952 N PHE A 62 2.108 8.501 -6.813 1.00 0.00 N ATOM 953 CA PHE A 62 1.862 7.211 -6.180 1.00 0.00 C ATOM 954 C PHE A 62 2.522 6.083 -6.969 1.00 0.00 C ATOM 955 O PHE A 62 2.062 5.718 -8.051 1.00 0.00 O ATOM 956 CB PHE A 62 0.358 6.954 -6.064 1.00 0.00 C ATOM 957 CG PHE A 62 -0.267 7.591 -4.855 1.00 0.00 C ATOM 958 CD1 PHE A 62 0.046 7.144 -3.581 1.00 0.00 C ATOM 959 CD2 PHE A 62 -1.166 8.635 -4.993 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.527 7.728 -2.467 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.742 9.223 -3.882 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.423 8.768 -2.618 1.00 0.00 C ATOM 0 H PHE A 62 1.425 8.758 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 62 2.298 7.236 -5.181 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.137 7.330 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.183 5.879 -6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.745 6.330 -3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.420 8.994 -5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.274 7.371 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.441 10.038 -4.003 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.873 9.225 -1.749 1.00 0.00 H new ATOM 972 N GLN A 63 3.602 5.538 -6.419 1.00 0.00 N ATOM 973 CA GLN A 63 4.326 4.453 -7.071 1.00 0.00 C ATOM 974 C GLN A 63 3.367 3.366 -7.545 1.00 0.00 C ATOM 975 O GLN A 63 3.703 2.562 -8.413 1.00 0.00 O ATOM 976 CB GLN A 63 5.361 3.856 -6.117 1.00 0.00 C ATOM 977 CG GLN A 63 6.503 4.804 -5.788 1.00 0.00 C ATOM 978 CD GLN A 63 6.820 5.753 -6.927 1.00 0.00 C ATOM 979 OE1 GLN A 63 6.627 6.964 -6.813 1.00 0.00 O ATOM 980 NE2 GLN A 63 7.310 5.207 -8.034 1.00 0.00 N ATOM 0 H GLN A 63 3.995 5.830 -5.524 1.00 0.00 H new ATOM 0 HA GLN A 63 4.839 4.864 -7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.864 3.564 -5.192 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.770 2.948 -6.560 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.246 5.381 -4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.393 4.224 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.454 4.198 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.543 5.796 -8.834 1.00 0.00 H new ATOM 989 N GLY A 64 2.170 3.347 -6.966 1.00 0.00 N ATOM 990 CA GLY A 64 1.180 2.353 -7.342 1.00 0.00 C ATOM 991 C GLY A 64 0.602 1.629 -6.142 1.00 0.00 C ATOM 992 O GLY A 64 0.562 2.174 -5.039 1.00 0.00 O ATOM 0 H GLY A 64 1.868 4.001 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.374 2.838 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.636 1.627 -8.016 1.00 0.00 H new ATOM 996 N PHE A 65 0.150 0.398 -6.358 1.00 0.00 N ATOM 997 CA PHE A 65 -0.432 -0.401 -5.286 1.00 0.00 C ATOM 998 C PHE A 65 -0.312 -1.891 -5.591 1.00 0.00 C ATOM 999 O PHE A 65 -0.265 -2.296 -6.753 1.00 0.00 O ATOM 1000 CB PHE A 65 -1.902 -0.027 -5.083 1.00 0.00 C ATOM 1001 CG PHE A 65 -2.826 -0.669 -6.078 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.381 -1.913 -5.826 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.140 -0.027 -7.265 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -4.232 -2.506 -6.740 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -3.991 -0.615 -8.182 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.536 -1.856 -7.920 1.00 0.00 C ATOM 0 H PHE A 65 0.176 -0.068 -7.265 1.00 0.00 H new ATOM 0 HA PHE A 65 0.119 -0.190 -4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.207 -0.316 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.006 1.056 -5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.146 -2.426 -4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.715 0.943 -7.476 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.658 -3.476 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.229 -0.104 -9.103 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.199 -2.318 -8.637 1.00 0.00 H new ATOM 1016 N SER A 66 -0.262 -2.703 -4.540 1.00 0.00 N ATOM 1017 CA SER A 66 -0.142 -4.148 -4.694 1.00 0.00 C ATOM 1018 C SER A 66 -0.923 -4.877 -3.605 1.00 0.00 C ATOM 1019 O SER A 66 -0.864 -4.509 -2.432 1.00 0.00 O ATOM 1020 CB SER A 66 1.328 -4.567 -4.651 1.00 0.00 C ATOM 1021 OG SER A 66 2.145 -3.632 -5.334 1.00 0.00 O ATOM 0 H SER A 66 -0.303 -2.384 -3.572 1.00 0.00 H new ATOM 0 HA SER A 66 -0.561 -4.421 -5.662 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.655 -4.652 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.442 -5.552 -5.103 1.00 0.00 H new ATOM 0 HG SER A 66 2.668 -4.095 -6.022 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.655 -5.912 -4.003 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.449 -6.693 -3.063 1.00 0.00 C ATOM 1029 C ARG A 67 -1.615 -7.811 -2.444 1.00 0.00 C ATOM 1030 O ARG A 67 -1.026 -8.626 -3.155 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.674 -7.284 -3.764 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.331 -8.129 -4.980 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.570 -8.780 -5.573 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.237 -9.925 -6.417 1.00 0.00 N ATOM 1035 CZ ARG A 67 -5.126 -10.827 -6.817 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -6.396 -10.718 -6.451 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.745 -11.841 -7.583 1.00 0.00 N ATOM 0 H ARG A 67 -1.715 -6.229 -4.971 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.781 -6.027 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.230 -7.895 -3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.334 -6.472 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.850 -7.506 -5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.613 -8.899 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.230 -9.103 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.120 -8.045 -6.160 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.268 -10.038 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.692 -9.940 -5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.077 -11.412 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.769 -11.928 -7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.428 -12.533 -7.890 1.00 0.00 H new ATOM 1051 N MET A 68 -1.569 -7.843 -1.116 1.00 0.00 N ATOM 1052 CA MET A 68 -0.808 -8.861 -0.402 1.00 0.00 C ATOM 1053 C MET A 68 -1.145 -10.256 -0.921 1.00 0.00 C ATOM 1054 O MET A 68 -2.315 -10.595 -1.101 1.00 0.00 O ATOM 1055 CB MET A 68 -1.090 -8.781 1.099 1.00 0.00 C ATOM 1056 CG MET A 68 0.069 -9.254 1.962 1.00 0.00 C ATOM 1057 SD MET A 68 0.133 -8.419 3.558 1.00 0.00 S ATOM 1058 CE MET A 68 0.277 -9.818 4.667 1.00 0.00 C ATOM 0 H MET A 68 -2.050 -7.176 -0.513 1.00 0.00 H new ATOM 0 HA MET A 68 0.252 -8.674 -0.575 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.330 -7.750 1.361 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.971 -9.381 1.327 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.017 -10.329 2.122 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.005 -9.085 1.430 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.274 -9.466 5.699 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.564 -10.494 4.511 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.209 -10.347 4.467 1.00 0.00 H new ATOM 1068 N SER A 69 -0.114 -11.060 -1.159 1.00 0.00 N ATOM 1069 CA SER A 69 -0.302 -12.416 -1.660 1.00 0.00 C ATOM 1070 C SER A 69 0.100 -13.445 -0.608 1.00 0.00 C ATOM 1071 O SER A 69 -0.402 -14.569 -0.600 1.00 0.00 O ATOM 1072 CB SER A 69 0.516 -12.628 -2.936 1.00 0.00 C ATOM 1073 OG SER A 69 0.338 -13.939 -3.444 1.00 0.00 O ATOM 0 H SER A 69 0.860 -10.796 -1.013 1.00 0.00 H new ATOM 0 HA SER A 69 -1.360 -12.550 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.216 -11.899 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.572 -12.456 -2.728 1.00 0.00 H new ATOM 0 HG SER A 69 0.870 -14.049 -4.260 1.00 0.00 H new ATOM 1079 N SER A 70 1.009 -13.052 0.278 1.00 0.00 N ATOM 1080 CA SER A 70 1.483 -13.940 1.333 1.00 0.00 C ATOM 1081 C SER A 70 1.605 -13.193 2.658 1.00 0.00 C ATOM 1082 O SER A 70 1.707 -11.967 2.684 1.00 0.00 O ATOM 1083 CB SER A 70 2.833 -14.547 0.950 1.00 0.00 C ATOM 1084 OG SER A 70 3.069 -15.753 1.656 1.00 0.00 O ATOM 0 H SER A 70 1.432 -12.124 0.286 1.00 0.00 H new ATOM 0 HA SER A 70 0.754 -14.742 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.858 -14.739 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.630 -13.835 1.165 1.00 0.00 H new ATOM 0 HG SER A 70 3.938 -16.122 1.392 1.00 0.00 H new ATOM 1090 N GLU A 71 1.595 -13.942 3.756 1.00 0.00 N ATOM 1091 CA GLU A 71 1.704 -13.351 5.085 1.00 0.00 C ATOM 1092 C GLU A 71 3.137 -12.907 5.366 1.00 0.00 C ATOM 1093 O GLU A 71 4.043 -13.158 4.572 1.00 0.00 O ATOM 1094 CB GLU A 71 1.249 -14.350 6.150 1.00 0.00 C ATOM 1095 CG GLU A 71 2.051 -15.640 6.158 1.00 0.00 C ATOM 1096 CD GLU A 71 1.256 -16.819 6.686 1.00 0.00 C ATOM 1097 OE1 GLU A 71 0.269 -17.209 6.028 1.00 0.00 O ATOM 1098 OE2 GLU A 71 1.620 -17.350 7.755 1.00 0.00 O ATOM 0 H GLU A 71 1.513 -14.959 3.752 1.00 0.00 H new ATOM 0 HA GLU A 71 1.057 -12.475 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.322 -13.881 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.198 -14.587 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.389 -15.859 5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.943 -15.505 6.770 1.00 0.00 H new ATOM 1105 N ILE A 72 3.332 -12.247 6.502 1.00 0.00 N ATOM 1106 CA ILE A 72 4.654 -11.769 6.890 1.00 0.00 C ATOM 1107 C ILE A 72 5.339 -12.751 7.834 1.00 0.00 C ATOM 1108 O ILE A 72 4.733 -13.236 8.788 1.00 0.00 O ATOM 1109 CB ILE A 72 4.576 -10.389 7.570 1.00 0.00 C ATOM 1110 CG1 ILE A 72 3.713 -9.435 6.742 1.00 0.00 C ATOM 1111 CG2 ILE A 72 5.972 -9.815 7.764 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.633 -8.038 7.316 1.00 0.00 C ATOM 0 H ILE A 72 2.592 -12.031 7.170 1.00 0.00 H new ATOM 0 HA ILE A 72 5.239 -11.681 5.975 1.00 0.00 H new ATOM 0 HB ILE A 72 4.113 -10.509 8.550 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.115 -9.381 5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.706 -9.845 6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.901 -8.840 8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.558 -10.487 8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.459 -9.706 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.005 -7.417 6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.203 -8.080 8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.633 -7.608 7.369 1.00 0.00 H new ATOM 1124 N GLY A 73 6.608 -13.038 7.561 1.00 0.00 N ATOM 1125 CA GLY A 73 7.356 -13.960 8.396 1.00 0.00 C ATOM 1126 C GLY A 73 8.016 -15.064 7.594 1.00 0.00 C ATOM 1127 O GLY A 73 9.156 -14.923 7.152 1.00 0.00 O ATOM 0 H GLY A 73 7.131 -12.649 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.119 -13.410 8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.687 -14.402 9.134 1.00 0.00 H new ATOM 1131 N ARG A 74 7.298 -16.167 7.407 1.00 0.00 N ATOM 1132 CA ARG A 74 7.822 -17.301 6.655 1.00 0.00 C ATOM 1133 C ARG A 74 8.648 -16.828 5.463 1.00 0.00 C ATOM 1134 O ARG A 74 9.678 -17.417 5.137 1.00 0.00 O ATOM 1135 CB ARG A 74 6.677 -18.194 6.174 1.00 0.00 C ATOM 1136 CG ARG A 74 7.135 -19.554 5.672 1.00 0.00 C ATOM 1137 CD ARG A 74 5.995 -20.560 5.671 1.00 0.00 C ATOM 1138 NE ARG A 74 6.269 -21.697 4.796 1.00 0.00 N ATOM 1139 CZ ARG A 74 7.082 -22.695 5.120 1.00 0.00 C ATOM 1140 NH1 ARG A 74 7.698 -22.698 6.295 1.00 0.00 N ATOM 1141 NH2 ARG A 74 7.280 -23.694 4.270 1.00 0.00 N ATOM 0 H ARG A 74 6.352 -16.299 7.766 1.00 0.00 H new ATOM 0 HA ARG A 74 8.469 -17.876 7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.971 -18.337 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.140 -17.683 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.535 -19.455 4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.945 -19.921 6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.826 -20.917 6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.077 -20.068 5.349 1.00 0.00 H new ATOM 0 HE ARG A 74 5.810 -21.726 3.885 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.547 -21.932 6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.322 -23.466 6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.807 -23.696 3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.905 -24.460 4.520 1.00 0.00 H new ATOM 1155 N GLU A 75 8.189 -15.761 4.817 1.00 0.00 N ATOM 1156 CA GLU A 75 8.885 -15.211 3.660 1.00 0.00 C ATOM 1157 C GLU A 75 10.060 -14.340 4.096 1.00 0.00 C ATOM 1158 O GLU A 75 9.915 -13.461 4.946 1.00 0.00 O ATOM 1159 CB GLU A 75 7.921 -14.392 2.799 1.00 0.00 C ATOM 1160 CG GLU A 75 7.210 -15.211 1.735 1.00 0.00 C ATOM 1161 CD GLU A 75 8.171 -15.848 0.750 1.00 0.00 C ATOM 1162 OE1 GLU A 75 8.960 -15.108 0.126 1.00 0.00 O ATOM 1163 OE2 GLU A 75 8.133 -17.088 0.603 1.00 0.00 O ATOM 0 H GLU A 75 7.339 -15.260 5.075 1.00 0.00 H new ATOM 0 HA GLU A 75 9.270 -16.043 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.177 -13.926 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.474 -13.586 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.619 -15.990 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.513 -14.571 1.194 1.00 0.00 H new ATOM 1170 N LYS A 76 11.225 -14.591 3.508 1.00 0.00 N ATOM 1171 CA LYS A 76 12.426 -13.832 3.833 1.00 0.00 C ATOM 1172 C LYS A 76 13.238 -13.534 2.577 1.00 0.00 C ATOM 1173 O LYS A 76 13.275 -14.337 1.645 1.00 0.00 O ATOM 1174 CB LYS A 76 13.286 -14.603 4.838 1.00 0.00 C ATOM 1175 CG LYS A 76 12.951 -14.294 6.287 1.00 0.00 C ATOM 1176 CD LYS A 76 13.625 -13.015 6.755 1.00 0.00 C ATOM 1177 CE LYS A 76 12.828 -12.336 7.857 1.00 0.00 C ATOM 1178 NZ LYS A 76 13.686 -11.465 8.707 1.00 0.00 N ATOM 0 H LYS A 76 11.362 -15.315 2.803 1.00 0.00 H new ATOM 0 HA LYS A 76 12.118 -12.886 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.162 -15.672 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.336 -14.371 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.871 -14.199 6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.266 -15.124 6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.628 -13.242 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.737 -12.333 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.031 -11.739 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.350 -13.093 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.105 -11.020 9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.431 -12.039 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.122 -10.727 8.119 1.00 0.00 H new ATOM 1192 N SER A 77 13.889 -12.375 2.559 1.00 0.00 N ATOM 1193 CA SER A 77 14.699 -11.970 1.416 1.00 0.00 C ATOM 1194 C SER A 77 16.054 -11.439 1.872 1.00 0.00 C ATOM 1195 O SER A 77 16.323 -11.339 3.069 1.00 0.00 O ATOM 1196 CB SER A 77 13.968 -10.903 0.599 1.00 0.00 C ATOM 1197 OG SER A 77 14.475 -10.837 -0.723 1.00 0.00 O ATOM 0 H SER A 77 13.871 -11.700 3.323 1.00 0.00 H new ATOM 0 HA SER A 77 14.864 -12.847 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.902 -11.128 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.077 -9.932 1.083 1.00 0.00 H new ATOM 0 HG SER A 77 13.990 -10.149 -1.225 1.00 0.00 H new ATOM 1203 N GLN A 78 16.904 -11.100 0.908 1.00 0.00 N ATOM 1204 CA GLN A 78 18.233 -10.579 1.209 1.00 0.00 C ATOM 1205 C GLN A 78 18.393 -9.158 0.680 1.00 0.00 C ATOM 1206 O GLN A 78 18.559 -8.213 1.452 1.00 0.00 O ATOM 1207 CB GLN A 78 19.308 -11.485 0.606 1.00 0.00 C ATOM 1208 CG GLN A 78 20.707 -11.198 1.125 1.00 0.00 C ATOM 1209 CD GLN A 78 20.872 -11.557 2.589 1.00 0.00 C ATOM 1210 OE1 GLN A 78 20.656 -10.726 3.472 1.00 0.00 O ATOM 1211 NE2 GLN A 78 21.256 -12.800 2.854 1.00 0.00 N ATOM 0 H GLN A 78 16.696 -11.177 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 78 18.351 -10.559 2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.057 -12.524 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 78 19.301 -11.371 -0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 78 21.432 -11.758 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 78 20.932 -10.140 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 78 21.424 -13.456 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 78 21.383 -13.099 3.821 1.00 0.00 H new ATOM 1220 N ASP A 79 18.344 -9.014 -0.639 1.00 0.00 N ATOM 1221 CA ASP A 79 18.483 -7.708 -1.272 1.00 0.00 C ATOM 1222 C ASP A 79 17.542 -6.691 -0.632 1.00 0.00 C ATOM 1223 O ASP A 79 16.332 -6.904 -0.571 1.00 0.00 O ATOM 1224 CB ASP A 79 18.200 -7.810 -2.771 1.00 0.00 C ATOM 1225 CG ASP A 79 19.371 -8.384 -3.544 1.00 0.00 C ATOM 1226 OD1 ASP A 79 19.745 -9.546 -3.279 1.00 0.00 O ATOM 1227 OD2 ASP A 79 19.914 -7.672 -4.414 1.00 0.00 O ATOM 0 H ASP A 79 18.209 -9.786 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 79 19.509 -7.369 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.322 -8.436 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.961 -6.820 -3.161 1.00 0.00 H new ATOM 1232 N TRP A 80 18.108 -5.587 -0.157 1.00 0.00 N ATOM 1233 CA TRP A 80 17.319 -4.538 0.479 1.00 0.00 C ATOM 1234 C TRP A 80 18.167 -3.296 0.729 1.00 0.00 C ATOM 1235 O TRP A 80 19.395 -3.363 0.741 1.00 0.00 O ATOM 1236 CB TRP A 80 16.731 -5.043 1.798 1.00 0.00 C ATOM 1237 CG TRP A 80 15.455 -5.810 1.624 1.00 0.00 C ATOM 1238 CD1 TRP A 80 15.178 -7.058 2.105 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.286 -5.380 0.919 1.00 0.00 C ATOM 1240 NE1 TRP A 80 13.906 -7.430 1.741 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.338 -6.418 1.014 1.00 0.00 C ATOM 1242 CE3 TRP A 80 13.946 -4.220 0.219 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.075 -6.327 0.433 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.693 -4.132 -0.357 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.770 -5.180 -0.247 1.00 0.00 C ATOM 0 H TRP A 80 19.109 -5.395 -0.200 1.00 0.00 H new ATOM 0 HA TRP A 80 16.505 -4.270 -0.195 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.464 -5.679 2.295 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.549 -4.193 2.456 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.858 -7.663 2.686 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.458 -8.316 1.974 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.650 -3.406 0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.362 -7.134 0.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.421 -3.240 -0.901 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.798 -5.080 -0.708 1.00 0.00 H new ATOM 1256 N GLY A 81 17.502 -2.161 0.927 1.00 0.00 N ATOM 1257 CA GLY A 81 18.212 -0.919 1.174 1.00 0.00 C ATOM 1258 C GLY A 81 18.391 -0.638 2.652 1.00 0.00 C ATOM 1259 O GLY A 81 19.446 -0.166 3.078 1.00 0.00 O ATOM 0 H GLY A 81 16.485 -2.080 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.190 -0.962 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.667 -0.095 0.714 1.00 0.00 H new ATOM 1263 N SER A 82 17.359 -0.927 3.438 1.00 0.00 N ATOM 1264 CA SER A 82 17.405 -0.696 4.877 1.00 0.00 C ATOM 1265 C SER A 82 17.464 -2.018 5.637 1.00 0.00 C ATOM 1266 O SER A 82 16.489 -2.768 5.676 1.00 0.00 O ATOM 1267 CB SER A 82 16.184 0.109 5.326 1.00 0.00 C ATOM 1268 OG SER A 82 16.127 1.360 4.663 1.00 0.00 O ATOM 0 H SER A 82 16.480 -1.322 3.102 1.00 0.00 H new ATOM 0 HA SER A 82 18.308 -0.127 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.275 -0.457 5.120 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.224 0.266 6.404 1.00 0.00 H new ATOM 0 HG SER A 82 15.337 1.855 4.966 1.00 0.00 H new ATOM 1274 N ALA A 83 18.615 -2.296 6.239 1.00 0.00 N ATOM 1275 CA ALA A 83 18.802 -3.525 7.000 1.00 0.00 C ATOM 1276 C ALA A 83 17.796 -3.623 8.142 1.00 0.00 C ATOM 1277 O ALA A 83 17.374 -4.715 8.520 1.00 0.00 O ATOM 1278 CB ALA A 83 20.223 -3.602 7.538 1.00 0.00 C ATOM 0 H ALA A 83 19.433 -1.687 6.215 1.00 0.00 H new ATOM 0 HA ALA A 83 18.633 -4.367 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.348 -4.525 8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.928 -3.588 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.412 -2.748 8.189 1.00 0.00 H new ATOM 1284 N GLY A 84 17.415 -2.472 8.689 1.00 0.00 N ATOM 1285 CA GLY A 84 16.461 -2.450 9.783 1.00 0.00 C ATOM 1286 C GLY A 84 15.100 -2.979 9.376 1.00 0.00 C ATOM 1287 O GLY A 84 14.153 -2.210 9.204 1.00 0.00 O ATOM 0 H GLY A 84 17.750 -1.555 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.847 -3.047 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.356 -1.429 10.149 1.00 0.00 H new ATOM 1291 N LEU A 85 15.000 -4.294 9.220 1.00 0.00 N ATOM 1292 CA LEU A 85 13.744 -4.925 8.829 1.00 0.00 C ATOM 1293 C LEU A 85 13.495 -6.191 9.642 1.00 0.00 C ATOM 1294 O LEU A 85 14.389 -6.690 10.324 1.00 0.00 O ATOM 1295 CB LEU A 85 13.762 -5.259 7.336 1.00 0.00 C ATOM 1296 CG LEU A 85 13.814 -4.066 6.382 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.295 -4.503 5.007 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.448 -3.402 6.284 1.00 0.00 C ATOM 0 H LEU A 85 15.773 -4.944 9.358 1.00 0.00 H new ATOM 0 HA LEU A 85 12.935 -4.222 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.624 -5.896 7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.873 -5.845 7.105 1.00 0.00 H new ATOM 0 HG LEU A 85 14.522 -3.339 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.326 -3.641 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.293 -4.933 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.611 -5.249 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.504 -2.555 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.719 -4.122 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.141 -3.053 7.270 1.00 0.00 H new ATOM 1310 N GLY A 86 12.272 -6.707 9.564 1.00 0.00 N ATOM 1311 CA GLY A 86 11.927 -7.912 10.296 1.00 0.00 C ATOM 1312 C GLY A 86 10.579 -8.472 9.888 1.00 0.00 C ATOM 1313 O GLY A 86 9.558 -8.163 10.501 1.00 0.00 O ATOM 0 H GLY A 86 11.514 -6.312 9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.696 -8.667 10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.919 -7.695 11.364 1.00 0.00 H new ATOM 1317 N GLY A 87 10.574 -9.299 8.846 1.00 0.00 N ATOM 1318 CA GLY A 87 9.336 -9.889 8.373 1.00 0.00 C ATOM 1319 C GLY A 87 8.996 -9.467 6.957 1.00 0.00 C ATOM 1320 O GLY A 87 8.396 -8.414 6.742 1.00 0.00 O ATOM 0 H GLY A 87 11.406 -9.570 8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.415 -10.975 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.523 -9.602 9.039 1.00 0.00 H new ATOM 1324 N VAL A 88 9.382 -10.290 5.987 1.00 0.00 N ATOM 1325 CA VAL A 88 9.116 -9.996 4.584 1.00 0.00 C ATOM 1326 C VAL A 88 7.903 -10.771 4.081 1.00 0.00 C ATOM 1327 O VAL A 88 7.639 -11.889 4.525 1.00 0.00 O ATOM 1328 CB VAL A 88 10.330 -10.335 3.699 1.00 0.00 C ATOM 1329 CG1 VAL A 88 9.970 -10.206 2.227 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.509 -9.440 4.049 1.00 0.00 C ATOM 0 H VAL A 88 9.880 -11.166 6.147 1.00 0.00 H new ATOM 0 HA VAL A 88 8.915 -8.927 4.518 1.00 0.00 H new ATOM 0 HB VAL A 88 10.619 -11.369 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.840 -10.449 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.157 -10.892 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.655 -9.184 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.359 -9.693 3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.234 -8.397 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.780 -9.588 5.094 1.00 0.00 H new ATOM 1340 N PHE A 89 7.167 -10.169 3.152 1.00 0.00 N ATOM 1341 CA PHE A 89 5.980 -10.803 2.589 1.00 0.00 C ATOM 1342 C PHE A 89 5.860 -10.502 1.097 1.00 0.00 C ATOM 1343 O PHE A 89 6.469 -9.560 0.591 1.00 0.00 O ATOM 1344 CB PHE A 89 4.724 -10.323 3.320 1.00 0.00 C ATOM 1345 CG PHE A 89 4.548 -8.832 3.293 1.00 0.00 C ATOM 1346 CD1 PHE A 89 5.354 -8.011 4.064 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.575 -8.250 2.495 1.00 0.00 C ATOM 1348 CE1 PHE A 89 5.193 -6.639 4.042 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.410 -6.878 2.468 1.00 0.00 C ATOM 1350 CZ PHE A 89 4.221 -6.072 3.242 1.00 0.00 C ATOM 0 H PHE A 89 7.371 -9.244 2.774 1.00 0.00 H new ATOM 0 HA PHE A 89 6.078 -11.881 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.849 -10.792 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.767 -10.657 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.118 -8.449 4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.938 -8.876 1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.827 -6.011 4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.648 -6.437 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.095 -5.000 3.222 1.00 0.00 H new ATOM 1360 N LYS A 90 5.071 -11.311 0.399 1.00 0.00 N ATOM 1361 CA LYS A 90 4.869 -11.134 -1.034 1.00 0.00 C ATOM 1362 C LYS A 90 3.824 -10.057 -1.307 1.00 0.00 C ATOM 1363 O LYS A 90 3.101 -9.636 -0.404 1.00 0.00 O ATOM 1364 CB LYS A 90 4.435 -12.454 -1.676 1.00 0.00 C ATOM 1365 CG LYS A 90 5.596 -13.302 -2.167 1.00 0.00 C ATOM 1366 CD LYS A 90 5.125 -14.658 -2.665 1.00 0.00 C ATOM 1367 CE LYS A 90 6.241 -15.690 -2.611 1.00 0.00 C ATOM 1368 NZ LYS A 90 5.769 -17.039 -3.030 1.00 0.00 N ATOM 0 H LYS A 90 4.560 -12.096 0.803 1.00 0.00 H new ATOM 0 HA LYS A 90 5.815 -10.817 -1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.857 -13.028 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.772 -12.240 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.116 -12.779 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.314 -13.440 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.285 -14.997 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.763 -14.565 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.059 -15.374 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.638 -15.743 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.558 -17.714 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.005 -17.352 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.413 -16.995 -4.006 1.00 0.00 H new ATOM 1382 N VAL A 91 3.749 -9.615 -2.559 1.00 0.00 N ATOM 1383 CA VAL A 91 2.791 -8.588 -2.951 1.00 0.00 C ATOM 1384 C VAL A 91 2.511 -8.642 -4.449 1.00 0.00 C ATOM 1385 O VAL A 91 3.432 -8.727 -5.259 1.00 0.00 O ATOM 1386 CB VAL A 91 3.295 -7.180 -2.584 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.221 -6.961 -1.081 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.714 -6.974 -3.092 1.00 0.00 C ATOM 0 H VAL A 91 4.340 -9.952 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 91 1.870 -8.789 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 91 2.650 -6.445 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.581 -5.961 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.188 -7.064 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.841 -7.701 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.055 -5.974 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.373 -7.715 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.732 -7.085 -4.176 1.00 0.00 H new ATOM 1398 N GLU A 92 1.232 -8.590 -4.808 1.00 0.00 N ATOM 1399 CA GLU A 92 0.831 -8.633 -6.209 1.00 0.00 C ATOM 1400 C GLU A 92 0.728 -7.225 -6.789 1.00 0.00 C ATOM 1401 O GLU A 92 -0.136 -6.441 -6.395 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.510 -9.356 -6.357 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.715 -9.982 -7.726 1.00 0.00 C ATOM 1404 CD GLU A 92 -0.098 -9.162 -8.842 1.00 0.00 C ATOM 1405 OE1 GLU A 92 1.126 -9.281 -9.058 1.00 0.00 O ATOM 1406 OE2 GLU A 92 -0.839 -8.401 -9.499 1.00 0.00 O ATOM 0 H GLU A 92 0.457 -8.518 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 92 1.594 -9.181 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.580 -10.134 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.317 -8.649 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.281 -10.982 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.783 -10.097 -7.912 1.00 0.00 H new ATOM 1413 N TRP A 93 1.616 -6.911 -7.726 1.00 0.00 N ATOM 1414 CA TRP A 93 1.627 -5.598 -8.360 1.00 0.00 C ATOM 1415 C TRP A 93 0.583 -5.520 -9.468 1.00 0.00 C ATOM 1416 O TRP A 93 0.589 -6.330 -10.397 1.00 0.00 O ATOM 1417 CB TRP A 93 3.014 -5.294 -8.927 1.00 0.00 C ATOM 1418 CG TRP A 93 3.987 -4.815 -7.892 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.839 -5.583 -7.151 1.00 0.00 C ATOM 1420 CD2 TRP A 93 4.205 -3.461 -7.482 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.574 -4.788 -6.306 1.00 0.00 N ATOM 1422 CE2 TRP A 93 5.205 -3.482 -6.490 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.655 -2.232 -7.859 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.663 -2.322 -5.871 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 4.111 -1.082 -7.243 1.00 0.00 C ATOM 1426 CH2 TRP A 93 5.107 -1.133 -6.259 1.00 0.00 C ATOM 0 H TRP A 93 2.338 -7.548 -8.063 1.00 0.00 H new ATOM 0 HA TRP A 93 1.381 -4.854 -7.602 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.410 -6.193 -9.400 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.922 -4.538 -9.707 1.00 0.00 H new ATOM 0 HD1 TRP A 93 4.923 -6.658 -7.219 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.280 -5.117 -5.648 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.888 -2.182 -8.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.430 -2.359 -5.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.692 -0.127 -7.525 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.443 -0.216 -5.798 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.311 -4.543 -9.366 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.360 -4.360 -10.361 1.00 0.00 C ATOM 1439 C ILE A 94 -1.012 -3.231 -11.326 1.00 0.00 C ATOM 1440 O ILE A 94 -0.949 -3.434 -12.538 1.00 0.00 O ATOM 1441 CB ILE A 94 -2.717 -4.055 -9.700 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.152 -5.225 -8.815 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -3.770 -3.766 -10.760 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.482 -5.237 -7.458 1.00 0.00 C ATOM 0 H ILE A 94 -0.330 -3.865 -8.604 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.437 -5.296 -10.913 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.608 -3.170 -9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.233 -5.184 -8.678 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.931 -6.161 -9.329 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.723 -3.552 -10.277 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.463 -2.905 -11.353 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.879 -4.634 -11.410 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.837 -6.093 -6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.402 -5.309 -7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.724 -4.318 -6.925 1.00 0.00 H new ATOM 1456 N ARG A 95 -0.785 -2.042 -10.778 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.443 -0.880 -11.590 1.00 0.00 C ATOM 1458 C ARG A 95 0.940 -0.349 -11.222 1.00 0.00 C ATOM 1459 O ARG A 95 1.255 -0.168 -10.046 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.489 0.222 -11.408 1.00 0.00 C ATOM 1461 CG ARG A 95 -2.921 -0.273 -11.524 1.00 0.00 C ATOM 1462 CD ARG A 95 -3.136 -1.064 -12.805 1.00 0.00 C ATOM 1463 NE ARG A 95 -2.649 -0.345 -13.980 1.00 0.00 N ATOM 1464 CZ ARG A 95 -2.782 -0.794 -15.223 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -3.384 -1.952 -15.452 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -2.313 -0.082 -16.240 1.00 0.00 N ATOM 0 H ARG A 95 -0.832 -1.858 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.429 -1.189 -12.635 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.351 0.684 -10.430 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.320 0.998 -12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.161 -0.899 -10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.604 0.576 -11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.624 -2.023 -12.729 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.198 -1.278 -12.925 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.181 0.550 -13.838 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.747 -2.501 -14.673 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.485 -2.294 -16.408 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.850 0.810 -16.067 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.415 -0.427 -17.194 1.00 0.00 H new ATOM 1480 N LYS A 96 1.761 -0.101 -12.237 1.00 0.00 N ATOM 1481 CA LYS A 96 3.110 0.409 -12.023 1.00 0.00 C ATOM 1482 C LYS A 96 3.259 1.813 -12.602 1.00 0.00 C ATOM 1483 O LYS A 96 4.366 2.341 -12.695 1.00 0.00 O ATOM 1484 CB LYS A 96 4.139 -0.528 -12.659 1.00 0.00 C ATOM 1485 CG LYS A 96 4.446 -1.755 -11.818 1.00 0.00 C ATOM 1486 CD LYS A 96 5.421 -2.684 -12.521 1.00 0.00 C ATOM 1487 CE LYS A 96 5.375 -4.087 -11.936 1.00 0.00 C ATOM 1488 NZ LYS A 96 5.866 -5.107 -12.904 1.00 0.00 N ATOM 0 H LYS A 96 1.515 -0.245 -13.216 1.00 0.00 H new ATOM 0 HA LYS A 96 3.287 0.457 -10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.772 -0.849 -13.634 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.063 0.024 -12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.864 -1.445 -10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.521 -2.291 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.184 -2.724 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.432 -2.285 -12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.981 -4.123 -11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.352 -4.326 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.819 -6.050 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.272 -5.090 -13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.850 -4.894 -13.163 1.00 0.00 H new ATOM 1502 N GLU A 97 2.136 2.411 -12.988 1.00 0.00 N ATOM 1503 CA GLU A 97 2.143 3.753 -13.558 1.00 0.00 C ATOM 1504 C GLU A 97 2.085 4.810 -12.459 1.00 0.00 C ATOM 1505 O GLU A 97 1.434 4.618 -11.432 1.00 0.00 O ATOM 1506 CB GLU A 97 0.963 3.931 -14.515 1.00 0.00 C ATOM 1507 CG GLU A 97 1.002 5.237 -15.292 1.00 0.00 C ATOM 1508 CD GLU A 97 1.781 5.122 -16.588 1.00 0.00 C ATOM 1509 OE1 GLU A 97 1.683 4.067 -17.248 1.00 0.00 O ATOM 1510 OE2 GLU A 97 2.489 6.088 -16.941 1.00 0.00 O ATOM 0 H GLU A 97 1.211 1.988 -12.916 1.00 0.00 H new ATOM 0 HA GLU A 97 3.073 3.880 -14.112 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.948 3.099 -15.219 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.034 3.884 -13.946 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.017 5.555 -15.512 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.451 6.012 -14.670 1.00 0.00 H new ATOM 1517 N SER A 98 2.770 5.927 -12.683 1.00 0.00 N ATOM 1518 CA SER A 98 2.801 7.013 -11.710 1.00 0.00 C ATOM 1519 C SER A 98 1.560 7.892 -11.839 1.00 0.00 C ATOM 1520 O SER A 98 1.341 8.530 -12.869 1.00 0.00 O ATOM 1521 CB SER A 98 4.061 7.860 -11.899 1.00 0.00 C ATOM 1522 OG SER A 98 3.915 9.133 -11.295 1.00 0.00 O ATOM 0 H SER A 98 3.311 6.104 -13.530 1.00 0.00 H new ATOM 0 HA SER A 98 2.813 6.574 -10.712 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.918 7.344 -11.465 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.266 7.980 -12.963 1.00 0.00 H new ATOM 0 HG SER A 98 4.734 9.654 -11.429 1.00 0.00 H new ATOM 1528 N LEU A 99 0.751 7.920 -10.786 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.469 8.720 -10.779 1.00 0.00 C ATOM 1530 C LEU A 99 -0.245 10.047 -10.060 1.00 0.00 C ATOM 1531 O LEU A 99 0.211 10.093 -8.918 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.605 7.948 -10.106 1.00 0.00 C ATOM 1533 CG LEU A 99 -2.913 8.715 -9.908 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -3.716 8.744 -11.199 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.729 8.095 -8.784 1.00 0.00 C ATOM 0 H LEU A 99 0.918 7.398 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.743 8.929 -11.813 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.815 7.059 -10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.257 7.605 -9.132 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.672 9.741 -9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.643 9.294 -11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.133 9.235 -11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.948 7.724 -11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.656 8.653 -8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.960 7.059 -9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.156 8.128 -7.857 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.577 11.153 -10.743 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.424 12.501 -10.188 1.00 0.00 C ATOM 1549 C PRO A 100 -1.414 12.781 -9.062 1.00 0.00 C ATOM 1550 O PRO A 100 -2.611 12.528 -9.198 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.705 13.412 -11.386 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.571 12.598 -12.285 1.00 0.00 C ATOM 1553 CD PRO A 100 -1.127 11.173 -12.109 1.00 0.00 C ATOM 0 HA PRO A 100 0.560 12.649 -9.744 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.206 14.329 -11.077 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.218 13.706 -11.885 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.623 12.714 -12.024 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.463 12.915 -13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.959 10.477 -12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.377 10.892 -12.848 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.907 13.304 -7.951 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.748 13.618 -6.801 1.00 0.00 C ATOM 1563 C PHE A 101 -3.019 14.339 -7.238 1.00 0.00 C ATOM 1564 O PHE A 101 -4.114 14.023 -6.774 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.977 14.480 -5.799 1.00 0.00 C ATOM 1566 CG PHE A 101 -0.021 13.697 -4.946 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.431 12.538 -4.307 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.289 14.119 -4.783 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.446 11.816 -3.520 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.171 13.401 -3.998 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.750 12.247 -3.367 1.00 0.00 C ATOM 0 H PHE A 101 0.082 13.519 -7.822 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.030 12.681 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.423 15.246 -6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.688 14.997 -5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.448 12.195 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.625 15.020 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.113 10.916 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.189 13.742 -3.878 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.438 11.683 -2.755 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.864 15.310 -8.132 1.00 0.00 N ATOM 1582 CA GLN A 102 -4.000 16.077 -8.631 1.00 0.00 C ATOM 1583 C GLN A 102 -5.225 15.186 -8.804 1.00 0.00 C ATOM 1584 O GLN A 102 -6.354 15.611 -8.557 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.647 16.744 -9.961 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.855 17.280 -10.712 1.00 0.00 C ATOM 1587 CD GLN A 102 -4.488 18.355 -11.717 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -4.102 19.463 -11.345 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -4.606 18.031 -12.999 1.00 0.00 N ATOM 0 H GLN A 102 -1.964 15.584 -8.526 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.236 16.848 -7.898 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.953 17.563 -9.774 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -3.127 16.024 -10.593 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.350 16.458 -11.229 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.572 17.685 -9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.930 17.100 -13.262 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.373 18.713 -13.721 1.00 0.00 H new ATOM 1598 N PHE A 103 -4.995 13.949 -9.231 1.00 0.00 N ATOM 1599 CA PHE A 103 -6.080 12.998 -9.439 1.00 0.00 C ATOM 1600 C PHE A 103 -6.752 12.641 -8.116 1.00 0.00 C ATOM 1601 O PHE A 103 -7.978 12.661 -8.005 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.554 11.730 -10.114 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.552 11.806 -11.614 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -4.935 12.860 -12.267 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -6.169 10.823 -12.372 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -4.931 12.933 -13.648 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -6.169 10.890 -13.752 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.550 11.947 -14.391 1.00 0.00 C ATOM 0 H PHE A 103 -4.067 13.582 -9.440 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.820 13.467 -10.088 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.539 11.537 -9.767 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.164 10.882 -9.802 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.451 13.635 -11.691 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.655 9.995 -11.878 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.445 13.760 -14.145 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.652 10.117 -14.331 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.550 12.002 -15.470 1.00 0.00 H new ATOM 1618 N ALA A 104 -5.941 12.315 -7.116 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.455 11.956 -5.801 1.00 0.00 C ATOM 1620 C ALA A 104 -6.490 13.167 -4.875 1.00 0.00 C ATOM 1621 O ALA A 104 -6.569 13.026 -3.654 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.612 10.846 -5.189 1.00 0.00 C ATOM 0 H ALA A 104 -4.924 12.292 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.476 11.596 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.008 10.588 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.642 9.968 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.581 11.186 -5.087 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.430 14.358 -5.463 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.455 15.594 -4.690 1.00 0.00 C ATOM 1630 C HIS A 105 -7.823 15.808 -4.051 1.00 0.00 C ATOM 1631 O HIS A 105 -7.941 16.466 -3.016 1.00 0.00 O ATOM 1632 CB HIS A 105 -6.105 16.785 -5.583 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.650 17.992 -4.821 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -5.863 18.151 -3.467 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -4.989 19.100 -5.229 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.354 19.306 -3.077 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -4.817 19.901 -4.127 1.00 0.00 N ATOM 0 H HIS A 105 -6.364 14.493 -6.472 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.712 15.512 -3.897 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.321 16.488 -6.279 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.978 17.050 -6.180 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.339 17.482 -2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.658 19.314 -6.234 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.374 19.697 -2.071 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.856 15.249 -4.673 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.217 15.378 -4.165 1.00 0.00 C ATOM 1647 C HIS A 106 -10.491 14.344 -3.076 1.00 0.00 C ATOM 1648 O HIS A 106 -11.278 14.586 -2.160 1.00 0.00 O ATOM 1649 CB HIS A 106 -11.226 15.218 -5.302 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.288 13.829 -5.857 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.277 13.276 -6.615 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.247 12.878 -5.761 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.612 12.046 -6.961 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.803 11.780 -6.455 1.00 0.00 N ATOM 0 H HIS A 106 -8.776 14.702 -5.530 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.324 16.373 -3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.215 15.501 -4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.969 15.910 -6.104 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -9.407 13.744 -6.869 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.187 12.967 -5.236 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -10.014 11.372 -7.556 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.839 13.192 -3.184 1.00 0.00 N ATOM 1663 CA LEU A 107 -10.012 12.121 -2.210 1.00 0.00 C ATOM 1664 C LEU A 107 -9.358 12.482 -0.880 1.00 0.00 C ATOM 1665 O LEU A 107 -8.298 13.108 -0.848 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.419 10.817 -2.745 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.994 10.310 -4.068 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -9.330 9.004 -4.475 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.502 10.133 -3.961 1.00 0.00 C ATOM 0 H LEU A 107 -9.185 12.976 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.081 11.986 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.345 10.954 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.558 10.042 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.789 11.053 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.753 8.660 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.258 9.162 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.502 8.253 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.894 9.772 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.729 9.411 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.964 11.090 -3.718 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.995 12.083 0.215 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.474 12.363 1.548 1.00 0.00 C ATOM 1683 C LEU A 108 -9.668 11.164 2.472 1.00 0.00 C ATOM 1684 O LEU A 108 -10.259 10.158 2.082 1.00 0.00 O ATOM 1685 CB LEU A 108 -10.165 13.593 2.139 1.00 0.00 C ATOM 1686 CG LEU A 108 -10.254 14.817 1.226 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -11.336 15.768 1.712 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.910 15.527 1.155 1.00 0.00 C ATOM 0 H LEU A 108 -10.873 11.564 0.206 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.406 12.561 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.176 13.310 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.636 13.880 3.048 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.519 14.481 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.385 16.633 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.298 15.256 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.102 16.098 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.991 16.395 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.616 15.851 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.158 14.844 0.759 1.00 0.00 H new ATOM 1700 N ASN A 109 -9.169 11.281 3.698 1.00 0.00 N ATOM 1701 CA ASN A 109 -9.289 10.208 4.677 1.00 0.00 C ATOM 1702 C ASN A 109 -9.931 10.715 5.965 1.00 0.00 C ATOM 1703 O ASN A 109 -9.277 11.314 6.819 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.914 9.610 4.981 1.00 0.00 C ATOM 1705 CG ASN A 109 -8.005 8.201 5.535 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -8.957 7.473 5.256 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -7.011 7.811 6.325 1.00 0.00 N ATOM 0 H ASN A 109 -8.678 12.108 4.037 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.929 9.434 4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.315 9.601 4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.395 10.246 5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -7.017 6.874 6.728 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.242 8.449 6.529 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.242 10.471 6.109 1.00 0.00 N ATOM 1715 CA PRO A 110 -12.001 10.893 7.290 1.00 0.00 C ATOM 1716 C PRO A 110 -11.616 10.106 8.538 1.00 0.00 C ATOM 1717 O PRO A 110 -12.209 10.285 9.603 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.452 10.604 6.901 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.363 9.519 5.884 1.00 0.00 C ATOM 1720 CD PRO A 110 -12.084 9.762 5.131 1.00 0.00 C ATOM 0 HA PRO A 110 -11.814 11.936 7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -14.038 10.290 7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.936 11.491 6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -13.356 8.538 6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -14.222 9.542 5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.625 8.828 4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.252 10.361 4.236 1.00 0.00 H new ATOM 1728 N TRP A 111 -10.622 9.237 8.401 1.00 0.00 N ATOM 1729 CA TRP A 111 -10.159 8.423 9.519 1.00 0.00 C ATOM 1730 C TRP A 111 -9.099 9.162 10.328 1.00 0.00 C ATOM 1731 O TRP A 111 -8.879 8.862 11.500 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.596 7.094 9.011 1.00 0.00 C ATOM 1733 CG TRP A 111 -10.629 6.013 8.908 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -11.953 6.169 8.611 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -10.422 4.610 9.104 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -12.581 4.947 8.610 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -11.664 3.974 8.910 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -9.309 3.828 9.424 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -11.821 2.596 9.025 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -9.466 2.460 9.539 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -10.715 1.855 9.339 1.00 0.00 C ATOM 0 H TRP A 111 -10.121 9.078 7.527 1.00 0.00 H new ATOM 0 HA TRP A 111 -11.012 8.224 10.168 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -9.144 7.250 8.031 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -8.801 6.765 9.680 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.435 7.114 8.407 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -13.570 4.790 8.417 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -8.343 4.285 9.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -12.782 2.128 8.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -8.612 1.847 9.787 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -10.806 0.783 9.435 1.00 0.00 H new ATOM 1752 N ASN A 112 -8.445 10.130 9.694 1.00 0.00 N ATOM 1753 CA ASN A 112 -7.406 10.911 10.356 1.00 0.00 C ATOM 1754 C ASN A 112 -7.572 12.398 10.058 1.00 0.00 C ATOM 1755 O ASN A 112 -6.899 12.946 9.184 1.00 0.00 O ATOM 1756 CB ASN A 112 -6.021 10.441 9.908 1.00 0.00 C ATOM 1757 CG ASN A 112 -5.814 10.593 8.413 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -6.390 9.852 7.617 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -4.988 11.558 8.026 1.00 0.00 N ATOM 0 H ASN A 112 -8.616 10.392 8.723 1.00 0.00 H new ATOM 0 HA ASN A 112 -7.502 10.760 11.431 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.258 11.011 10.437 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.888 9.396 10.186 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -4.809 11.709 7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.532 12.149 8.722 1.00 0.00 H new ATOM 1766 N ASP A 113 -8.471 13.046 10.790 1.00 0.00 N ATOM 1767 CA ASP A 113 -8.725 14.470 10.606 1.00 0.00 C ATOM 1768 C ASP A 113 -9.046 14.781 9.147 1.00 0.00 C ATOM 1769 O ASP A 113 -8.556 15.763 8.589 1.00 0.00 O ATOM 1770 CB ASP A 113 -7.515 15.288 11.060 1.00 0.00 C ATOM 1771 CG ASP A 113 -7.526 15.558 12.552 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -8.626 15.578 13.144 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -6.435 15.749 13.128 1.00 0.00 O ATOM 0 H ASP A 113 -9.036 12.608 11.517 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.587 14.742 11.215 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.601 14.756 10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.498 16.236 10.522 1.00 0.00 H new ATOM 1778 N ASN A 114 -9.870 13.937 8.535 1.00 0.00 N ATOM 1779 CA ASN A 114 -10.255 14.121 7.140 1.00 0.00 C ATOM 1780 C ASN A 114 -9.116 14.745 6.339 1.00 0.00 C ATOM 1781 O ASN A 114 -9.313 15.720 5.615 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.502 15.002 7.045 1.00 0.00 C ATOM 1783 CG ASN A 114 -12.581 14.584 8.025 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -12.454 14.792 9.232 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -13.651 13.990 7.509 1.00 0.00 N ATOM 0 H ASN A 114 -10.284 13.119 8.983 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.478 13.141 6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.226 16.039 7.234 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.899 14.957 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.410 13.686 8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.714 13.838 6.502 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.923 14.174 6.474 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.752 14.671 5.763 1.00 0.00 C ATOM 1794 C LYS A 115 -6.581 13.954 4.428 1.00 0.00 C ATOM 1795 O LYS A 115 -6.788 12.744 4.330 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.495 14.488 6.617 1.00 0.00 C ATOM 1797 CG LYS A 115 -5.299 15.581 7.653 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.971 16.914 7.001 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.645 17.977 8.039 1.00 0.00 C ATOM 1800 NZ LYS A 115 -3.215 17.930 8.451 1.00 0.00 N ATOM 0 H LYS A 115 -7.743 13.366 7.070 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.900 15.733 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.547 13.524 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.623 14.458 5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.203 15.681 8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.495 15.300 8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.124 16.791 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.816 17.242 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.874 18.963 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.280 17.837 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.033 18.670 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.002 16.998 8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.609 18.089 7.621 1.00 0.00 H new ATOM 1814 N LYS A 116 -6.201 14.707 3.401 1.00 0.00 N ATOM 1815 CA LYS A 116 -5.999 14.143 2.072 1.00 0.00 C ATOM 1816 C LYS A 116 -5.377 12.753 2.159 1.00 0.00 C ATOM 1817 O LYS A 116 -4.526 12.496 3.010 1.00 0.00 O ATOM 1818 CB LYS A 116 -5.106 15.062 1.235 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.705 14.467 -0.103 1.00 0.00 C ATOM 1820 CD LYS A 116 -3.827 15.420 -0.896 1.00 0.00 C ATOM 1821 CE LYS A 116 -4.377 16.838 -0.870 1.00 0.00 C ATOM 1822 NZ LYS A 116 -3.858 17.613 0.291 1.00 0.00 N ATOM 0 H LYS A 116 -6.027 15.710 3.464 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.973 14.056 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.628 16.003 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.206 15.296 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.172 13.530 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.599 14.230 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.817 15.413 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.754 15.076 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.110 17.348 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.466 16.805 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.652 17.906 0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.205 17.019 0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.354 18.456 -0.052 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.805 11.861 1.272 1.00 0.00 N ATOM 1837 CA VAL A 117 -5.288 10.498 1.247 1.00 0.00 C ATOM 1838 C VAL A 117 -3.767 10.486 1.348 1.00 0.00 C ATOM 1839 O VAL A 117 -3.205 10.022 2.339 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.712 9.760 -0.037 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.383 8.278 0.065 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -7.195 9.968 -0.305 1.00 0.00 C ATOM 0 H VAL A 117 -6.509 12.058 0.561 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.711 9.983 2.109 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.153 10.175 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.690 7.773 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.310 8.153 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.914 7.845 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.478 9.440 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.774 9.581 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.397 11.032 -0.425 1.00 0.00 H new ATOM 1852 N GLN A 118 -3.107 11.000 0.315 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.650 11.048 0.288 1.00 0.00 C ATOM 1854 C GLN A 118 -1.089 11.350 1.674 1.00 0.00 C ATOM 1855 O GLN A 118 -0.073 10.785 2.079 1.00 0.00 O ATOM 1856 CB GLN A 118 -1.171 12.104 -0.710 1.00 0.00 C ATOM 1857 CG GLN A 118 -0.997 13.484 -0.098 1.00 0.00 C ATOM 1858 CD GLN A 118 -0.523 14.513 -1.106 1.00 0.00 C ATOM 1859 OE1 GLN A 118 -1.149 14.714 -2.147 1.00 0.00 O ATOM 1860 NE2 GLN A 118 0.589 15.173 -0.801 1.00 0.00 N ATOM 0 H GLN A 118 -3.558 11.389 -0.513 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.286 10.070 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.221 11.783 -1.138 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.886 12.167 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.945 13.810 0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.280 13.426 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.076 14.975 0.073 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.955 15.878 -1.441 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.757 12.244 2.395 1.00 0.00 N ATOM 1870 CA ILE A 119 -1.326 12.620 3.735 1.00 0.00 C ATOM 1871 C ILE A 119 -1.502 11.465 4.714 1.00 0.00 C ATOM 1872 O ILE A 119 -2.384 11.494 5.572 1.00 0.00 O ATOM 1873 CB ILE A 119 -2.105 13.843 4.255 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -2.014 14.996 3.254 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -1.573 14.271 5.614 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -2.833 16.205 3.649 1.00 0.00 C ATOM 0 H ILE A 119 -2.599 12.721 2.073 1.00 0.00 H new ATOM 0 HA ILE A 119 -0.269 12.876 3.666 1.00 0.00 H new ATOM 0 HB ILE A 119 -3.153 13.567 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.971 15.293 3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.347 14.645 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -2.133 15.136 5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -1.685 13.451 6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.519 14.533 5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.721 16.983 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.883 15.923 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.486 16.581 4.611 1.00 0.00 H new ATOM 1888 N SER A 120 -0.656 10.448 4.580 1.00 0.00 N ATOM 1889 CA SER A 120 -0.720 9.281 5.452 1.00 0.00 C ATOM 1890 C SER A 120 0.679 8.751 5.754 1.00 0.00 C ATOM 1891 O SER A 120 1.492 8.564 4.849 1.00 0.00 O ATOM 1892 CB SER A 120 -1.566 8.182 4.807 1.00 0.00 C ATOM 1893 OG SER A 120 -2.936 8.335 5.132 1.00 0.00 O ATOM 0 H SER A 120 0.081 10.409 3.876 1.00 0.00 H new ATOM 0 HA SER A 120 -1.185 9.584 6.390 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.441 8.211 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.216 7.206 5.143 1.00 0.00 H new ATOM 0 HG SER A 120 -3.127 9.280 5.309 1.00 0.00 H new ATOM 1899 N ARG A 121 0.951 8.512 7.032 1.00 0.00 N ATOM 1900 CA ARG A 121 2.251 8.006 7.455 1.00 0.00 C ATOM 1901 C ARG A 121 2.415 6.539 7.068 1.00 0.00 C ATOM 1902 O ARG A 121 1.454 5.881 6.667 1.00 0.00 O ATOM 1903 CB ARG A 121 2.418 8.167 8.967 1.00 0.00 C ATOM 1904 CG ARG A 121 2.450 9.616 9.425 1.00 0.00 C ATOM 1905 CD ARG A 121 2.352 9.724 10.939 1.00 0.00 C ATOM 1906 NE ARG A 121 3.653 9.564 11.584 1.00 0.00 N ATOM 1907 CZ ARG A 121 3.936 10.036 12.793 1.00 0.00 C ATOM 1908 NH1 ARG A 121 3.015 10.692 13.485 1.00 0.00 N ATOM 1909 NH2 ARG A 121 5.142 9.850 13.313 1.00 0.00 N ATOM 0 H ARG A 121 0.288 8.661 7.793 1.00 0.00 H new ATOM 0 HA ARG A 121 3.021 8.587 6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.599 7.653 9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.341 7.676 9.276 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.373 10.086 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.626 10.162 8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.931 10.693 11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.666 8.964 11.313 1.00 0.00 H new ATOM 0 HE ARG A 121 4.384 9.063 11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.086 10.836 13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.235 11.053 14.413 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.853 9.344 12.784 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.359 10.213 14.241 1.00 0.00 H new ATOM 1923 N ASP A 122 3.637 6.033 7.191 1.00 0.00 N ATOM 1924 CA ASP A 122 3.927 4.644 6.854 1.00 0.00 C ATOM 1925 C ASP A 122 3.151 3.692 7.760 1.00 0.00 C ATOM 1926 O ASP A 122 3.158 3.838 8.982 1.00 0.00 O ATOM 1927 CB ASP A 122 5.427 4.371 6.972 1.00 0.00 C ATOM 1928 CG ASP A 122 5.926 4.482 8.399 1.00 0.00 C ATOM 1929 OD1 ASP A 122 5.895 3.463 9.120 1.00 0.00 O ATOM 1930 OD2 ASP A 122 6.348 5.589 8.794 1.00 0.00 O ATOM 0 H ASP A 122 4.443 6.564 7.522 1.00 0.00 H new ATOM 0 HA ASP A 122 3.614 4.473 5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.642 3.372 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.972 5.076 6.344 1.00 0.00 H new ATOM 1935 N GLY A 123 2.483 2.717 7.152 1.00 0.00 N ATOM 1936 CA GLY A 123 1.711 1.757 7.919 1.00 0.00 C ATOM 1937 C GLY A 123 0.464 2.368 8.527 1.00 0.00 C ATOM 1938 O GLY A 123 0.103 2.056 9.661 1.00 0.00 O ATOM 0 H GLY A 123 2.463 2.575 6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.427 0.926 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.334 1.346 8.713 1.00 0.00 H new ATOM 1942 N GLN A 124 -0.194 3.242 7.772 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.405 3.900 8.245 1.00 0.00 C ATOM 1944 C GLN A 124 -2.644 3.293 7.594 1.00 0.00 C ATOM 1945 O GLN A 124 -2.692 3.114 6.378 1.00 0.00 O ATOM 1946 CB GLN A 124 -1.344 5.400 7.952 1.00 0.00 C ATOM 1947 CG GLN A 124 -0.582 6.194 9.000 1.00 0.00 C ATOM 1948 CD GLN A 124 -0.994 5.838 10.415 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -0.171 5.407 11.224 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -2.273 6.017 10.722 1.00 0.00 N ATOM 0 H GLN A 124 0.092 3.510 6.830 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.472 3.750 9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.875 5.553 6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -2.360 5.789 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 124 0.486 6.014 8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -0.747 7.259 8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.920 6.376 10.021 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -2.608 5.795 11.659 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.643 2.978 8.413 1.00 0.00 N ATOM 1960 CA GLU A 125 -4.881 2.390 7.916 1.00 0.00 C ATOM 1961 C GLU A 125 -5.654 3.391 7.061 1.00 0.00 C ATOM 1962 O GLU A 125 -5.859 4.538 7.461 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.752 1.919 9.082 1.00 0.00 C ATOM 1964 CG GLU A 125 -6.643 0.737 8.738 1.00 0.00 C ATOM 1965 CD GLU A 125 -7.038 -0.071 9.959 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -7.272 0.539 11.023 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -7.113 -1.313 9.851 1.00 0.00 O ATOM 0 H GLU A 125 -3.619 3.120 9.423 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.622 1.532 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.108 1.647 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.376 2.748 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.543 1.098 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.124 0.090 8.031 1.00 0.00 H new ATOM 1974 N LEU A 126 -6.080 2.949 5.883 1.00 0.00 N ATOM 1975 CA LEU A 126 -6.830 3.804 4.971 1.00 0.00 C ATOM 1976 C LEU A 126 -8.256 3.292 4.792 1.00 0.00 C ATOM 1977 O LEU A 126 -8.468 2.139 4.419 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.128 3.876 3.614 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.696 4.886 2.616 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.429 6.308 3.085 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -6.106 4.659 1.232 1.00 0.00 C ATOM 0 H LEU A 126 -5.919 2.003 5.537 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.874 4.803 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.078 4.114 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.161 2.887 3.158 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.775 4.741 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.840 7.013 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.901 6.466 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.354 6.466 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.522 5.387 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.023 4.775 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.350 3.652 0.893 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.228 4.158 5.058 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.634 3.792 4.924 1.00 0.00 C ATOM 1995 C GLU A 127 -10.886 3.078 3.600 1.00 0.00 C ATOM 1996 O GLU A 127 -10.386 3.473 2.547 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.519 5.036 5.022 1.00 0.00 C ATOM 1998 CG GLU A 127 -12.954 4.733 5.417 1.00 0.00 C ATOM 1999 CD GLU A 127 -13.826 5.973 5.449 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -13.436 6.989 4.836 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.898 5.928 6.087 1.00 0.00 O ATOM 0 H GLU A 127 -9.069 5.117 5.367 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.885 3.111 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.088 5.722 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.517 5.550 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.376 4.015 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -12.964 4.261 6.399 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.681 1.999 3.653 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.019 1.205 2.467 1.00 0.00 C ATOM 2010 C PRO A 128 -12.937 1.957 1.509 1.00 0.00 C ATOM 2011 O PRO A 128 -13.186 1.505 0.392 1.00 0.00 O ATOM 2012 CB PRO A 128 -12.736 -0.015 3.049 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.291 0.456 4.349 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.312 1.470 4.874 1.00 0.00 C ATOM 0 HA PRO A 128 -11.136 0.956 1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.526 -0.364 2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.048 -0.848 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.278 0.899 4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.407 -0.373 5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -12.812 2.256 5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -11.579 1.014 5.540 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.437 3.105 1.955 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.329 3.918 1.136 1.00 0.00 C ATOM 2024 C GLN A 129 -13.534 4.846 0.223 1.00 0.00 C ATOM 2025 O GLN A 129 -13.899 5.060 -0.933 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.267 4.737 2.024 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.610 5.037 1.378 1.00 0.00 C ATOM 2028 CD GLN A 129 -17.220 6.333 1.874 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -17.532 7.226 1.086 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -17.393 6.442 3.186 1.00 0.00 N ATOM 0 H GLN A 129 -13.240 3.493 2.878 1.00 0.00 H new ATOM 0 HA GLN A 129 -14.923 3.248 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.434 4.197 2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -14.780 5.677 2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.485 5.089 0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.298 4.216 1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -17.120 5.676 3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -17.799 7.292 3.578 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.445 5.397 0.751 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.598 6.303 -0.016 1.00 0.00 C ATOM 2041 C VAL A 130 -10.441 5.554 -0.667 1.00 0.00 C ATOM 2042 O VAL A 130 -9.883 6.001 -1.668 1.00 0.00 O ATOM 2043 CB VAL A 130 -11.032 7.428 0.871 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -12.159 8.181 1.562 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -10.054 6.862 1.889 1.00 0.00 C ATOM 0 H VAL A 130 -12.129 5.232 1.707 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.225 6.742 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.493 8.132 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.740 8.972 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.817 8.620 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.728 7.492 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.664 7.670 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.566 6.137 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.230 6.373 1.369 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.086 4.409 -0.092 1.00 0.00 N ATOM 2056 CA GLY A 131 -8.997 3.614 -0.630 1.00 0.00 C ATOM 2057 C GLY A 131 -9.395 2.859 -1.883 1.00 0.00 C ATOM 2058 O GLY A 131 -8.538 2.442 -2.661 1.00 0.00 O ATOM 0 H GLY A 131 -10.533 4.018 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.152 4.265 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.661 2.905 0.126 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.698 2.682 -2.077 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.206 1.969 -3.243 1.00 0.00 C ATOM 2064 C GLU A 132 -11.329 2.904 -4.442 1.00 0.00 C ATOM 2065 O GLU A 132 -10.927 2.561 -5.553 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.566 1.340 -2.931 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.727 2.313 -3.049 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.070 1.649 -2.815 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.289 1.133 -1.698 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -15.902 1.646 -3.746 1.00 0.00 O ATOM 0 H GLU A 132 -11.420 3.022 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.497 1.180 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.734 0.503 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.545 0.933 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.594 3.120 -2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.717 2.766 -4.040 1.00 0.00 H new ATOM 2077 N GLN A 133 -11.887 4.087 -4.207 1.00 0.00 N ATOM 2078 CA GLN A 133 -12.063 5.072 -5.268 1.00 0.00 C ATOM 2079 C GLN A 133 -10.731 5.711 -5.646 1.00 0.00 C ATOM 2080 O GLN A 133 -10.637 6.437 -6.636 1.00 0.00 O ATOM 2081 CB GLN A 133 -13.054 6.152 -4.830 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.641 6.879 -3.561 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.714 7.820 -3.051 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.811 7.889 -3.607 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -13.404 8.551 -1.987 1.00 0.00 N ATOM 0 H GLN A 133 -12.225 4.387 -3.292 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.459 4.558 -6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.166 6.879 -5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.031 5.695 -4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.407 6.147 -2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.728 7.444 -3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.483 8.462 -1.558 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -14.087 9.202 -1.599 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.703 5.435 -4.851 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.374 5.983 -5.101 1.00 0.00 C ATOM 2096 C LEU A 134 -7.612 5.126 -6.107 1.00 0.00 C ATOM 2097 O LEU A 134 -6.781 5.629 -6.864 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.585 6.079 -3.794 1.00 0.00 C ATOM 2099 CG LEU A 134 -6.068 6.211 -3.933 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.688 7.635 -4.306 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.376 5.792 -2.644 1.00 0.00 C ATOM 0 H LEU A 134 -9.764 4.835 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.493 6.982 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -7.954 6.937 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.799 5.192 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.736 5.548 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.605 7.710 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.154 7.899 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.032 8.319 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.297 5.892 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.713 6.429 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.622 4.754 -2.420 1.00 0.00 H new ATOM 2113 N LEU A 135 -7.902 3.829 -6.110 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.245 2.901 -7.024 1.00 0.00 C ATOM 2115 C LEU A 135 -7.801 3.045 -8.438 1.00 0.00 C ATOM 2116 O LEU A 135 -7.048 3.227 -9.394 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.425 1.462 -6.537 1.00 0.00 C ATOM 2118 CG LEU A 135 -6.833 1.139 -5.165 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -6.906 -0.355 -4.891 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.395 1.630 -5.075 1.00 0.00 C ATOM 0 H LEU A 135 -8.587 3.397 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.182 3.141 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.492 1.239 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.976 0.792 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.420 1.656 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.480 -0.566 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -7.947 -0.678 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.344 -0.893 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -4.990 1.391 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.795 1.142 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.369 2.709 -5.226 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.122 2.964 -8.560 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.777 3.087 -9.857 1.00 0.00 C ATOM 2134 C GLN A 136 -9.167 4.224 -10.669 1.00 0.00 C ATOM 2135 O GLN A 136 -9.232 4.227 -11.899 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.277 3.323 -9.673 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.602 4.446 -8.701 1.00 0.00 C ATOM 2138 CD GLN A 136 -13.077 4.794 -8.684 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -13.921 3.956 -8.366 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -13.397 6.037 -9.026 1.00 0.00 N ATOM 0 H GLN A 136 -9.759 2.814 -7.778 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.627 2.155 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.722 3.552 -10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.740 2.402 -9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.290 4.155 -7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.027 5.332 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.665 6.700 -9.283 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.374 6.329 -9.032 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.575 5.190 -9.975 1.00 0.00 N ATOM 2150 CA LEU A 137 -7.953 6.334 -10.632 1.00 0.00 C ATOM 2151 C LEU A 137 -6.947 5.877 -11.684 1.00 0.00 C ATOM 2152 O LEU A 137 -6.892 6.427 -12.784 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.260 7.225 -9.600 1.00 0.00 C ATOM 2154 CG LEU A 137 -8.166 8.179 -8.820 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.416 8.788 -7.646 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.706 9.269 -9.734 1.00 0.00 C ATOM 0 H LEU A 137 -8.513 5.204 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.736 6.906 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.741 6.585 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.499 7.815 -10.111 1.00 0.00 H new ATOM 0 HG LEU A 137 -9.009 7.610 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -8.077 9.464 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -7.080 7.995 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.553 9.343 -8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.348 9.938 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -7.875 9.835 -10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.282 8.815 -10.541 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.155 4.868 -11.339 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.153 4.336 -12.254 1.00 0.00 C ATOM 2170 C TRP A 138 -5.797 3.864 -13.553 1.00 0.00 C ATOM 2171 O TRP A 138 -5.120 3.702 -14.568 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.394 3.181 -11.597 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.173 3.622 -10.848 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -1.905 3.736 -11.343 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.105 4.005 -9.471 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.053 4.168 -10.355 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.764 4.341 -9.197 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.046 4.100 -8.442 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.344 4.762 -7.939 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.627 4.517 -7.193 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.287 4.845 -6.950 1.00 0.00 C ATOM 0 H TRP A 138 -6.188 4.402 -10.432 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.451 5.136 -12.489 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.063 2.659 -10.912 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.101 2.465 -12.365 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.615 3.519 -12.360 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.053 4.333 -10.466 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.082 3.852 -8.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.311 5.014 -7.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.345 4.591 -6.390 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -1.992 5.170 -5.963 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.108 3.646 -13.513 1.00 0.00 N ATOM 2193 CA GLU A 139 -7.842 3.192 -14.688 1.00 0.00 C ATOM 2194 C GLU A 139 -8.189 4.366 -15.600 1.00 0.00 C ATOM 2195 O GLU A 139 -8.506 4.180 -16.775 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.120 2.463 -14.269 1.00 0.00 C ATOM 2197 CG GLU A 139 -8.884 1.352 -13.260 1.00 0.00 C ATOM 2198 CD GLU A 139 -10.008 0.334 -13.239 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -11.052 0.616 -12.616 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -9.842 -0.745 -13.847 1.00 0.00 O ATOM 0 H GLU A 139 -7.683 3.776 -12.680 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.203 2.502 -15.239 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.818 3.185 -13.845 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.596 2.043 -15.155 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.946 0.848 -13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.774 1.786 -12.266 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.126 5.574 -15.050 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.434 6.777 -15.812 1.00 0.00 C ATOM 2209 C ARG A 140 -7.210 7.261 -16.585 1.00 0.00 C ATOM 2210 O ARG A 140 -7.320 8.094 -17.485 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.932 7.884 -14.880 1.00 0.00 C ATOM 2212 CG ARG A 140 -10.079 7.452 -13.981 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.955 8.632 -13.590 1.00 0.00 C ATOM 2214 NE ARG A 140 -11.866 8.299 -12.499 1.00 0.00 N ATOM 2215 CZ ARG A 140 -12.812 9.120 -12.055 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -12.971 10.315 -12.608 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -13.603 8.746 -11.057 1.00 0.00 N ATOM 0 H ARG A 140 -7.864 5.745 -14.079 1.00 0.00 H new ATOM 0 HA ARG A 140 -9.220 6.532 -16.527 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.103 8.225 -14.259 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.252 8.736 -15.480 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.683 6.703 -14.494 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.681 6.980 -13.083 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -10.324 9.469 -13.292 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -11.531 8.959 -14.456 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.771 7.386 -12.053 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -12.366 10.606 -13.376 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.698 10.943 -12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -13.485 7.827 -10.630 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -14.329 9.377 -10.717 1.00 0.00 H new ATOM 2231 N LEU A 141 -6.045 6.733 -16.226 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.799 7.111 -16.885 1.00 0.00 C ATOM 2233 C LEU A 141 -4.739 6.546 -18.300 1.00 0.00 C ATOM 2234 O LEU A 141 -4.375 5.388 -18.502 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.600 6.616 -16.074 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.623 6.935 -14.579 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.414 6.328 -13.885 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.668 8.440 -14.356 1.00 0.00 C ATOM 0 H LEU A 141 -5.937 6.043 -15.483 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.764 8.199 -16.946 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.528 5.535 -16.193 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.695 7.045 -16.503 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.522 6.496 -14.147 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.448 6.566 -12.822 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.425 5.246 -14.016 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.502 6.737 -14.319 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.684 8.649 -13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.787 8.901 -14.803 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.566 8.850 -14.819 1.00 0.00 H new TER 2250 LEU A 141