USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 911 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 75 HIS : no HD1:sc= 0 X(o=1.2,f=1.1) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0.617 USER MOD Set 1.3: A 79 THR OG1 : rot 80:sc= 0.606 USER MOD Set 2.1: A 25 CYS SG : rot 69:sc= -0.336 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.386 K(o=-0.72,f=-3.1!) USER MOD Set 3.1: A 47 GLN : amide:sc= 0.284 X(o=0.53,f=0.98) USER MOD Set 3.2: A 73 TYR OH : rot 30:sc= 0.247 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 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.0545 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0069 X(o=-0.0069,f=-0.37) USER MOD Single : A 27 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.23) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.538 F(o=-2.9,f=-0.54) USER MOD Single : A 39 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= -2.57! (180deg=-2.79!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -7:sc= 0.0456 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.00519 K(o=-0.0052,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 142:sc= 0.921 (180deg=0.0975) USER MOD Single : A 56 GLN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 60 SER OG : rot -85:sc= 0.493 USER MOD Single : A 62 SER OG : rot 150:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0955 X(o=-0.096,f=-0.57) USER MOD Single : A 72 GLN : amide:sc= -0.0904 X(o=-0.09,f=0) USER MOD Single : A 74 ASN : amide:sc= -1.98 K(o=-2,f=-4.3!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= -0.238 (180deg=-0.843) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 30:sc= -0.0618 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-3.6!) USER MOD Single : A 106 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0307) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.534 19.045 4.904 1.00 14.04 N ATOM 2 CA GLY A 1 1.957 18.606 4.907 1.00 13.85 C ATOM 3 C GLY A 1 2.807 19.387 3.926 1.00 13.29 C ATOM 4 O GLY A 1 3.140 18.890 2.850 1.00 13.45 O ATOM 0 H1 GLY A 1 -0.005 18.480 5.591 1.00 14.04 H new ATOM 0 H2 GLY A 1 0.480 20.051 5.164 1.00 14.04 H new ATOM 0 H3 GLY A 1 0.131 18.911 3.955 1.00 14.04 H new ATOM 0 HA2 GLY A 1 2.367 18.721 5.910 1.00 13.85 H new ATOM 0 HA3 GLY A 1 2.007 17.545 4.662 1.00 13.85 H new ATOM 10 N SER A 2 3.162 20.615 4.297 1.00 12.81 N ATOM 11 CA SER A 2 3.978 21.467 3.440 1.00 12.44 C ATOM 12 C SER A 2 5.046 22.197 4.252 1.00 11.66 C ATOM 13 O SER A 2 4.916 23.387 4.538 1.00 11.62 O ATOM 14 CB SER A 2 3.096 22.480 2.707 1.00 13.00 C ATOM 15 OG SER A 2 2.494 21.898 1.563 1.00 13.39 O ATOM 0 H SER A 2 2.897 21.041 5.185 1.00 12.81 H new ATOM 0 HA SER A 2 4.477 20.832 2.708 1.00 12.44 H new ATOM 0 HB2 SER A 2 2.323 22.849 3.381 1.00 13.00 H new ATOM 0 HB3 SER A 2 3.695 23.340 2.409 1.00 13.00 H new ATOM 0 HG SER A 2 1.934 22.565 1.113 1.00 13.39 H new ATOM 21 N HIS A 3 6.099 21.473 4.620 1.00 11.24 N ATOM 22 CA HIS A 3 7.191 22.051 5.397 1.00 10.68 C ATOM 23 C HIS A 3 8.480 22.080 4.581 1.00 9.83 C ATOM 24 O HIS A 3 9.419 21.333 4.859 1.00 9.74 O ATOM 25 CB HIS A 3 7.402 21.256 6.688 1.00 11.22 C ATOM 26 CG HIS A 3 8.178 22.001 7.730 1.00 11.78 C ATOM 27 ND1 HIS A 3 9.535 21.837 7.922 1.00 12.09 N ATOM 28 CD2 HIS A 3 7.780 22.919 8.644 1.00 12.30 C ATOM 29 CE1 HIS A 3 9.936 22.620 8.908 1.00 12.74 C ATOM 30 NE2 HIS A 3 8.891 23.286 9.362 1.00 12.87 N ATOM 0 H HIS A 3 6.219 20.486 4.393 1.00 11.24 H new ATOM 0 HA HIS A 3 6.923 23.076 5.653 1.00 10.68 H new ATOM 0 HB2 HIS A 3 6.430 20.980 7.098 1.00 11.22 H new ATOM 0 HB3 HIS A 3 7.923 20.328 6.453 1.00 11.22 H new ATOM 0 HD2 HIS A 3 6.776 23.292 8.782 1.00 12.30 H new ATOM 0 HE1 HIS A 3 10.947 22.701 9.279 1.00 12.74 H new ATOM 0 HE2 HIS A 3 8.906 23.964 10.124 1.00 12.87 H new ATOM 39 N MET A 4 8.516 22.948 3.573 1.00 9.43 N ATOM 40 CA MET A 4 9.685 23.079 2.710 1.00 8.83 C ATOM 41 C MET A 4 10.069 21.731 2.107 1.00 8.04 C ATOM 42 O MET A 4 11.247 21.374 2.051 1.00 8.16 O ATOM 43 CB MET A 4 10.862 23.665 3.496 1.00 9.24 C ATOM 44 CG MET A 4 11.204 25.093 3.102 1.00 9.89 C ATOM 45 SD MET A 4 12.402 25.855 4.213 1.00 10.81 S ATOM 46 CE MET A 4 12.441 27.527 3.573 1.00 11.46 C ATOM 0 H MET A 4 7.746 23.573 3.334 1.00 9.43 H new ATOM 0 HA MET A 4 9.434 23.758 1.895 1.00 8.83 H new ATOM 0 HB2 MET A 4 10.628 23.636 4.560 1.00 9.24 H new ATOM 0 HB3 MET A 4 11.739 23.035 3.345 1.00 9.24 H new ATOM 0 HG2 MET A 4 11.601 25.100 2.087 1.00 9.89 H new ATOM 0 HG3 MET A 4 10.293 25.691 3.092 1.00 9.89 H new ATOM 0 HE1 MET A 4 13.140 28.124 4.158 1.00 11.46 H new ATOM 0 HE2 MET A 4 12.762 27.510 2.531 1.00 11.46 H new ATOM 0 HE3 MET A 4 11.445 27.965 3.639 1.00 11.46 H new ATOM 56 N SER A 5 9.060 20.987 1.657 1.00 7.48 N ATOM 57 CA SER A 5 9.274 19.673 1.054 1.00 6.96 C ATOM 58 C SER A 5 9.935 18.714 2.040 1.00 5.97 C ATOM 59 O SER A 5 10.214 19.076 3.184 1.00 5.85 O ATOM 60 CB SER A 5 10.130 19.796 -0.209 1.00 7.28 C ATOM 61 OG SER A 5 9.683 18.903 -1.215 1.00 7.75 O ATOM 0 H SER A 5 8.082 21.274 1.699 1.00 7.48 H new ATOM 0 HA SER A 5 8.298 19.268 0.785 1.00 6.96 H new ATOM 0 HB2 SER A 5 10.089 20.819 -0.582 1.00 7.28 H new ATOM 0 HB3 SER A 5 11.172 19.586 0.032 1.00 7.28 H new ATOM 0 HG SER A 5 10.244 19.001 -2.012 1.00 7.75 H new ATOM 67 N HIS A 6 10.181 17.487 1.589 1.00 5.62 N ATOM 68 CA HIS A 6 10.806 16.472 2.430 1.00 5.03 C ATOM 69 C HIS A 6 12.180 16.087 1.892 1.00 4.34 C ATOM 70 O HIS A 6 12.522 16.403 0.753 1.00 4.70 O ATOM 71 CB HIS A 6 9.915 15.232 2.515 1.00 5.60 C ATOM 72 CG HIS A 6 9.202 15.096 3.825 1.00 6.21 C ATOM 73 ND1 HIS A 6 9.487 14.100 4.737 1.00 6.80 N ATOM 74 CD2 HIS A 6 8.212 15.836 4.377 1.00 6.70 C ATOM 75 CE1 HIS A 6 8.702 14.234 5.791 1.00 7.53 C ATOM 76 NE2 HIS A 6 7.919 15.280 5.598 1.00 7.49 N ATOM 0 H HIS A 6 9.957 17.172 0.645 1.00 5.62 H new ATOM 0 HA HIS A 6 10.932 16.892 3.428 1.00 5.03 H new ATOM 0 HB2 HIS A 6 9.179 15.268 1.712 1.00 5.60 H new ATOM 0 HB3 HIS A 6 10.525 14.344 2.349 1.00 5.60 H new ATOM 0 HD2 HIS A 6 7.740 16.703 3.938 1.00 6.70 H new ATOM 0 HE1 HIS A 6 8.701 13.596 6.663 1.00 7.53 H new ATOM 0 HE2 HIS A 6 7.212 15.620 6.250 1.00 7.49 H new ATOM 85 N LEU A 7 12.962 15.404 2.721 1.00 3.79 N ATOM 86 CA LEU A 7 14.300 14.972 2.333 1.00 3.54 C ATOM 87 C LEU A 7 14.232 13.859 1.293 1.00 3.05 C ATOM 88 O LEU A 7 15.122 13.726 0.451 1.00 3.39 O ATOM 89 CB LEU A 7 15.079 14.491 3.561 1.00 4.07 C ATOM 90 CG LEU A 7 16.230 15.400 4.003 1.00 4.94 C ATOM 91 CD1 LEU A 7 17.285 15.500 2.911 1.00 5.66 C ATOM 92 CD2 LEU A 7 15.709 16.781 4.373 1.00 5.67 C ATOM 0 H LEU A 7 12.692 15.137 3.668 1.00 3.79 H new ATOM 0 HA LEU A 7 14.817 15.825 1.893 1.00 3.54 H new ATOM 0 HB2 LEU A 7 14.383 14.383 4.393 1.00 4.07 H new ATOM 0 HB3 LEU A 7 15.481 13.500 3.351 1.00 4.07 H new ATOM 0 HG LEU A 7 16.694 14.960 4.886 1.00 4.94 H new ATOM 0 HD11 LEU A 7 18.094 16.150 3.245 1.00 5.66 H new ATOM 0 HD12 LEU A 7 17.682 14.508 2.697 1.00 5.66 H new ATOM 0 HD13 LEU A 7 16.836 15.914 2.008 1.00 5.66 H new ATOM 0 HD21 LEU A 7 16.541 17.412 4.684 1.00 5.67 H new ATOM 0 HD22 LEU A 7 15.218 17.228 3.509 1.00 5.67 H new ATOM 0 HD23 LEU A 7 14.994 16.693 5.191 1.00 5.67 H new ATOM 104 N ASP A 8 13.171 13.062 1.356 1.00 2.65 N ATOM 105 CA ASP A 8 12.982 11.958 0.422 1.00 2.38 C ATOM 106 C ASP A 8 12.493 12.468 -0.930 1.00 2.22 C ATOM 107 O ASP A 8 12.000 13.592 -1.038 1.00 2.74 O ATOM 108 CB ASP A 8 11.984 10.947 0.992 1.00 2.57 C ATOM 109 CG ASP A 8 11.956 10.956 2.509 1.00 3.32 C ATOM 110 OD1 ASP A 8 12.953 10.522 3.124 1.00 3.77 O ATOM 111 OD2 ASP A 8 10.937 11.398 3.080 1.00 3.86 O ATOM 0 H ASP A 8 12.427 13.160 2.046 1.00 2.65 H new ATOM 0 HA ASP A 8 13.944 11.466 0.278 1.00 2.38 H new ATOM 0 HB2 ASP A 8 10.987 11.170 0.611 1.00 2.57 H new ATOM 0 HB3 ASP A 8 12.243 9.948 0.642 1.00 2.57 H new ATOM 116 N ASN A 9 12.633 11.636 -1.959 1.00 1.98 N ATOM 117 CA ASN A 9 12.207 12.005 -3.306 1.00 2.16 C ATOM 118 C ASN A 9 12.150 10.780 -4.215 1.00 1.77 C ATOM 119 O ASN A 9 12.892 10.685 -5.193 1.00 2.00 O ATOM 120 CB ASN A 9 13.160 13.049 -3.894 1.00 2.89 C ATOM 121 CG ASN A 9 12.512 13.874 -4.989 1.00 3.63 C ATOM 122 OD1 ASN A 9 11.603 14.663 -4.732 1.00 4.06 O ATOM 123 ND2 ASN A 9 12.980 13.698 -6.219 1.00 4.31 N ATOM 0 H ASN A 9 13.038 10.703 -1.886 1.00 1.98 H new ATOM 0 HA ASN A 9 11.206 12.431 -3.241 1.00 2.16 H new ATOM 0 HB2 ASN A 9 13.504 13.711 -3.099 1.00 2.89 H new ATOM 0 HB3 ASN A 9 14.041 12.548 -4.294 1.00 2.89 H new ATOM 0 HD21 ASN A 9 12.585 14.228 -6.996 1.00 4.31 H new ATOM 0 HD22 ASN A 9 13.735 13.033 -6.387 1.00 4.31 H new ATOM 130 N THR A 10 11.263 9.846 -3.887 1.00 1.51 N ATOM 131 CA THR A 10 11.111 8.628 -4.675 1.00 1.25 C ATOM 132 C THR A 10 10.158 8.849 -5.850 1.00 1.22 C ATOM 133 O THR A 10 10.543 9.431 -6.865 1.00 1.93 O ATOM 134 CB THR A 10 10.602 7.459 -3.811 1.00 1.11 C ATOM 135 OG1 THR A 10 9.719 7.947 -2.793 1.00 1.23 O ATOM 136 CG2 THR A 10 11.763 6.717 -3.166 1.00 1.18 C ATOM 0 H THR A 10 10.639 9.909 -3.082 1.00 1.51 H new ATOM 0 HA THR A 10 12.098 8.372 -5.061 1.00 1.25 H new ATOM 0 HB THR A 10 10.063 6.768 -4.459 1.00 1.11 H new ATOM 0 HG1 THR A 10 9.652 7.285 -2.073 1.00 1.23 H new ATOM 0 HG21 THR A 10 11.379 5.896 -2.561 1.00 1.18 H new ATOM 0 HG22 THR A 10 12.418 6.320 -3.942 1.00 1.18 H new ATOM 0 HG23 THR A 10 12.326 7.402 -2.532 1.00 1.18 H new ATOM 144 N MET A 11 8.917 8.387 -5.711 1.00 0.77 N ATOM 145 CA MET A 11 7.925 8.543 -6.769 1.00 0.68 C ATOM 146 C MET A 11 6.511 8.357 -6.226 1.00 0.61 C ATOM 147 O MET A 11 6.226 7.387 -5.524 1.00 0.63 O ATOM 148 CB MET A 11 8.188 7.548 -7.904 1.00 0.70 C ATOM 149 CG MET A 11 8.196 6.095 -7.459 1.00 0.72 C ATOM 150 SD MET A 11 7.793 4.957 -8.799 1.00 1.23 S ATOM 151 CE MET A 11 6.765 3.767 -7.940 1.00 0.74 C ATOM 0 H MET A 11 8.577 7.904 -4.880 1.00 0.77 H new ATOM 0 HA MET A 11 8.011 9.556 -7.162 1.00 0.68 H new ATOM 0 HB2 MET A 11 7.426 7.678 -8.672 1.00 0.70 H new ATOM 0 HB3 MET A 11 9.148 7.782 -8.364 1.00 0.70 H new ATOM 0 HG2 MET A 11 9.179 5.847 -7.060 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.480 5.963 -6.648 1.00 0.72 H new ATOM 0 HE1 MET A 11 6.437 2.998 -8.639 1.00 0.74 H new ATOM 0 HE2 MET A 11 7.337 3.306 -7.135 1.00 0.74 H new ATOM 0 HE3 MET A 11 5.894 4.273 -7.522 1.00 0.74 H new ATOM 161 N ALA A 12 5.634 9.302 -6.548 1.00 0.57 N ATOM 162 CA ALA A 12 4.246 9.250 -6.104 1.00 0.56 C ATOM 163 C ALA A 12 3.603 7.917 -6.454 1.00 0.48 C ATOM 164 O ALA A 12 3.939 7.293 -7.461 1.00 0.46 O ATOM 165 CB ALA A 12 3.452 10.396 -6.710 1.00 0.62 C ATOM 0 H ALA A 12 5.862 10.117 -7.118 1.00 0.57 H new ATOM 0 HA ALA A 12 4.238 9.351 -5.019 1.00 0.56 H new ATOM 0 HB1 ALA A 12 2.418 10.343 -6.369 1.00 0.62 H new ATOM 0 HB2 ALA A 12 3.888 11.345 -6.399 1.00 0.62 H new ATOM 0 HB3 ALA A 12 3.479 10.323 -7.797 1.00 0.62 H new ATOM 171 N ILE A 13 2.678 7.491 -5.607 1.00 0.46 N ATOM 172 CA ILE A 13 1.966 6.238 -5.798 1.00 0.44 C ATOM 173 C ILE A 13 1.229 6.230 -7.140 1.00 0.43 C ATOM 174 O ILE A 13 0.906 5.171 -7.678 1.00 0.45 O ATOM 175 CB ILE A 13 0.975 6.013 -4.635 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.702 5.394 -3.439 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.196 5.135 -5.056 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.890 5.411 -2.161 1.00 0.58 C ATOM 0 H ILE A 13 2.401 8.004 -4.770 1.00 0.46 H new ATOM 0 HA ILE A 13 2.691 5.424 -5.807 1.00 0.44 H new ATOM 0 HB ILE A 13 0.571 6.983 -4.347 1.00 0.48 H new ATOM 0 HG12 ILE A 13 1.966 4.364 -3.678 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.635 5.932 -3.274 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -0.871 4.999 -4.211 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -0.732 5.612 -5.876 1.00 0.54 H new ATOM 0 HG23 ILE A 13 0.176 4.164 -5.382 1.00 0.54 H new ATOM 0 HD11 ILE A 13 1.468 4.957 -1.356 1.00 0.58 H new ATOM 0 HD12 ILE A 13 0.648 6.441 -1.897 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.032 4.848 -2.308 1.00 0.58 H new ATOM 190 N ARG A 14 0.983 7.422 -7.680 1.00 0.47 N ATOM 191 CA ARG A 14 0.292 7.558 -8.960 1.00 0.53 C ATOM 192 C ARG A 14 1.011 6.779 -10.058 1.00 0.51 C ATOM 193 O ARG A 14 0.434 6.490 -11.107 1.00 0.66 O ATOM 194 CB ARG A 14 0.184 9.034 -9.353 1.00 0.62 C ATOM 195 CG ARG A 14 1.518 9.671 -9.709 1.00 1.28 C ATOM 196 CD ARG A 14 1.335 10.910 -10.568 1.00 1.42 C ATOM 197 NE ARG A 14 0.454 10.663 -11.707 1.00 1.82 N ATOM 198 CZ ARG A 14 0.890 10.368 -12.927 1.00 2.23 C ATOM 199 NH1 ARG A 14 2.192 10.276 -13.167 1.00 2.63 N ATOM 200 NH2 ARG A 14 0.024 10.162 -13.909 1.00 2.82 N ATOM 0 H ARG A 14 1.252 8.307 -7.251 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.710 7.145 -8.845 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -0.491 9.126 -10.204 1.00 0.62 H new ATOM 0 HB3 ARG A 14 -0.265 9.588 -8.529 1.00 0.62 H new ATOM 0 HG2 ARG A 14 2.050 9.936 -8.796 1.00 1.28 H new ATOM 0 HG3 ARG A 14 2.137 8.948 -10.240 1.00 1.28 H new ATOM 0 HD2 ARG A 14 0.923 11.715 -9.959 1.00 1.42 H new ATOM 0 HD3 ARG A 14 2.307 11.248 -10.928 1.00 1.42 H new ATOM 0 HE ARG A 14 -0.553 10.720 -11.557 1.00 1.82 H new ATOM 0 HH11 ARG A 14 2.862 10.432 -12.414 1.00 2.63 H new ATOM 0 HH12 ARG A 14 2.523 10.049 -14.105 1.00 2.63 H new ATOM 0 HH21 ARG A 14 -0.978 10.230 -13.728 1.00 2.82 H new ATOM 0 HH22 ARG A 14 0.359 9.936 -14.845 1.00 2.82 H new ATOM 214 N LEU A 15 2.274 6.446 -9.810 1.00 0.43 N ATOM 215 CA LEU A 15 3.074 5.704 -10.771 1.00 0.46 C ATOM 216 C LEU A 15 2.995 4.211 -10.487 1.00 0.42 C ATOM 217 O LEU A 15 3.134 3.394 -11.395 1.00 0.44 O ATOM 218 CB LEU A 15 4.529 6.172 -10.724 1.00 0.54 C ATOM 219 CG LEU A 15 5.256 6.155 -12.069 1.00 0.64 C ATOM 220 CD1 LEU A 15 6.276 7.279 -12.141 1.00 1.44 C ATOM 221 CD2 LEU A 15 5.923 4.807 -12.291 1.00 1.51 C ATOM 0 H LEU A 15 2.765 6.681 -8.947 1.00 0.43 H new ATOM 0 HA LEU A 15 2.677 5.891 -11.769 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.556 7.186 -10.326 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.076 5.540 -10.024 1.00 0.54 H new ATOM 0 HG LEU A 15 4.524 6.312 -12.861 1.00 0.64 H new ATOM 0 HD11 LEU A 15 6.782 7.250 -13.106 1.00 1.44 H new ATOM 0 HD12 LEU A 15 5.770 8.238 -12.026 1.00 1.44 H new ATOM 0 HD13 LEU A 15 7.008 7.157 -11.343 1.00 1.44 H new ATOM 0 HD21 LEU A 15 6.437 4.809 -13.252 1.00 1.51 H new ATOM 0 HD22 LEU A 15 6.644 4.622 -11.495 1.00 1.51 H new ATOM 0 HD23 LEU A 15 5.167 4.022 -12.285 1.00 1.51 H new ATOM 233 N LEU A 16 2.770 3.868 -9.217 1.00 0.38 N ATOM 234 CA LEU A 16 2.660 2.472 -8.803 1.00 0.38 C ATOM 235 C LEU A 16 1.675 1.727 -9.702 1.00 0.36 C ATOM 236 O LEU A 16 0.462 1.895 -9.573 1.00 0.35 O ATOM 237 CB LEU A 16 2.204 2.384 -7.341 1.00 0.39 C ATOM 238 CG LEU A 16 2.876 1.289 -6.507 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.589 -0.087 -7.088 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.376 1.529 -6.416 1.00 0.93 C ATOM 0 H LEU A 16 2.661 4.541 -8.458 1.00 0.38 H new ATOM 0 HA LEU A 16 3.641 2.007 -8.895 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.388 3.346 -6.862 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.126 2.220 -7.324 1.00 0.39 H new ATOM 0 HG LEU A 16 2.460 1.326 -5.500 1.00 0.67 H new ATOM 0 HD11 LEU A 16 3.077 -0.848 -6.479 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.513 -0.262 -7.095 1.00 0.92 H new ATOM 0 HD13 LEU A 16 2.971 -0.138 -8.107 1.00 0.92 H new ATOM 0 HD21 LEU A 16 4.835 0.741 -5.820 1.00 0.93 H new ATOM 0 HD22 LEU A 16 4.807 1.524 -7.417 1.00 0.93 H new ATOM 0 HD23 LEU A 16 4.562 2.495 -5.946 1.00 0.93 H new ATOM 252 N PRO A 17 2.183 0.893 -10.627 1.00 0.38 N ATOM 253 CA PRO A 17 1.339 0.139 -11.561 1.00 0.40 C ATOM 254 C PRO A 17 0.440 -0.871 -10.856 1.00 0.35 C ATOM 255 O PRO A 17 0.912 -1.718 -10.097 1.00 0.35 O ATOM 256 CB PRO A 17 2.352 -0.570 -12.471 1.00 0.46 C ATOM 257 CG PRO A 17 3.627 0.177 -12.275 1.00 0.48 C ATOM 258 CD PRO A 17 3.611 0.612 -10.845 1.00 0.43 C ATOM 0 HA PRO A 17 0.651 0.790 -12.101 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.462 -1.619 -12.198 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.034 -0.543 -13.513 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.490 -0.455 -12.485 1.00 0.48 H new ATOM 0 HG3 PRO A 17 3.689 1.033 -12.946 1.00 0.48 H new ATOM 0 HD2 PRO A 17 3.980 -0.167 -10.177 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.230 1.494 -10.680 1.00 0.43 H new ATOM 266 N LEU A 18 -0.861 -0.770 -11.116 1.00 0.40 N ATOM 267 CA LEU A 18 -1.843 -1.665 -10.512 1.00 0.41 C ATOM 268 C LEU A 18 -1.637 -3.120 -10.952 1.00 0.36 C ATOM 269 O LEU A 18 -1.676 -4.022 -10.117 1.00 0.37 O ATOM 270 CB LEU A 18 -3.263 -1.210 -10.855 1.00 0.51 C ATOM 271 CG LEU A 18 -3.957 -0.389 -9.767 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.964 0.571 -10.380 1.00 1.36 C ATOM 273 CD2 LEU A 18 -4.638 -1.305 -8.762 1.00 1.64 C ATOM 0 H LEU A 18 -1.261 -0.073 -11.744 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.702 -1.621 -9.432 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.228 -0.618 -11.770 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.869 -2.090 -11.068 1.00 0.51 H new ATOM 0 HG LEU A 18 -3.200 0.196 -9.244 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.447 1.146 -9.589 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -4.451 1.250 -11.061 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -5.717 0.006 -10.930 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -5.127 -0.704 -7.995 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -5.382 -1.916 -9.273 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -3.894 -1.952 -8.297 1.00 1.64 H new ATOM 285 N PRO A 19 -1.425 -3.377 -12.264 1.00 0.36 N ATOM 286 CA PRO A 19 -1.219 -4.738 -12.775 1.00 0.41 C ATOM 287 C PRO A 19 -0.267 -5.557 -11.909 1.00 0.39 C ATOM 288 O PRO A 19 -0.436 -6.768 -11.759 1.00 0.44 O ATOM 289 CB PRO A 19 -0.612 -4.499 -14.155 1.00 0.49 C ATOM 290 CG PRO A 19 -1.193 -3.202 -14.598 1.00 0.59 C ATOM 291 CD PRO A 19 -1.380 -2.375 -13.353 1.00 0.40 C ATOM 0 HA PRO A 19 -2.145 -5.312 -12.787 1.00 0.41 H new ATOM 0 HB2 PRO A 19 0.476 -4.451 -14.107 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -0.866 -5.304 -14.845 1.00 0.49 H new ATOM 0 HG2 PRO A 19 -0.530 -2.700 -15.303 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -2.143 -3.356 -15.109 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -0.560 -1.671 -13.214 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.299 -1.790 -13.396 1.00 0.40 H new ATOM 299 N VAL A 20 0.732 -4.891 -11.339 1.00 0.38 N ATOM 300 CA VAL A 20 1.708 -5.559 -10.484 1.00 0.44 C ATOM 301 C VAL A 20 1.214 -5.631 -9.045 1.00 0.42 C ATOM 302 O VAL A 20 1.331 -6.665 -8.386 1.00 0.46 O ATOM 303 CB VAL A 20 3.069 -4.839 -10.510 1.00 0.51 C ATOM 304 CG1 VAL A 20 4.183 -5.785 -10.089 1.00 0.65 C ATOM 305 CG2 VAL A 20 3.343 -4.261 -11.889 1.00 0.56 C ATOM 0 H VAL A 20 0.887 -3.889 -11.453 1.00 0.38 H new ATOM 0 HA VAL A 20 1.834 -6.568 -10.877 1.00 0.44 H new ATOM 0 HB VAL A 20 3.035 -4.015 -9.797 1.00 0.51 H new ATOM 0 HG11 VAL A 20 5.137 -5.258 -10.114 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.993 -6.144 -9.077 1.00 0.65 H new ATOM 0 HG13 VAL A 20 4.219 -6.632 -10.774 1.00 0.65 H new ATOM 0 HG21 VAL A 20 4.309 -3.756 -11.887 1.00 0.56 H new ATOM 0 HG22 VAL A 20 3.355 -5.065 -12.625 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.561 -3.546 -12.146 1.00 0.56 H new ATOM 315 N ARG A 21 0.663 -4.522 -8.565 1.00 0.42 N ATOM 316 CA ARG A 21 0.144 -4.445 -7.204 1.00 0.46 C ATOM 317 C ARG A 21 -0.952 -5.480 -6.981 1.00 0.39 C ATOM 318 O ARG A 21 -1.190 -5.916 -5.855 1.00 0.38 O ATOM 319 CB ARG A 21 -0.413 -3.048 -6.937 1.00 0.54 C ATOM 320 CG ARG A 21 -0.740 -2.793 -5.476 1.00 1.17 C ATOM 321 CD ARG A 21 -0.136 -1.485 -4.989 1.00 0.77 C ATOM 322 NE ARG A 21 0.793 -1.690 -3.881 1.00 1.75 N ATOM 323 CZ ARG A 21 0.423 -2.104 -2.673 1.00 2.57 C ATOM 324 NH1 ARG A 21 -0.853 -2.360 -2.416 1.00 2.82 N ATOM 325 NH2 ARG A 21 1.330 -2.264 -1.719 1.00 3.62 N ATOM 0 H ARG A 21 0.564 -3.660 -9.101 1.00 0.42 H new ATOM 0 HA ARG A 21 0.963 -4.651 -6.515 1.00 0.46 H new ATOM 0 HB2 ARG A 21 0.312 -2.307 -7.273 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.315 -2.905 -7.533 1.00 0.54 H new ATOM 0 HG2 ARG A 21 -1.822 -2.767 -5.343 1.00 1.17 H new ATOM 0 HG3 ARG A 21 -0.364 -3.617 -4.869 1.00 1.17 H new ATOM 0 HD2 ARG A 21 0.385 -0.997 -5.813 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.934 -0.813 -4.673 1.00 0.77 H new ATOM 0 HE ARG A 21 1.783 -1.505 -4.043 1.00 1.75 H new ATOM 0 HH11 ARG A 21 -1.555 -2.239 -3.147 1.00 2.82 H new ATOM 0 HH12 ARG A 21 -1.133 -2.677 -1.488 1.00 2.82 H new ATOM 0 HH21 ARG A 21 2.313 -2.069 -1.912 1.00 3.62 H new ATOM 0 HH22 ARG A 21 1.045 -2.582 -0.793 1.00 3.62 H new ATOM 339 N ALA A 22 -1.614 -5.862 -8.065 1.00 0.40 N ATOM 340 CA ALA A 22 -2.696 -6.837 -8.004 1.00 0.40 C ATOM 341 C ALA A 22 -2.228 -8.154 -7.396 1.00 0.35 C ATOM 342 O ALA A 22 -3.003 -8.861 -6.751 1.00 0.37 O ATOM 343 CB ALA A 22 -3.265 -7.063 -9.393 1.00 0.48 C ATOM 0 H ALA A 22 -1.420 -5.510 -9.002 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.478 -6.438 -7.357 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.073 -7.793 -9.341 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -3.650 -6.122 -9.786 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -2.481 -7.437 -10.051 1.00 0.48 H new ATOM 349 N GLN A 23 -0.956 -8.478 -7.604 1.00 0.36 N ATOM 350 CA GLN A 23 -0.383 -9.712 -7.076 1.00 0.39 C ATOM 351 C GLN A 23 -0.294 -9.665 -5.554 1.00 0.34 C ATOM 352 O GLN A 23 -0.325 -10.700 -4.889 1.00 0.42 O ATOM 353 CB GLN A 23 1.006 -9.947 -7.672 1.00 0.49 C ATOM 354 CG GLN A 23 1.370 -11.416 -7.807 1.00 0.96 C ATOM 355 CD GLN A 23 2.516 -11.821 -6.901 1.00 1.44 C ATOM 356 OE1 GLN A 23 3.566 -11.178 -6.885 1.00 2.14 O ATOM 357 NE2 GLN A 23 2.319 -12.890 -6.141 1.00 2.10 N ATOM 0 H GLN A 23 -0.302 -7.903 -8.135 1.00 0.36 H new ATOM 0 HA GLN A 23 -1.038 -10.537 -7.357 1.00 0.39 H new ATOM 0 HB2 GLN A 23 1.055 -9.478 -8.655 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.749 -9.453 -7.046 1.00 0.49 H new ATOM 0 HG2 GLN A 23 0.496 -12.025 -7.575 1.00 0.96 H new ATOM 0 HG3 GLN A 23 1.639 -11.626 -8.842 1.00 0.96 H new ATOM 0 HE21 GLN A 23 1.432 -13.392 -6.187 1.00 2.10 H new ATOM 0 HE22 GLN A 23 3.054 -13.210 -5.510 1.00 2.10 H new ATOM 366 N LEU A 24 -0.185 -8.457 -5.009 1.00 0.29 N ATOM 367 CA LEU A 24 -0.089 -8.275 -3.565 1.00 0.30 C ATOM 368 C LEU A 24 -1.473 -8.162 -2.936 1.00 0.30 C ATOM 369 O LEU A 24 -1.695 -8.629 -1.819 1.00 0.31 O ATOM 370 CB LEU A 24 0.741 -7.032 -3.237 1.00 0.38 C ATOM 371 CG LEU A 24 0.944 -6.764 -1.745 1.00 0.43 C ATOM 372 CD1 LEU A 24 1.745 -7.886 -1.103 1.00 1.51 C ATOM 373 CD2 LEU A 24 1.637 -5.427 -1.535 1.00 1.40 C ATOM 0 H LEU A 24 -0.161 -7.590 -5.546 1.00 0.29 H new ATOM 0 HA LEU A 24 0.407 -9.151 -3.147 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.718 -7.132 -3.709 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.258 -6.163 -3.684 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.035 -6.725 -1.267 1.00 0.43 H new ATOM 0 HD11 LEU A 24 1.879 -7.677 -0.042 1.00 1.51 H new ATOM 0 HD12 LEU A 24 1.211 -8.829 -1.222 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.720 -7.958 -1.584 1.00 1.51 H new ATOM 0 HD21 LEU A 24 1.774 -5.252 -0.468 1.00 1.40 H new ATOM 0 HD22 LEU A 24 2.609 -5.440 -2.028 1.00 1.40 H new ATOM 0 HD23 LEU A 24 1.026 -4.630 -1.958 1.00 1.40 H new ATOM 385 N CYS A 25 -2.402 -7.539 -3.656 1.00 0.34 N ATOM 386 CA CYS A 25 -3.762 -7.372 -3.159 1.00 0.39 C ATOM 387 C CYS A 25 -4.401 -8.731 -2.897 1.00 0.39 C ATOM 388 O CYS A 25 -5.073 -8.930 -1.885 1.00 0.42 O ATOM 389 CB CYS A 25 -4.605 -6.580 -4.161 1.00 0.47 C ATOM 390 SG CYS A 25 -4.098 -4.855 -4.353 1.00 0.55 S ATOM 0 H CYS A 25 -2.238 -7.143 -4.582 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.720 -6.816 -2.222 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.554 -7.073 -5.132 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.648 -6.608 -3.844 1.00 0.47 H new ATOM 0 HG CYS A 25 -2.946 -4.806 -4.952 1.00 0.55 H new ATOM 396 N ALA A 26 -4.183 -9.662 -3.821 1.00 0.40 N ATOM 397 CA ALA A 26 -4.723 -11.009 -3.698 1.00 0.45 C ATOM 398 C ALA A 26 -4.187 -11.703 -2.451 1.00 0.42 C ATOM 399 O ALA A 26 -4.923 -12.393 -1.745 1.00 0.46 O ATOM 400 CB ALA A 26 -4.383 -11.821 -4.937 1.00 0.52 C ATOM 0 H ALA A 26 -3.634 -9.506 -4.666 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.806 -10.935 -3.605 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.791 -12.827 -4.836 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.814 -11.341 -5.816 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.300 -11.878 -5.049 1.00 0.52 H new ATOM 406 N HIS A 27 -2.897 -11.517 -2.192 1.00 0.37 N ATOM 407 CA HIS A 27 -2.250 -12.121 -1.033 1.00 0.37 C ATOM 408 C HIS A 27 -2.894 -11.647 0.267 1.00 0.38 C ATOM 409 O HIS A 27 -3.292 -12.455 1.105 1.00 0.44 O ATOM 410 CB HIS A 27 -0.758 -11.782 -1.037 1.00 0.37 C ATOM 411 CG HIS A 27 -0.065 -12.085 0.258 1.00 0.42 C ATOM 412 ND1 HIS A 27 -0.244 -13.265 0.949 1.00 0.62 N ATOM 413 CD2 HIS A 27 0.810 -11.352 0.988 1.00 0.55 C ATOM 414 CE1 HIS A 27 0.491 -13.245 2.048 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.139 -12.096 2.094 1.00 0.68 N ATOM 0 H HIS A 27 -2.277 -10.951 -2.771 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.375 -13.202 -1.095 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.271 -12.338 -1.838 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.636 -10.723 -1.264 1.00 0.37 H new ATOM 0 HD2 HIS A 27 1.180 -10.367 0.745 1.00 0.55 H new ATOM 0 HE1 HIS A 27 0.551 -14.034 2.783 1.00 0.72 H new ATOM 0 HE2 HIS A 27 1.781 -11.807 2.832 1.00 0.68 H new ATOM 424 N LEU A 28 -2.990 -10.332 0.425 1.00 0.37 N ATOM 425 CA LEU A 28 -3.576 -9.743 1.625 1.00 0.45 C ATOM 426 C LEU A 28 -5.023 -10.186 1.813 1.00 0.49 C ATOM 427 O LEU A 28 -5.540 -10.187 2.931 1.00 0.51 O ATOM 428 CB LEU A 28 -3.497 -8.216 1.554 1.00 0.51 C ATOM 429 CG LEU A 28 -2.156 -7.611 1.985 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.913 -7.850 3.468 1.00 1.09 C ATOM 431 CD2 LEU A 28 -1.011 -8.182 1.158 1.00 0.99 C ATOM 0 H LEU A 28 -2.669 -9.652 -0.264 1.00 0.37 H new ATOM 0 HA LEU A 28 -3.004 -10.093 2.484 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.706 -7.905 0.530 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -4.284 -7.798 2.181 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.198 -6.536 1.810 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -0.956 -7.413 3.755 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -2.712 -7.386 4.047 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -1.897 -8.922 3.666 1.00 1.09 H new ATOM 0 HD21 LEU A 28 -0.070 -7.737 1.483 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.967 -9.263 1.294 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.175 -7.955 0.104 1.00 0.99 H new ATOM 443 N ASP A 29 -5.674 -10.561 0.716 1.00 0.60 N ATOM 444 CA ASP A 29 -7.062 -11.006 0.766 1.00 0.69 C ATOM 445 C ASP A 29 -7.197 -12.265 1.617 1.00 0.57 C ATOM 446 O ASP A 29 -8.214 -12.473 2.279 1.00 0.55 O ATOM 447 CB ASP A 29 -7.589 -11.271 -0.645 1.00 0.94 C ATOM 448 CG ASP A 29 -8.633 -10.258 -1.072 1.00 0.97 C ATOM 449 OD1 ASP A 29 -8.260 -9.097 -1.339 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.825 -10.627 -1.139 1.00 1.12 O ATOM 0 H ASP A 29 -5.263 -10.565 -0.217 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.655 -10.213 1.222 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -6.758 -11.251 -1.350 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -8.019 -12.272 -0.687 1.00 0.94 H new ATOM 455 N ALA A 30 -6.163 -13.100 1.595 1.00 0.56 N ATOM 456 CA ALA A 30 -6.163 -14.337 2.366 1.00 0.58 C ATOM 457 C ALA A 30 -6.098 -14.048 3.861 1.00 0.46 C ATOM 458 O ALA A 30 -6.826 -14.647 4.652 1.00 0.54 O ATOM 459 CB ALA A 30 -4.998 -15.221 1.945 1.00 0.68 C ATOM 0 H ALA A 30 -5.315 -12.942 1.051 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.095 -14.865 2.164 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -5.010 -16.141 2.529 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.088 -15.462 0.886 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.060 -14.694 2.118 1.00 0.68 H new ATOM 465 N LEU A 31 -5.221 -13.124 4.241 1.00 0.37 N ATOM 466 CA LEU A 31 -5.061 -12.750 5.642 1.00 0.40 C ATOM 467 C LEU A 31 -6.264 -11.951 6.130 1.00 0.40 C ATOM 468 O LEU A 31 -6.511 -11.858 7.333 1.00 0.45 O ATOM 469 CB LEU A 31 -3.779 -11.935 5.831 1.00 0.45 C ATOM 470 CG LEU A 31 -2.713 -12.601 6.702 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.324 -12.252 6.198 1.00 1.10 C ATOM 472 CD2 LEU A 31 -2.877 -12.182 8.155 1.00 1.16 C ATOM 0 H LEU A 31 -4.610 -12.620 3.598 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.991 -13.664 6.232 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.349 -11.729 4.851 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.039 -10.973 6.273 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.839 -13.682 6.640 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -0.577 -12.734 6.828 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -1.211 -12.600 5.171 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.185 -11.171 6.232 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -2.111 -12.665 8.762 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -2.775 -11.100 8.235 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -3.863 -12.481 8.511 1.00 1.16 H new ATOM 484 N ASP A 32 -7.009 -11.380 5.187 1.00 0.40 N ATOM 485 CA ASP A 32 -8.191 -10.585 5.510 1.00 0.46 C ATOM 486 C ASP A 32 -7.861 -9.506 6.537 1.00 0.46 C ATOM 487 O ASP A 32 -8.232 -9.612 7.706 1.00 0.57 O ATOM 488 CB ASP A 32 -9.312 -11.484 6.037 1.00 0.52 C ATOM 489 CG ASP A 32 -10.656 -10.783 6.048 1.00 1.20 C ATOM 490 OD1 ASP A 32 -11.029 -10.198 5.010 1.00 1.57 O ATOM 491 OD2 ASP A 32 -11.337 -10.820 7.094 1.00 2.03 O ATOM 0 H ASP A 32 -6.814 -11.454 4.189 1.00 0.40 H new ATOM 0 HA ASP A 32 -8.528 -10.097 4.595 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -9.377 -12.380 5.419 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -9.067 -11.811 7.048 1.00 0.52 H new ATOM 496 N VAL A 33 -7.160 -8.469 6.092 1.00 0.42 N ATOM 497 CA VAL A 33 -6.782 -7.369 6.971 1.00 0.43 C ATOM 498 C VAL A 33 -6.992 -6.021 6.289 1.00 0.42 C ATOM 499 O VAL A 33 -6.321 -5.041 6.612 1.00 0.52 O ATOM 500 CB VAL A 33 -5.311 -7.485 7.416 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.103 -8.735 8.260 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.384 -7.487 6.210 1.00 0.50 C ATOM 0 H VAL A 33 -6.842 -8.367 5.128 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.425 -7.431 7.849 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.069 -6.617 8.029 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.058 -8.799 8.564 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -5.737 -8.686 9.146 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.365 -9.617 7.675 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.350 -7.570 6.546 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -4.625 -8.333 5.567 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.511 -6.559 5.652 1.00 0.50 H new ATOM 512 N TRP A 34 -7.928 -5.977 5.345 1.00 0.39 N ATOM 513 CA TRP A 34 -8.221 -4.746 4.620 1.00 0.38 C ATOM 514 C TRP A 34 -8.827 -3.698 5.547 1.00 0.33 C ATOM 515 O TRP A 34 -8.550 -2.506 5.417 1.00 0.34 O ATOM 516 CB TRP A 34 -9.165 -5.024 3.447 1.00 0.40 C ATOM 517 CG TRP A 34 -10.526 -5.494 3.865 1.00 0.39 C ATOM 518 CD1 TRP A 34 -10.905 -6.779 4.132 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.691 -4.684 4.057 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.234 -6.816 4.479 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.738 -5.543 4.440 1.00 0.44 C ATOM 522 CE3 TRP A 34 -11.950 -3.315 3.942 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -14.024 -5.077 4.711 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.226 -2.853 4.209 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.248 -3.732 4.591 1.00 0.50 C ATOM 0 H TRP A 34 -8.495 -6.778 5.065 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.282 -4.355 4.228 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.271 -4.115 2.854 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -8.714 -5.776 2.800 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -10.255 -7.640 4.078 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -12.760 -7.655 4.725 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.168 -2.630 3.650 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -14.814 -5.752 5.005 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.438 -1.798 4.122 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.233 -3.340 4.795 1.00 0.50 H new ATOM 536 N GLN A 35 -9.655 -4.151 6.482 1.00 0.32 N ATOM 537 CA GLN A 35 -10.297 -3.252 7.435 1.00 0.33 C ATOM 538 C GLN A 35 -9.257 -2.565 8.311 1.00 0.32 C ATOM 539 O GLN A 35 -9.409 -1.400 8.676 1.00 0.35 O ATOM 540 CB GLN A 35 -11.292 -4.019 8.307 1.00 0.38 C ATOM 541 CG GLN A 35 -12.531 -3.217 8.664 1.00 1.12 C ATOM 542 CD GLN A 35 -13.659 -4.087 9.182 1.00 1.61 C ATOM 543 OE1 GLN A 35 -14.621 -4.367 8.466 1.00 2.15 O ATOM 544 NE2 GLN A 35 -13.547 -4.518 10.432 1.00 2.32 N ATOM 0 H GLN A 35 -9.897 -5.135 6.601 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.837 -2.490 6.873 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.595 -4.927 7.786 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.793 -4.330 9.225 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.274 -2.474 9.419 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -12.872 -2.672 7.784 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -12.732 -4.261 10.989 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -14.276 -5.106 10.836 1.00 2.32 H new ATOM 553 N GLN A 36 -8.200 -3.298 8.645 1.00 0.33 N ATOM 554 CA GLN A 36 -7.131 -2.760 9.478 1.00 0.38 C ATOM 555 C GLN A 36 -6.303 -1.748 8.700 1.00 0.37 C ATOM 556 O GLN A 36 -5.741 -0.820 9.278 1.00 0.46 O ATOM 557 CB GLN A 36 -6.236 -3.890 9.991 1.00 0.45 C ATOM 558 CG GLN A 36 -6.789 -4.591 11.221 1.00 1.54 C ATOM 559 CD GLN A 36 -6.634 -6.098 11.154 1.00 2.38 C ATOM 560 OE1 GLN A 36 -7.062 -6.688 10.043 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -6.136 -6.725 12.090 1.00 2.41 N flip ATOM 0 H GLN A 36 -8.061 -4.265 8.352 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.583 -2.255 10.331 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -6.098 -4.623 9.196 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -5.251 -3.485 10.225 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -6.278 -4.216 12.108 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -7.845 -4.343 11.332 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -5.821 -6.231 12.925 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -6.039 -7.739 12.030 1.00 2.41 H new ATOM 570 N LEU A 37 -6.233 -1.934 7.385 1.00 0.37 N ATOM 571 CA LEU A 37 -5.479 -1.028 6.528 1.00 0.40 C ATOM 572 C LEU A 37 -6.108 0.360 6.536 1.00 0.38 C ATOM 573 O LEU A 37 -5.458 1.345 6.890 1.00 0.42 O ATOM 574 CB LEU A 37 -5.423 -1.572 5.098 1.00 0.43 C ATOM 575 CG LEU A 37 -4.432 -2.716 4.879 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.822 -3.535 3.659 1.00 0.49 C ATOM 577 CD2 LEU A 37 -3.018 -2.174 4.728 1.00 0.65 C ATOM 0 H LEU A 37 -6.688 -2.702 6.892 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.463 -0.953 6.915 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.419 -1.915 4.817 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -5.166 -0.755 4.424 1.00 0.43 H new ATOM 0 HG LEU A 37 -4.460 -3.367 5.753 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.105 -4.344 3.520 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.818 -3.954 3.805 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -4.823 -2.895 2.777 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.326 -3.002 4.573 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -2.976 -1.501 3.872 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.738 -1.631 5.631 1.00 0.65 H new ATOM 589 N ALA A 38 -7.375 0.430 6.137 1.00 0.36 N ATOM 590 CA ALA A 38 -8.106 1.692 6.103 1.00 0.37 C ATOM 591 C ALA A 38 -7.998 2.430 7.436 1.00 0.36 C ATOM 592 O ALA A 38 -7.575 3.585 7.484 1.00 0.41 O ATOM 593 CB ALA A 38 -9.565 1.446 5.752 1.00 0.39 C ATOM 0 H ALA A 38 -7.919 -0.377 5.831 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.658 2.321 5.334 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.099 2.396 5.730 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.629 0.971 4.773 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -10.015 0.794 6.501 1.00 0.39 H new ATOM 599 N THR A 39 -8.391 1.755 8.512 1.00 0.33 N ATOM 600 CA THR A 39 -8.349 2.342 9.848 1.00 0.36 C ATOM 601 C THR A 39 -6.927 2.720 10.255 1.00 0.37 C ATOM 602 O THR A 39 -6.722 3.694 10.979 1.00 0.40 O ATOM 603 CB THR A 39 -8.933 1.386 10.903 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.999 0.618 10.332 1.00 0.36 O ATOM 605 CG2 THR A 39 -9.449 2.160 12.108 1.00 0.51 C ATOM 0 H THR A 39 -8.743 0.798 8.485 1.00 0.33 H new ATOM 0 HA THR A 39 -8.958 3.245 9.805 1.00 0.36 H new ATOM 0 HB THR A 39 -8.139 0.716 11.233 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.636 -0.203 9.938 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.857 1.463 12.840 1.00 0.51 H new ATOM 0 HG22 THR A 39 -8.630 2.721 12.558 1.00 0.51 H new ATOM 0 HG23 THR A 39 -10.230 2.851 11.790 1.00 0.51 H new ATOM 613 N ALA A 40 -5.947 1.943 9.796 1.00 0.38 N ATOM 614 CA ALA A 40 -4.548 2.210 10.120 1.00 0.43 C ATOM 615 C ALA A 40 -4.162 3.637 9.748 1.00 0.42 C ATOM 616 O ALA A 40 -3.430 4.305 10.480 1.00 0.47 O ATOM 617 CB ALA A 40 -3.636 1.218 9.412 1.00 0.47 C ATOM 0 H ALA A 40 -6.095 1.128 9.202 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.426 2.092 11.197 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.598 1.433 9.666 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.885 0.205 9.729 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.771 1.305 8.334 1.00 0.47 H new ATOM 623 N VAL A 41 -4.661 4.100 8.606 1.00 0.38 N ATOM 624 CA VAL A 41 -4.379 5.452 8.141 1.00 0.40 C ATOM 625 C VAL A 41 -5.584 6.358 8.366 1.00 0.41 C ATOM 626 O VAL A 41 -5.581 7.525 7.970 1.00 0.47 O ATOM 627 CB VAL A 41 -4.001 5.468 6.647 1.00 0.42 C ATOM 628 CG1 VAL A 41 -2.642 4.821 6.433 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.068 4.771 5.817 1.00 0.45 C ATOM 0 H VAL A 41 -5.263 3.558 7.986 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.532 5.823 8.718 1.00 0.40 H new ATOM 0 HB VAL A 41 -3.940 6.506 6.319 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.392 4.842 5.372 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -1.886 5.369 6.995 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -2.673 3.788 6.779 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -4.783 4.793 4.765 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.166 3.736 6.145 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.021 5.284 5.945 1.00 0.45 H new ATOM 639 N LYS A 42 -6.609 5.805 9.011 1.00 0.38 N ATOM 640 CA LYS A 42 -7.837 6.539 9.308 1.00 0.41 C ATOM 641 C LYS A 42 -8.535 6.994 8.031 1.00 0.43 C ATOM 642 O LYS A 42 -8.051 7.877 7.324 1.00 0.53 O ATOM 643 CB LYS A 42 -7.544 7.749 10.199 1.00 0.51 C ATOM 644 CG LYS A 42 -8.472 7.860 11.402 1.00 0.77 C ATOM 645 CD LYS A 42 -9.936 7.939 10.985 1.00 1.05 C ATOM 646 CE LYS A 42 -10.395 9.376 10.784 1.00 1.32 C ATOM 647 NZ LYS A 42 -9.254 10.308 10.565 1.00 2.14 N ATOM 0 H LYS A 42 -6.612 4.840 9.341 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.503 5.859 9.840 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.514 7.690 10.550 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -7.626 8.657 9.602 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -8.326 6.999 12.054 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -8.211 8.746 11.981 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -10.080 7.380 10.061 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -10.556 7.464 11.745 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -11.069 9.424 9.929 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -10.963 9.699 11.656 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -9.618 11.262 10.366 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -8.660 10.335 11.418 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -8.687 9.979 9.758 1.00 2.14 H new ATOM 661 N LEU A 43 -9.683 6.386 7.746 1.00 0.41 N ATOM 662 CA LEU A 43 -10.456 6.732 6.560 1.00 0.49 C ATOM 663 C LEU A 43 -11.924 6.942 6.913 1.00 0.49 C ATOM 664 O LEU A 43 -12.414 6.418 7.913 1.00 0.52 O ATOM 665 CB LEU A 43 -10.325 5.637 5.502 1.00 0.56 C ATOM 666 CG LEU A 43 -9.417 5.983 4.320 1.00 0.63 C ATOM 667 CD1 LEU A 43 -8.765 4.727 3.763 1.00 0.78 C ATOM 668 CD2 LEU A 43 -10.206 6.700 3.235 1.00 1.03 C ATOM 0 H LEU A 43 -10.097 5.652 8.320 1.00 0.41 H new ATOM 0 HA LEU A 43 -10.060 7.664 6.157 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -9.945 4.734 5.980 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.318 5.401 5.120 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.631 6.651 4.673 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -8.123 4.992 2.923 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.167 4.252 4.541 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -9.537 4.035 3.425 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -9.545 6.939 2.402 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -11.012 6.055 2.885 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -10.627 7.621 3.639 1.00 1.03 H new ATOM 680 N TYR A 44 -12.622 7.712 6.084 1.00 0.50 N ATOM 681 CA TYR A 44 -14.034 7.992 6.307 1.00 0.53 C ATOM 682 C TYR A 44 -14.877 6.736 6.082 1.00 0.48 C ATOM 683 O TYR A 44 -14.451 5.815 5.384 1.00 0.48 O ATOM 684 CB TYR A 44 -14.503 9.113 5.376 1.00 0.60 C ATOM 685 CG TYR A 44 -14.122 10.496 5.855 1.00 0.74 C ATOM 686 CD1 TYR A 44 -14.769 11.079 6.937 1.00 0.94 C ATOM 687 CD2 TYR A 44 -13.116 11.218 5.226 1.00 0.91 C ATOM 688 CE1 TYR A 44 -14.424 12.342 7.379 1.00 1.14 C ATOM 689 CE2 TYR A 44 -12.765 12.482 5.662 1.00 1.10 C ATOM 690 CZ TYR A 44 -13.422 13.038 6.738 1.00 1.16 C ATOM 691 OH TYR A 44 -13.075 14.296 7.175 1.00 1.41 O ATOM 0 H TYR A 44 -12.231 8.153 5.251 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.161 8.312 7.341 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.080 8.952 4.385 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.587 9.059 5.273 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -15.555 10.536 7.441 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -12.599 10.785 4.382 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -14.937 12.781 8.222 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -11.980 13.031 5.162 1.00 1.10 H new ATOM 0 HH TYR A 44 -12.351 14.648 6.616 1.00 1.41 H new ATOM 701 N PRO A 45 -16.088 6.678 6.671 1.00 0.62 N ATOM 702 CA PRO A 45 -16.982 5.523 6.524 1.00 0.65 C ATOM 703 C PRO A 45 -17.531 5.412 5.109 1.00 0.65 C ATOM 704 O PRO A 45 -17.858 4.322 4.642 1.00 0.70 O ATOM 705 CB PRO A 45 -18.110 5.827 7.510 1.00 0.86 C ATOM 706 CG PRO A 45 -18.132 7.310 7.581 1.00 1.32 C ATOM 707 CD PRO A 45 -16.692 7.730 7.512 1.00 0.87 C ATOM 0 HA PRO A 45 -16.475 4.577 6.715 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -19.063 5.430 7.162 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.917 5.383 8.487 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -18.706 7.735 6.757 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -18.598 7.653 8.505 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.579 8.719 7.067 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -16.234 7.771 8.500 1.00 0.87 H new ATOM 715 N ASP A 46 -17.637 6.551 4.432 1.00 0.67 N ATOM 716 CA ASP A 46 -18.137 6.585 3.065 1.00 0.74 C ATOM 717 C ASP A 46 -17.179 5.855 2.133 1.00 0.69 C ATOM 718 O ASP A 46 -17.595 5.258 1.139 1.00 0.76 O ATOM 719 CB ASP A 46 -18.319 8.032 2.600 1.00 0.89 C ATOM 720 CG ASP A 46 -19.763 8.489 2.687 1.00 1.26 C ATOM 721 OD1 ASP A 46 -20.271 8.639 3.817 1.00 1.77 O ATOM 722 OD2 ASP A 46 -20.385 8.696 1.623 1.00 2.01 O ATOM 0 H ASP A 46 -17.382 7.464 4.810 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.104 6.083 3.039 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -17.696 8.688 3.208 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -17.972 8.127 1.571 1.00 0.89 H new ATOM 727 N GLN A 47 -15.893 5.908 2.465 1.00 0.63 N ATOM 728 CA GLN A 47 -14.867 5.248 1.667 1.00 0.68 C ATOM 729 C GLN A 47 -14.842 3.753 1.967 1.00 0.61 C ATOM 730 O GLN A 47 -14.748 2.930 1.057 1.00 0.65 O ATOM 731 CB GLN A 47 -13.494 5.861 1.947 1.00 0.75 C ATOM 732 CG GLN A 47 -13.498 7.380 1.979 1.00 0.78 C ATOM 733 CD GLN A 47 -13.311 7.993 0.605 1.00 1.21 C ATOM 734 OE1 GLN A 47 -14.188 7.902 -0.254 1.00 1.94 O ATOM 735 NE2 GLN A 47 -12.162 8.623 0.390 1.00 1.56 N ATOM 0 H GLN A 47 -15.537 6.402 3.283 1.00 0.63 H new ATOM 0 HA GLN A 47 -15.106 5.392 0.613 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -13.127 5.487 2.903 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -12.793 5.524 1.183 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -14.440 7.728 2.403 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -12.703 7.728 2.639 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -11.462 8.675 1.130 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -11.979 9.055 -0.516 1.00 1.56 H new ATOM 744 N VAL A 48 -14.928 3.410 3.250 1.00 0.57 N ATOM 745 CA VAL A 48 -14.921 2.013 3.670 1.00 0.57 C ATOM 746 C VAL A 48 -16.134 1.278 3.113 1.00 0.55 C ATOM 747 O VAL A 48 -16.010 0.187 2.557 1.00 0.51 O ATOM 748 CB VAL A 48 -14.911 1.886 5.206 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.849 0.424 5.622 1.00 0.88 C ATOM 750 CG2 VAL A 48 -13.748 2.666 5.800 1.00 0.75 C ATOM 0 H VAL A 48 -15.003 4.080 4.015 1.00 0.57 H new ATOM 0 HA VAL A 48 -14.010 1.562 3.276 1.00 0.57 H new ATOM 0 HB VAL A 48 -15.838 2.310 5.592 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -14.843 0.355 6.710 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -15.719 -0.103 5.230 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -13.941 -0.029 5.225 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -13.758 2.564 6.885 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -12.809 2.275 5.407 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -13.842 3.719 5.534 1.00 0.75 H new ATOM 760 N GLU A 49 -17.308 1.884 3.269 1.00 0.60 N ATOM 761 CA GLU A 49 -18.545 1.294 2.774 1.00 0.63 C ATOM 762 C GLU A 49 -18.473 1.105 1.264 1.00 0.57 C ATOM 763 O GLU A 49 -18.923 0.091 0.731 1.00 0.57 O ATOM 764 CB GLU A 49 -19.741 2.179 3.132 1.00 0.73 C ATOM 765 CG GLU A 49 -20.753 1.501 4.042 1.00 0.87 C ATOM 766 CD GLU A 49 -21.785 2.468 4.588 1.00 1.55 C ATOM 767 OE1 GLU A 49 -21.387 3.535 5.100 1.00 1.73 O ATOM 768 OE2 GLU A 49 -22.992 2.157 4.502 1.00 2.44 O ATOM 0 H GLU A 49 -17.427 2.784 3.735 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.675 0.321 3.247 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.379 3.085 3.618 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.241 2.488 2.214 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -21.259 0.709 3.490 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -20.229 1.027 4.872 1.00 0.87 H new ATOM 775 N GLN A 50 -17.903 2.095 0.581 1.00 0.56 N ATOM 776 CA GLN A 50 -17.760 2.042 -0.870 1.00 0.55 C ATOM 777 C GLN A 50 -16.926 0.836 -1.294 1.00 0.48 C ATOM 778 O GLN A 50 -17.091 0.311 -2.396 1.00 0.56 O ATOM 779 CB GLN A 50 -17.114 3.328 -1.390 1.00 0.59 C ATOM 780 CG GLN A 50 -17.100 3.431 -2.907 1.00 0.91 C ATOM 781 CD GLN A 50 -15.719 3.725 -3.460 1.00 1.33 C ATOM 782 OE1 GLN A 50 -15.376 4.878 -3.722 1.00 2.12 O ATOM 783 NE2 GLN A 50 -14.918 2.682 -3.640 1.00 1.46 N ATOM 0 H GLN A 50 -17.533 2.943 1.010 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.756 1.943 -1.301 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -17.649 4.185 -0.981 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.090 3.386 -1.021 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -17.467 2.498 -3.334 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -17.787 4.217 -3.220 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.243 1.743 -3.409 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -13.977 2.819 -4.009 1.00 1.46 H new ATOM 792 N ILE A 51 -16.029 0.402 -0.413 1.00 0.40 N ATOM 793 CA ILE A 51 -15.169 -0.741 -0.699 1.00 0.38 C ATOM 794 C ILE A 51 -15.887 -2.056 -0.415 1.00 0.41 C ATOM 795 O ILE A 51 -15.999 -2.913 -1.291 1.00 0.47 O ATOM 796 CB ILE A 51 -13.867 -0.686 0.126 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.123 0.624 -0.143 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.978 -1.879 -0.198 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.231 1.058 1.000 1.00 0.42 C ATOM 0 H ILE A 51 -15.879 0.824 0.503 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.919 -0.691 -1.759 1.00 0.38 H new ATOM 0 HB ILE A 51 -14.126 -0.728 1.184 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.518 0.511 -1.043 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.850 1.411 -0.345 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -12.064 -1.823 0.394 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.507 -2.802 0.038 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.725 -1.867 -1.258 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.735 1.993 0.740 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.833 1.204 1.897 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.481 0.290 1.188 1.00 0.42 H new ATOM 811 N SER A 52 -16.370 -2.209 0.816 1.00 0.43 N ATOM 812 CA SER A 52 -17.079 -3.419 1.223 1.00 0.50 C ATOM 813 C SER A 52 -18.220 -3.738 0.262 1.00 0.52 C ATOM 814 O SER A 52 -18.510 -4.903 -0.006 1.00 0.59 O ATOM 815 CB SER A 52 -17.623 -3.261 2.644 1.00 0.57 C ATOM 816 OG SER A 52 -18.421 -2.095 2.758 1.00 1.42 O ATOM 0 H SER A 52 -16.283 -1.507 1.551 1.00 0.43 H new ATOM 0 HA SER A 52 -16.371 -4.247 1.200 1.00 0.50 H new ATOM 0 HB2 SER A 52 -18.214 -4.137 2.910 1.00 0.57 H new ATOM 0 HB3 SER A 52 -16.794 -3.209 3.350 1.00 0.57 H new ATOM 0 HG SER A 52 -18.363 -1.577 1.928 1.00 1.42 H new ATOM 822 N SER A 53 -18.867 -2.695 -0.248 1.00 0.54 N ATOM 823 CA SER A 53 -19.975 -2.863 -1.181 1.00 0.60 C ATOM 824 C SER A 53 -19.527 -3.622 -2.425 1.00 0.63 C ATOM 825 O SER A 53 -19.936 -4.760 -2.653 1.00 0.70 O ATOM 826 CB SER A 53 -20.548 -1.501 -1.577 1.00 0.68 C ATOM 827 OG SER A 53 -21.739 -1.647 -2.330 1.00 0.93 O ATOM 0 H SER A 53 -18.643 -1.724 -0.031 1.00 0.54 H new ATOM 0 HA SER A 53 -20.752 -3.444 -0.683 1.00 0.60 H new ATOM 0 HB2 SER A 53 -20.750 -0.914 -0.681 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.811 -0.949 -2.160 1.00 0.68 H new ATOM 0 HG SER A 53 -22.086 -0.762 -2.569 1.00 0.93 H new ATOM 833 N GLN A 54 -18.681 -2.982 -3.227 1.00 0.67 N ATOM 834 CA GLN A 54 -18.171 -3.590 -4.451 1.00 0.80 C ATOM 835 C GLN A 54 -17.357 -4.846 -4.151 1.00 0.81 C ATOM 836 O GLN A 54 -17.085 -5.645 -5.046 1.00 0.97 O ATOM 837 CB GLN A 54 -17.313 -2.586 -5.224 1.00 0.94 C ATOM 838 CG GLN A 54 -18.098 -1.766 -6.236 1.00 1.35 C ATOM 839 CD GLN A 54 -18.053 -2.362 -7.629 1.00 1.75 C ATOM 840 OE1 GLN A 54 -18.985 -3.046 -8.055 1.00 2.48 O ATOM 841 NE2 GLN A 54 -16.969 -2.103 -8.349 1.00 2.07 N ATOM 0 H GLN A 54 -18.333 -2.039 -3.050 1.00 0.67 H new ATOM 0 HA GLN A 54 -19.027 -3.878 -5.061 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -16.832 -1.911 -4.516 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -16.518 -3.123 -5.742 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -19.135 -1.690 -5.910 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -17.698 -0.752 -6.265 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -16.221 -1.532 -7.957 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -16.884 -2.475 -9.295 1.00 2.07 H new ATOM 850 N LYS A 55 -16.972 -5.017 -2.887 1.00 0.68 N ATOM 851 CA LYS A 55 -16.185 -6.176 -2.478 1.00 0.73 C ATOM 852 C LYS A 55 -16.917 -7.473 -2.801 1.00 0.86 C ATOM 853 O LYS A 55 -16.383 -8.345 -3.487 1.00 1.12 O ATOM 854 CB LYS A 55 -15.880 -6.111 -0.979 1.00 0.65 C ATOM 855 CG LYS A 55 -14.580 -6.797 -0.589 1.00 0.74 C ATOM 856 CD LYS A 55 -14.780 -7.762 0.570 1.00 0.76 C ATOM 857 CE LYS A 55 -14.981 -7.024 1.885 1.00 1.36 C ATOM 858 NZ LYS A 55 -14.658 -7.883 3.057 1.00 1.77 N ATOM 0 H LYS A 55 -17.192 -4.368 -2.131 1.00 0.68 H new ATOM 0 HA LYS A 55 -15.248 -6.159 -3.034 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -15.836 -5.066 -0.671 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -16.702 -6.570 -0.430 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -14.181 -7.337 -1.448 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.840 -6.045 -0.314 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -15.645 -8.395 0.372 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -13.915 -8.420 0.650 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -14.352 -6.134 1.902 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -16.014 -6.685 1.957 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -14.187 -7.311 3.787 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -15.535 -8.286 3.445 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -14.026 -8.653 2.759 1.00 1.77 H new ATOM 872 N GLN A 56 -18.143 -7.596 -2.303 1.00 0.79 N ATOM 873 CA GLN A 56 -18.952 -8.786 -2.541 1.00 0.97 C ATOM 874 C GLN A 56 -19.227 -8.978 -4.031 1.00 1.12 C ATOM 875 O GLN A 56 -19.649 -10.052 -4.459 1.00 1.37 O ATOM 876 CB GLN A 56 -20.272 -8.692 -1.773 1.00 0.96 C ATOM 877 CG GLN A 56 -21.164 -7.549 -2.229 1.00 1.58 C ATOM 878 CD GLN A 56 -22.608 -7.974 -2.406 1.00 2.14 C ATOM 879 OE1 GLN A 56 -23.500 -7.483 -1.712 1.00 2.41 O ATOM 880 NE2 GLN A 56 -22.845 -8.891 -3.335 1.00 3.02 N ATOM 0 H GLN A 56 -18.599 -6.885 -1.731 1.00 0.79 H new ATOM 0 HA GLN A 56 -18.391 -9.650 -2.184 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -20.814 -9.631 -1.884 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -20.057 -8.572 -0.711 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -21.114 -6.740 -1.500 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -20.787 -7.152 -3.172 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -22.075 -9.270 -3.886 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -23.798 -9.217 -3.498 1.00 3.02 H new ATOM 889 N ARG A 57 -18.990 -7.930 -4.816 1.00 1.15 N ATOM 890 CA ARG A 57 -19.219 -7.988 -6.254 1.00 1.46 C ATOM 891 C ARG A 57 -17.951 -8.406 -6.992 1.00 1.58 C ATOM 892 O ARG A 57 -17.338 -7.604 -7.698 1.00 1.74 O ATOM 893 CB ARG A 57 -19.698 -6.629 -6.769 1.00 1.66 C ATOM 894 CG ARG A 57 -20.924 -6.099 -6.044 1.00 1.38 C ATOM 895 CD ARG A 57 -21.669 -5.077 -6.886 1.00 1.67 C ATOM 896 NE ARG A 57 -22.725 -5.692 -7.686 1.00 1.89 N ATOM 897 CZ ARG A 57 -22.928 -5.424 -8.973 1.00 2.38 C ATOM 898 NH1 ARG A 57 -22.156 -4.547 -9.603 1.00 2.83 N ATOM 899 NH2 ARG A 57 -23.904 -6.032 -9.632 1.00 2.99 N ATOM 0 H ARG A 57 -18.640 -7.033 -4.480 1.00 1.15 H new ATOM 0 HA ARG A 57 -19.990 -8.735 -6.444 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -18.888 -5.907 -6.670 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -19.923 -6.712 -7.832 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -21.590 -6.927 -5.800 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -20.622 -5.644 -5.100 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -22.103 -4.318 -6.235 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -20.965 -4.568 -7.544 1.00 1.67 H new ATOM 0 HE ARG A 57 -23.342 -6.365 -7.232 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -21.404 -4.076 -9.100 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -22.315 -4.344 -10.590 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -24.500 -6.706 -9.152 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -24.059 -5.826 -10.619 1.00 2.99 H new ATOM 913 N GLY A 58 -17.580 -9.674 -6.827 1.00 1.74 N ATOM 914 CA GLY A 58 -16.396 -10.215 -7.481 1.00 2.05 C ATOM 915 C GLY A 58 -15.246 -9.227 -7.559 1.00 1.56 C ATOM 916 O GLY A 58 -14.754 -8.925 -8.646 1.00 1.61 O ATOM 0 H GLY A 58 -18.084 -10.344 -6.246 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -16.066 -11.103 -6.942 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -16.661 -10.534 -8.489 1.00 2.05 H new ATOM 920 N ARG A 59 -14.815 -8.724 -6.407 1.00 1.40 N ATOM 921 CA ARG A 59 -13.717 -7.765 -6.359 1.00 1.48 C ATOM 922 C ARG A 59 -12.888 -7.944 -5.091 1.00 1.02 C ATOM 923 O ARG A 59 -13.362 -8.497 -4.099 1.00 1.47 O ATOM 924 CB ARG A 59 -14.257 -6.336 -6.432 1.00 2.32 C ATOM 925 CG ARG A 59 -14.437 -5.825 -7.852 1.00 3.01 C ATOM 926 CD ARG A 59 -13.167 -5.175 -8.376 1.00 3.79 C ATOM 927 NE ARG A 59 -12.067 -6.130 -8.479 1.00 4.29 N ATOM 928 CZ ARG A 59 -11.330 -6.294 -9.574 1.00 4.87 C ATOM 929 NH1 ARG A 59 -11.567 -5.562 -10.654 1.00 5.10 N ATOM 930 NH2 ARG A 59 -10.353 -7.190 -9.587 1.00 5.55 N ATOM 0 H ARG A 59 -15.208 -8.963 -5.497 1.00 1.40 H new ATOM 0 HA ARG A 59 -13.073 -7.948 -7.219 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -15.215 -6.292 -5.915 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -13.576 -5.672 -5.899 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -14.719 -6.652 -8.504 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -15.254 -5.104 -7.879 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -13.361 -4.738 -9.356 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -12.878 -4.359 -7.714 1.00 3.79 H new ATOM 0 HE ARG A 59 -11.851 -6.704 -7.664 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -12.317 -4.870 -10.647 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -11.000 -5.691 -11.492 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -10.167 -7.753 -8.757 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -9.788 -7.316 -10.427 1.00 5.55 H new ATOM 944 N SER A 60 -11.646 -7.470 -5.135 1.00 0.87 N ATOM 945 CA SER A 60 -10.746 -7.573 -3.992 1.00 0.54 C ATOM 946 C SER A 60 -10.773 -6.294 -3.162 1.00 0.42 C ATOM 947 O SER A 60 -10.678 -5.191 -3.700 1.00 0.40 O ATOM 948 CB SER A 60 -9.320 -7.859 -4.465 1.00 0.77 C ATOM 949 OG SER A 60 -8.897 -9.150 -4.063 1.00 1.51 O ATOM 0 H SER A 60 -11.240 -7.011 -5.950 1.00 0.87 H new ATOM 0 HA SER A 60 -11.086 -8.398 -3.366 1.00 0.54 H new ATOM 0 HB2 SER A 60 -9.271 -7.779 -5.551 1.00 0.77 H new ATOM 0 HB3 SER A 60 -8.642 -7.108 -4.059 1.00 0.77 H new ATOM 0 HG SER A 60 -8.536 -9.107 -3.153 1.00 1.51 H new ATOM 955 N ALA A 61 -10.904 -6.450 -1.848 1.00 0.38 N ATOM 956 CA ALA A 61 -10.945 -5.310 -0.941 1.00 0.33 C ATOM 957 C ALA A 61 -9.653 -4.501 -1.009 1.00 0.29 C ATOM 958 O ALA A 61 -9.679 -3.272 -0.990 1.00 0.27 O ATOM 959 CB ALA A 61 -11.201 -5.780 0.483 1.00 0.39 C ATOM 0 H ALA A 61 -10.984 -7.357 -1.388 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.763 -4.661 -1.253 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.229 -4.919 1.151 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -12.155 -6.305 0.527 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.402 -6.453 0.793 1.00 0.39 H new ATOM 965 N SER A 62 -8.525 -5.201 -1.083 1.00 0.33 N ATOM 966 CA SER A 62 -7.223 -4.550 -1.155 1.00 0.34 C ATOM 967 C SER A 62 -7.079 -3.772 -2.458 1.00 0.31 C ATOM 968 O SER A 62 -6.569 -2.652 -2.471 1.00 0.31 O ATOM 969 CB SER A 62 -6.103 -5.585 -1.039 1.00 0.42 C ATOM 970 OG SER A 62 -6.024 -6.109 0.276 1.00 0.66 O ATOM 0 H SER A 62 -8.487 -6.220 -1.095 1.00 0.33 H new ATOM 0 HA SER A 62 -7.147 -3.850 -0.323 1.00 0.34 H new ATOM 0 HB2 SER A 62 -6.278 -6.395 -1.746 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.151 -5.127 -1.309 1.00 0.42 H new ATOM 0 HG SER A 62 -5.693 -7.031 0.241 1.00 0.66 H new ATOM 976 N ASN A 63 -7.533 -4.374 -3.553 1.00 0.32 N ATOM 977 CA ASN A 63 -7.459 -3.739 -4.863 1.00 0.32 C ATOM 978 C ASN A 63 -8.241 -2.431 -4.876 1.00 0.31 C ATOM 979 O ASN A 63 -7.729 -1.394 -5.302 1.00 0.33 O ATOM 980 CB ASN A 63 -7.995 -4.679 -5.940 1.00 0.35 C ATOM 981 CG ASN A 63 -7.045 -4.819 -7.114 1.00 0.92 C ATOM 982 OD1 ASN A 63 -6.015 -4.149 -7.179 1.00 1.40 O ATOM 983 ND2 ASN A 63 -7.391 -5.693 -8.053 1.00 1.79 N ATOM 0 H ASN A 63 -7.956 -5.302 -3.558 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.413 -3.518 -5.074 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -8.175 -5.661 -5.503 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.956 -4.308 -6.296 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -6.793 -5.829 -8.868 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -8.254 -6.228 -7.959 1.00 1.79 H new ATOM 990 N GLU A 64 -9.484 -2.485 -4.407 1.00 0.31 N ATOM 991 CA GLU A 64 -10.333 -1.301 -4.359 1.00 0.33 C ATOM 992 C GLU A 64 -9.759 -0.268 -3.396 1.00 0.31 C ATOM 993 O GLU A 64 -9.805 0.934 -3.658 1.00 0.34 O ATOM 994 CB GLU A 64 -11.752 -1.681 -3.930 1.00 0.37 C ATOM 995 CG GLU A 64 -12.824 -0.756 -4.485 1.00 0.87 C ATOM 996 CD GLU A 64 -13.303 -1.174 -5.861 1.00 1.10 C ATOM 997 OE1 GLU A 64 -12.696 -2.094 -6.450 1.00 1.66 O ATOM 998 OE2 GLU A 64 -14.288 -0.583 -6.352 1.00 1.72 O ATOM 0 H GLU A 64 -9.925 -3.335 -4.055 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.369 -0.866 -5.358 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.960 -2.701 -4.255 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.807 -1.676 -2.841 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -13.672 -0.737 -3.800 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -12.431 0.260 -4.535 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.222 -0.749 -2.278 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.630 0.126 -1.273 1.00 0.29 C ATOM 1007 C PHE A 65 -7.508 0.961 -1.882 1.00 0.30 C ATOM 1008 O PHE A 65 -7.432 2.170 -1.665 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.096 -0.702 -0.099 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.190 0.063 0.827 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.670 1.148 1.544 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.861 -0.301 0.978 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -6.842 1.854 2.394 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -5.028 0.403 1.827 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.511 1.471 2.537 1.00 0.48 C ATOM 0 H PHE A 65 -9.185 -1.742 -2.046 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.402 0.802 -0.906 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -8.939 -1.089 0.472 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.555 -1.563 -0.491 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.703 1.444 1.437 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.472 -1.144 0.426 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -7.225 2.700 2.946 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -3.994 0.111 1.931 1.00 0.42 H new ATOM 0 HZ PHE A 65 -4.860 2.015 3.206 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.638 0.305 -2.645 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.521 0.987 -3.290 1.00 0.35 C ATOM 1027 C LEU A 66 -6.021 2.006 -4.308 1.00 0.37 C ATOM 1028 O LEU A 66 -5.367 3.016 -4.564 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.602 -0.026 -3.981 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.375 -0.459 -3.172 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.457 0.727 -2.910 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.796 -1.111 -1.864 1.00 0.61 C ATOM 0 H LEU A 66 -6.685 -0.697 -2.831 1.00 0.32 H new ATOM 0 HA LEU A 66 -4.958 1.512 -2.518 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -5.186 -0.913 -4.226 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -4.262 0.402 -4.924 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.823 -1.194 -3.758 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.592 0.397 -2.334 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.123 1.145 -3.860 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -2.998 1.489 -2.348 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.910 -1.411 -1.305 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -4.374 -0.401 -1.273 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -4.406 -1.989 -2.075 1.00 0.61 H new ATOM 1044 N ASN A 67 -7.181 1.729 -4.893 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.770 2.621 -5.886 1.00 0.42 C ATOM 1046 C ASN A 67 -8.112 3.979 -5.275 1.00 0.41 C ATOM 1047 O ASN A 67 -8.262 4.969 -5.991 1.00 0.66 O ATOM 1048 CB ASN A 67 -9.026 1.989 -6.488 1.00 0.47 C ATOM 1049 CG ASN A 67 -8.821 1.549 -7.924 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -8.171 2.238 -8.710 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -9.380 0.397 -8.276 1.00 1.48 N ATOM 0 H ASN A 67 -7.733 0.894 -4.697 1.00 0.37 H new ATOM 0 HA ASN A 67 -7.034 2.777 -6.675 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -9.321 1.129 -5.886 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.846 2.705 -6.444 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -9.279 0.052 -9.230 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -9.911 -0.142 -7.592 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.234 4.017 -3.950 1.00 0.33 N ATOM 1059 CA ILE A 68 -8.565 5.253 -3.248 1.00 0.35 C ATOM 1060 C ILE A 68 -7.345 5.840 -2.542 1.00 0.35 C ATOM 1061 O ILE A 68 -6.957 6.978 -2.799 1.00 0.41 O ATOM 1062 CB ILE A 68 -9.684 5.029 -2.211 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -10.819 4.201 -2.818 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.208 6.364 -1.702 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.771 3.635 -1.787 1.00 0.52 C ATOM 0 H ILE A 68 -8.109 3.207 -3.343 1.00 0.33 H new ATOM 0 HA ILE A 68 -8.912 5.956 -4.005 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.270 4.476 -1.368 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -11.379 4.824 -3.515 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.392 3.381 -3.395 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -10.997 6.190 -0.971 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -9.395 6.919 -1.234 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -10.607 6.940 -2.537 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.550 3.060 -2.288 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.223 2.986 -1.104 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.227 4.451 -1.226 1.00 0.52 H new ATOM 1077 N TRP A 69 -6.745 5.053 -1.652 1.00 0.35 N ATOM 1078 CA TRP A 69 -5.572 5.496 -0.904 1.00 0.38 C ATOM 1079 C TRP A 69 -4.346 5.581 -1.808 1.00 0.45 C ATOM 1080 O TRP A 69 -3.277 6.018 -1.383 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.299 4.544 0.263 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.348 5.100 1.279 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.558 6.171 2.098 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.036 4.612 1.583 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.456 6.380 2.892 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.509 5.436 2.594 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.256 3.558 1.098 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.238 5.239 3.129 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -0.994 3.364 1.629 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.496 4.200 2.636 1.00 0.63 C ATOM 0 H TRP A 69 -7.052 4.106 -1.432 1.00 0.35 H new ATOM 0 HA TRP A 69 -5.777 6.492 -0.512 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.242 4.304 0.753 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -4.896 3.610 -0.128 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.458 6.767 2.119 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.359 7.118 3.590 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -2.632 2.907 0.323 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.852 5.883 3.905 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.382 2.554 1.261 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.493 4.021 3.031 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.509 5.163 -3.059 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.409 5.204 -4.004 1.00 0.74 C ATOM 1103 C GLY A 70 -3.798 5.844 -5.322 1.00 0.86 C ATOM 1104 O GLY A 70 -3.453 5.340 -6.390 1.00 1.08 O ATOM 0 H GLY A 70 -5.383 4.797 -3.435 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -2.579 5.758 -3.566 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -3.054 4.190 -4.187 1.00 0.74 H new ATOM 1108 N GLY A 71 -4.520 6.959 -5.246 1.00 0.96 N ATOM 1109 CA GLY A 71 -4.943 7.651 -6.449 1.00 1.16 C ATOM 1110 C GLY A 71 -5.662 8.952 -6.150 1.00 1.26 C ATOM 1111 O GLY A 71 -5.469 9.950 -6.845 1.00 1.54 O ATOM 0 H GLY A 71 -4.819 7.394 -4.373 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -4.072 7.856 -7.071 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -5.601 7.001 -7.026 1.00 1.16 H new ATOM 1115 N GLN A 72 -6.496 8.942 -5.114 1.00 1.15 N ATOM 1116 CA GLN A 72 -7.248 10.129 -4.724 1.00 1.31 C ATOM 1117 C GLN A 72 -6.352 11.125 -3.994 1.00 1.31 C ATOM 1118 O GLN A 72 -6.378 12.323 -4.278 1.00 1.64 O ATOM 1119 CB GLN A 72 -8.430 9.743 -3.834 1.00 1.35 C ATOM 1120 CG GLN A 72 -9.569 9.078 -4.588 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.476 10.080 -5.277 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -10.653 10.040 -6.494 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -11.056 10.987 -4.498 1.00 1.99 N ATOM 0 H GLN A 72 -6.668 8.124 -4.529 1.00 1.15 H new ATOM 0 HA GLN A 72 -7.625 10.602 -5.631 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -8.080 9.068 -3.053 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -8.807 10.637 -3.338 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -9.158 8.395 -5.331 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -10.158 8.478 -3.894 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -10.881 10.983 -3.493 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -11.676 11.687 -4.905 1.00 1.99 H new ATOM 1132 N TYR A 73 -5.562 10.622 -3.052 1.00 1.08 N ATOM 1133 CA TYR A 73 -4.659 11.466 -2.279 1.00 1.16 C ATOM 1134 C TYR A 73 -3.243 11.409 -2.840 1.00 1.24 C ATOM 1135 O TYR A 73 -2.434 12.305 -2.600 1.00 1.49 O ATOM 1136 CB TYR A 73 -4.656 11.036 -0.810 1.00 1.13 C ATOM 1137 CG TYR A 73 -6.037 10.749 -0.260 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -7.017 11.734 -0.241 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -6.358 9.494 0.242 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -8.278 11.475 0.263 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -7.617 9.228 0.747 1.00 0.97 C ATOM 1142 CZ TYR A 73 -8.576 10.220 0.745 1.00 1.27 C ATOM 1143 OH TYR A 73 -9.826 9.961 1.258 1.00 1.38 O ATOM 0 H TYR A 73 -5.529 9.633 -2.805 1.00 1.08 H new ATOM 0 HA TYR A 73 -5.016 12.494 -2.349 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -4.039 10.144 -0.702 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -4.191 11.820 -0.212 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -6.790 12.717 -0.626 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -5.612 8.713 0.238 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -9.026 12.254 0.279 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -7.849 8.249 1.141 1.00 0.97 H new ATOM 0 HH TYR A 73 -10.488 10.528 0.810 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.952 10.349 -3.589 1.00 1.23 N ATOM 1154 CA ASN A 74 -1.633 10.170 -4.187 1.00 1.34 C ATOM 1155 C ASN A 74 -0.541 10.248 -3.124 1.00 0.95 C ATOM 1156 O ASN A 74 0.218 11.217 -3.067 1.00 1.38 O ATOM 1157 CB ASN A 74 -1.391 11.227 -5.269 1.00 1.91 C ATOM 1158 CG ASN A 74 -1.609 10.686 -6.669 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -1.967 9.522 -6.850 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -1.391 11.531 -7.670 1.00 3.10 N ATOM 0 H ASN A 74 -3.613 9.600 -3.796 1.00 1.23 H new ATOM 0 HA ASN A 74 -1.598 9.181 -4.645 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -2.058 12.073 -5.102 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -0.372 11.603 -5.183 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -1.519 11.224 -8.634 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -1.095 12.487 -7.475 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.472 9.224 -2.279 1.00 0.64 N ATOM 1168 CA HIS A 75 0.524 9.178 -1.216 1.00 0.65 C ATOM 1169 C HIS A 75 1.889 8.783 -1.764 1.00 0.56 C ATOM 1170 O HIS A 75 2.054 8.579 -2.966 1.00 1.01 O ATOM 1171 CB HIS A 75 0.102 8.190 -0.129 1.00 1.06 C ATOM 1172 CG HIS A 75 -0.190 8.837 1.188 1.00 1.69 C ATOM 1173 ND1 HIS A 75 0.797 9.208 2.078 1.00 2.23 N ATOM 1174 CD2 HIS A 75 -1.365 9.179 1.769 1.00 2.43 C ATOM 1175 CE1 HIS A 75 0.243 9.749 3.148 1.00 2.72 C ATOM 1176 NE2 HIS A 75 -1.068 9.743 2.985 1.00 2.80 N ATOM 0 H HIS A 75 -1.094 8.416 -2.310 1.00 0.64 H new ATOM 0 HA HIS A 75 0.596 10.176 -0.784 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -0.784 7.651 -0.464 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.892 7.452 0.006 1.00 1.06 H new ATOM 0 HD2 HIS A 75 -2.351 9.035 1.353 1.00 2.43 H new ATOM 0 HE1 HIS A 75 0.771 10.131 4.009 1.00 2.72 H new ATOM 0 HE2 HIS A 75 -1.750 10.100 3.655 1.00 2.80 H new ATOM 1185 N THR A 76 2.863 8.682 -0.869 1.00 0.64 N ATOM 1186 CA THR A 76 4.222 8.311 -1.249 1.00 0.64 C ATOM 1187 C THR A 76 4.463 6.819 -1.050 1.00 0.51 C ATOM 1188 O THR A 76 3.845 6.192 -0.187 1.00 0.43 O ATOM 1189 CB THR A 76 5.267 9.101 -0.439 1.00 0.89 C ATOM 1190 OG1 THR A 76 5.174 8.760 0.949 1.00 1.17 O ATOM 1191 CG2 THR A 76 5.066 10.600 -0.612 1.00 1.07 C ATOM 0 H THR A 76 2.738 8.852 0.129 1.00 0.64 H new ATOM 0 HA THR A 76 4.331 8.555 -2.306 1.00 0.64 H new ATOM 0 HB THR A 76 6.257 8.837 -0.812 1.00 0.89 H new ATOM 0 HG1 THR A 76 5.843 9.266 1.456 1.00 1.17 H new ATOM 0 HG21 THR A 76 5.815 11.137 -0.031 1.00 1.07 H new ATOM 0 HG22 THR A 76 5.168 10.862 -1.665 1.00 1.07 H new ATOM 0 HG23 THR A 76 4.071 10.876 -0.264 1.00 1.07 H new ATOM 1199 N VAL A 77 5.362 6.254 -1.849 1.00 0.53 N ATOM 1200 CA VAL A 77 5.686 4.835 -1.751 1.00 0.49 C ATOM 1201 C VAL A 77 6.309 4.517 -0.396 1.00 0.40 C ATOM 1202 O VAL A 77 6.245 3.383 0.077 1.00 0.39 O ATOM 1203 CB VAL A 77 6.653 4.395 -2.865 1.00 0.61 C ATOM 1204 CG1 VAL A 77 5.950 4.393 -4.213 1.00 1.22 C ATOM 1205 CG2 VAL A 77 7.881 5.293 -2.895 1.00 1.25 C ATOM 0 H VAL A 77 5.879 6.756 -2.571 1.00 0.53 H new ATOM 0 HA VAL A 77 4.751 4.286 -1.863 1.00 0.49 H new ATOM 0 HB VAL A 77 6.983 3.378 -2.653 1.00 0.61 H new ATOM 0 HG11 VAL A 77 6.650 4.079 -4.988 1.00 1.22 H new ATOM 0 HG12 VAL A 77 5.108 3.702 -4.183 1.00 1.22 H new ATOM 0 HG13 VAL A 77 5.588 5.397 -4.436 1.00 1.22 H new ATOM 0 HG21 VAL A 77 8.552 4.965 -3.689 1.00 1.25 H new ATOM 0 HG22 VAL A 77 7.575 6.322 -3.081 1.00 1.25 H new ATOM 0 HG23 VAL A 77 8.397 5.235 -1.937 1.00 1.25 H new ATOM 1215 N GLN A 78 6.914 5.528 0.220 1.00 0.42 N ATOM 1216 CA GLN A 78 7.545 5.364 1.524 1.00 0.42 C ATOM 1217 C GLN A 78 6.508 5.003 2.582 1.00 0.37 C ATOM 1218 O GLN A 78 6.681 4.041 3.331 1.00 0.35 O ATOM 1219 CB GLN A 78 8.276 6.646 1.925 1.00 0.54 C ATOM 1220 CG GLN A 78 9.176 6.482 3.139 1.00 1.05 C ATOM 1221 CD GLN A 78 9.878 7.771 3.520 1.00 1.49 C ATOM 1222 OE1 GLN A 78 11.080 7.925 3.302 1.00 2.24 O ATOM 1223 NE2 GLN A 78 9.128 8.706 4.092 1.00 1.87 N ATOM 0 H GLN A 78 6.980 6.471 -0.164 1.00 0.42 H new ATOM 0 HA GLN A 78 8.268 4.551 1.454 1.00 0.42 H new ATOM 0 HB2 GLN A 78 8.876 6.990 1.083 1.00 0.54 H new ATOM 0 HB3 GLN A 78 7.541 7.424 2.131 1.00 0.54 H new ATOM 0 HG2 GLN A 78 8.582 6.133 3.983 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.921 5.713 2.934 1.00 1.05 H new ATOM 0 HE21 GLN A 78 8.135 8.535 4.254 1.00 1.87 H new ATOM 0 HE22 GLN A 78 9.545 9.595 4.370 1.00 1.87 H new ATOM 1232 N THR A 79 5.433 5.785 2.637 1.00 0.42 N ATOM 1233 CA THR A 79 4.361 5.549 3.597 1.00 0.45 C ATOM 1234 C THR A 79 3.816 4.131 3.472 1.00 0.39 C ATOM 1235 O THR A 79 3.405 3.523 4.461 1.00 0.40 O ATOM 1236 CB THR A 79 3.207 6.550 3.409 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.726 7.876 3.252 1.00 0.65 O ATOM 1238 CG2 THR A 79 2.257 6.510 4.598 1.00 0.71 C ATOM 0 H THR A 79 5.282 6.588 2.027 1.00 0.42 H new ATOM 0 HA THR A 79 4.789 5.685 4.590 1.00 0.45 H new ATOM 0 HB THR A 79 2.655 6.269 2.512 1.00 0.56 H new ATOM 0 HG1 THR A 79 4.042 7.997 2.332 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.450 7.226 4.443 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.840 5.508 4.697 1.00 0.71 H new ATOM 0 HG23 THR A 79 2.801 6.768 5.507 1.00 0.71 H new ATOM 1246 N LEU A 80 3.816 3.610 2.247 1.00 0.35 N ATOM 1247 CA LEU A 80 3.324 2.262 1.987 1.00 0.34 C ATOM 1248 C LEU A 80 4.142 1.229 2.755 1.00 0.32 C ATOM 1249 O LEU A 80 3.588 0.321 3.375 1.00 0.34 O ATOM 1250 CB LEU A 80 3.372 1.960 0.486 1.00 0.37 C ATOM 1251 CG LEU A 80 2.985 0.532 0.097 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.507 0.288 0.361 1.00 0.47 C ATOM 1253 CD2 LEU A 80 3.318 0.272 -1.365 1.00 0.50 C ATOM 0 H LEU A 80 4.152 4.102 1.419 1.00 0.35 H new ATOM 0 HA LEU A 80 2.290 2.205 2.327 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.707 2.653 -0.029 1.00 0.37 H new ATOM 0 HB3 LEU A 80 4.381 2.158 0.124 1.00 0.37 H new ATOM 0 HG LEU A 80 3.560 -0.161 0.710 1.00 0.42 H new ATOM 0 HD11 LEU A 80 1.251 -0.733 0.078 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.298 0.434 1.421 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.912 0.987 -0.226 1.00 0.47 H new ATOM 0 HD21 LEU A 80 3.037 -0.748 -1.626 1.00 0.50 H new ATOM 0 HD22 LEU A 80 2.768 0.972 -1.994 1.00 0.50 H new ATOM 0 HD23 LEU A 80 4.388 0.405 -1.524 1.00 0.50 H new ATOM 1265 N PHE A 81 5.462 1.371 2.704 1.00 0.33 N ATOM 1266 CA PHE A 81 6.354 0.452 3.400 1.00 0.36 C ATOM 1267 C PHE A 81 6.100 0.485 4.903 1.00 0.37 C ATOM 1268 O PHE A 81 5.924 -0.555 5.538 1.00 0.38 O ATOM 1269 CB PHE A 81 7.814 0.805 3.110 1.00 0.41 C ATOM 1270 CG PHE A 81 8.776 -0.294 3.455 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.335 -0.371 4.721 1.00 0.55 C ATOM 1272 CD2 PHE A 81 9.121 -1.252 2.515 1.00 0.59 C ATOM 1273 CE1 PHE A 81 10.220 -1.382 5.043 1.00 0.67 C ATOM 1274 CE2 PHE A 81 10.005 -2.265 2.831 1.00 0.71 C ATOM 1275 CZ PHE A 81 10.555 -2.331 4.096 1.00 0.73 C ATOM 0 H PHE A 81 5.937 2.112 2.189 1.00 0.33 H new ATOM 0 HA PHE A 81 6.153 -0.556 3.036 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.917 1.049 2.053 1.00 0.41 H new ATOM 0 HB3 PHE A 81 8.081 1.700 3.671 1.00 0.41 H new ATOM 0 HD1 PHE A 81 9.076 0.368 5.465 1.00 0.55 H new ATOM 0 HD2 PHE A 81 8.694 -1.206 1.524 1.00 0.59 H new ATOM 0 HE1 PHE A 81 10.649 -1.430 6.033 1.00 0.67 H new ATOM 0 HE2 PHE A 81 10.266 -3.005 2.089 1.00 0.71 H new ATOM 0 HZ PHE A 81 11.246 -3.123 4.345 1.00 0.73 H new ATOM 1285 N ALA A 82 6.083 1.690 5.466 1.00 0.45 N ATOM 1286 CA ALA A 82 5.852 1.867 6.896 1.00 0.52 C ATOM 1287 C ALA A 82 4.480 1.344 7.306 1.00 0.45 C ATOM 1288 O ALA A 82 4.249 1.031 8.474 1.00 0.43 O ATOM 1289 CB ALA A 82 5.993 3.335 7.272 1.00 0.67 C ATOM 0 H ALA A 82 6.227 2.560 4.953 1.00 0.45 H new ATOM 0 HA ALA A 82 6.603 1.288 7.433 1.00 0.52 H new ATOM 0 HB1 ALA A 82 5.819 3.455 8.341 1.00 0.67 H new ATOM 0 HB2 ALA A 82 6.998 3.678 7.028 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.263 3.924 6.717 1.00 0.67 H new ATOM 1295 N LEU A 83 3.570 1.252 6.340 1.00 0.44 N ATOM 1296 CA LEU A 83 2.219 0.768 6.606 1.00 0.41 C ATOM 1297 C LEU A 83 2.231 -0.708 6.994 1.00 0.36 C ATOM 1298 O LEU A 83 1.707 -1.088 8.041 1.00 0.36 O ATOM 1299 CB LEU A 83 1.327 0.979 5.380 1.00 0.46 C ATOM 1300 CG LEU A 83 -0.134 0.565 5.561 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.854 1.532 6.490 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.838 0.494 4.214 1.00 1.23 C ATOM 0 H LEU A 83 3.743 1.506 5.367 1.00 0.44 H new ATOM 0 HA LEU A 83 1.816 1.339 7.443 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.358 2.033 5.105 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.746 0.419 4.544 1.00 0.46 H new ATOM 0 HG LEU A 83 -0.157 -0.426 6.014 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.892 1.220 6.606 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -0.365 1.533 7.464 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.822 2.536 6.066 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.877 0.198 4.361 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.804 1.472 3.734 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.338 -0.239 3.580 1.00 1.23 H new ATOM 1314 N PHE A 84 2.830 -1.534 6.140 1.00 0.37 N ATOM 1315 CA PHE A 84 2.909 -2.970 6.390 1.00 0.39 C ATOM 1316 C PHE A 84 3.612 -3.265 7.711 1.00 0.39 C ATOM 1317 O PHE A 84 3.325 -4.270 8.364 1.00 0.41 O ATOM 1318 CB PHE A 84 3.641 -3.666 5.241 1.00 0.45 C ATOM 1319 CG PHE A 84 2.892 -3.627 3.940 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.584 -4.082 3.862 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.496 -3.138 2.793 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.893 -4.046 2.666 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.810 -3.100 1.594 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.508 -3.554 1.531 1.00 0.42 C ATOM 0 H PHE A 84 3.268 -1.233 5.269 1.00 0.37 H new ATOM 0 HA PHE A 84 1.891 -3.355 6.455 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.615 -3.196 5.104 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.824 -4.705 5.514 1.00 0.45 H new ATOM 0 HD1 PHE A 84 1.100 -4.469 4.747 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.515 -2.782 2.836 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.126 -4.402 2.619 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.292 -2.716 0.707 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.970 -3.525 0.595 1.00 0.42 H new ATOM 1334 N LYS A 85 4.536 -2.389 8.095 1.00 0.43 N ATOM 1335 CA LYS A 85 5.281 -2.557 9.340 1.00 0.47 C ATOM 1336 C LYS A 85 4.335 -2.740 10.524 1.00 0.48 C ATOM 1337 O LYS A 85 4.653 -3.449 11.479 1.00 0.51 O ATOM 1338 CB LYS A 85 6.192 -1.353 9.582 1.00 0.56 C ATOM 1339 CG LYS A 85 7.643 -1.607 9.206 1.00 0.83 C ATOM 1340 CD LYS A 85 8.594 -0.782 10.057 1.00 0.64 C ATOM 1341 CE LYS A 85 10.004 -1.347 10.022 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.051 -2.758 10.495 1.00 1.59 N ATOM 0 H LYS A 85 4.787 -1.556 7.563 1.00 0.43 H new ATOM 0 HA LYS A 85 5.893 -3.454 9.247 1.00 0.47 H new ATOM 0 HB2 LYS A 85 5.819 -0.504 9.009 1.00 0.56 H new ATOM 0 HB3 LYS A 85 6.141 -1.074 10.634 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.871 -2.666 9.327 1.00 0.83 H new ATOM 0 HG3 LYS A 85 7.794 -1.367 8.154 1.00 0.83 H new ATOM 0 HD2 LYS A 85 8.604 0.248 9.699 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.236 -0.758 11.086 1.00 0.64 H new ATOM 0 HE2 LYS A 85 10.391 -1.293 9.005 1.00 1.03 H new ATOM 0 HE3 LYS A 85 10.656 -0.734 10.644 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 10.987 -2.956 10.904 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 9.319 -2.906 11.219 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 9.880 -3.399 9.694 1.00 1.59 H new ATOM 1356 N LYS A 86 3.174 -2.094 10.453 1.00 0.52 N ATOM 1357 CA LYS A 86 2.180 -2.188 11.517 1.00 0.59 C ATOM 1358 C LYS A 86 1.751 -3.636 11.734 1.00 0.61 C ATOM 1359 O LYS A 86 1.628 -4.094 12.870 1.00 0.69 O ATOM 1360 CB LYS A 86 0.960 -1.329 11.181 1.00 0.71 C ATOM 1361 CG LYS A 86 0.692 -0.228 12.193 1.00 1.05 C ATOM 1362 CD LYS A 86 -0.591 0.521 11.872 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.686 0.206 12.878 1.00 1.84 C ATOM 1364 NZ LYS A 86 -1.897 1.324 13.838 1.00 2.31 N ATOM 0 H LYS A 86 2.899 -1.500 9.670 1.00 0.52 H new ATOM 0 HA LYS A 86 2.634 -1.820 12.437 1.00 0.59 H new ATOM 0 HB2 LYS A 86 1.102 -0.880 10.198 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.082 -1.971 11.114 1.00 0.71 H new ATOM 0 HG2 LYS A 86 0.623 -0.659 13.192 1.00 1.05 H new ATOM 0 HG3 LYS A 86 1.529 0.470 12.204 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -0.396 1.593 11.868 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -0.928 0.255 10.870 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -2.617 0.001 12.349 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -1.425 -0.699 13.427 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -2.652 1.069 14.507 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -1.016 1.503 14.361 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -2.171 2.182 13.317 1.00 2.31 H new ATOM 1378 N LEU A 87 1.525 -4.351 10.635 1.00 0.61 N ATOM 1379 CA LEU A 87 1.109 -5.747 10.702 1.00 0.70 C ATOM 1380 C LEU A 87 2.314 -6.680 10.640 1.00 0.63 C ATOM 1381 O LEU A 87 2.169 -7.901 10.707 1.00 0.74 O ATOM 1382 CB LEU A 87 0.142 -6.068 9.557 1.00 0.80 C ATOM 1383 CG LEU A 87 -1.294 -6.392 9.982 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.337 -7.667 10.810 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.901 -5.229 10.756 1.00 1.46 C ATOM 0 H LEU A 87 1.623 -3.986 9.688 1.00 0.61 H new ATOM 0 HA LEU A 87 0.601 -5.903 11.654 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.118 -5.218 8.875 1.00 0.80 H new ATOM 0 HB3 LEU A 87 0.537 -6.915 8.997 1.00 0.80 H new ATOM 0 HG LEU A 87 -1.887 -6.551 9.081 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.366 -7.878 11.101 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -0.950 -8.497 10.220 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -0.726 -7.541 11.704 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -2.921 -5.479 11.048 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -1.305 -5.035 11.648 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.912 -4.339 10.126 1.00 1.46 H new ATOM 1397 N LYS A 88 3.503 -6.094 10.513 1.00 0.52 N ATOM 1398 CA LYS A 88 4.738 -6.868 10.443 1.00 0.53 C ATOM 1399 C LYS A 88 4.690 -7.876 9.295 1.00 0.51 C ATOM 1400 O LYS A 88 5.028 -9.047 9.468 1.00 0.56 O ATOM 1401 CB LYS A 88 4.988 -7.593 11.768 1.00 0.69 C ATOM 1402 CG LYS A 88 5.044 -6.661 12.968 1.00 1.16 C ATOM 1403 CD LYS A 88 5.065 -7.436 14.275 1.00 1.45 C ATOM 1404 CE LYS A 88 3.659 -7.726 14.775 1.00 2.05 C ATOM 1405 NZ LYS A 88 3.099 -6.584 15.550 1.00 2.87 N ATOM 0 H LYS A 88 3.636 -5.084 10.457 1.00 0.52 H new ATOM 0 HA LYS A 88 5.559 -6.176 10.256 1.00 0.53 H new ATOM 0 HB2 LYS A 88 4.199 -8.328 11.925 1.00 0.69 H new ATOM 0 HB3 LYS A 88 5.927 -8.143 11.701 1.00 0.69 H new ATOM 0 HG2 LYS A 88 5.933 -6.034 12.902 1.00 1.16 H new ATOM 0 HG3 LYS A 88 4.182 -5.995 12.953 1.00 1.16 H new ATOM 0 HD2 LYS A 88 5.603 -8.374 14.134 1.00 1.45 H new ATOM 0 HD3 LYS A 88 5.610 -6.866 15.028 1.00 1.45 H new ATOM 0 HE2 LYS A 88 3.009 -7.943 13.927 1.00 2.05 H new ATOM 0 HE3 LYS A 88 3.673 -8.618 15.402 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 2.139 -6.821 15.873 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 3.705 -6.393 16.374 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 3.061 -5.739 14.945 1.00 2.87 H new ATOM 1419 N LEU A 89 4.266 -7.409 8.124 1.00 0.47 N ATOM 1420 CA LEU A 89 4.174 -8.267 6.947 1.00 0.46 C ATOM 1421 C LEU A 89 5.473 -8.239 6.147 1.00 0.45 C ATOM 1422 O LEU A 89 5.536 -7.658 5.063 1.00 0.43 O ATOM 1423 CB LEU A 89 3.004 -7.832 6.064 1.00 0.48 C ATOM 1424 CG LEU A 89 1.624 -7.956 6.712 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.587 -7.183 5.912 1.00 1.25 C ATOM 1426 CD2 LEU A 89 1.223 -9.419 6.835 1.00 1.31 C ATOM 0 H LEU A 89 3.981 -6.443 7.965 1.00 0.47 H new ATOM 0 HA LEU A 89 4.003 -9.289 7.286 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.158 -6.794 5.768 1.00 0.48 H new ATOM 0 HB3 LEU A 89 3.015 -8.429 5.152 1.00 0.48 H new ATOM 0 HG LEU A 89 1.674 -7.528 7.713 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -0.388 -7.283 6.388 1.00 1.25 H new ATOM 0 HD12 LEU A 89 0.867 -6.130 5.875 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.538 -7.581 4.899 1.00 1.25 H new ATOM 0 HD21 LEU A 89 0.239 -9.489 7.298 1.00 1.31 H new ATOM 0 HD22 LEU A 89 1.191 -9.872 5.844 1.00 1.31 H new ATOM 0 HD23 LEU A 89 1.952 -9.946 7.451 1.00 1.31 H new ATOM 1438 N HIS A 90 6.510 -8.869 6.694 1.00 0.55 N ATOM 1439 CA HIS A 90 7.812 -8.924 6.040 1.00 0.64 C ATOM 1440 C HIS A 90 7.694 -9.475 4.620 1.00 0.60 C ATOM 1441 O HIS A 90 8.495 -9.141 3.747 1.00 0.69 O ATOM 1442 CB HIS A 90 8.775 -9.793 6.854 1.00 0.81 C ATOM 1443 CG HIS A 90 9.254 -9.143 8.116 1.00 0.97 C ATOM 1444 ND1 HIS A 90 10.461 -9.451 8.709 1.00 1.62 N ATOM 1445 CD2 HIS A 90 8.684 -8.199 8.903 1.00 0.98 C ATOM 1446 CE1 HIS A 90 10.611 -8.728 9.804 1.00 1.84 C ATOM 1447 NE2 HIS A 90 9.546 -7.959 9.943 1.00 1.38 N ATOM 0 H HIS A 90 6.472 -9.350 7.593 1.00 0.55 H new ATOM 0 HA HIS A 90 8.202 -7.908 5.982 1.00 0.64 H new ATOM 0 HB2 HIS A 90 8.280 -10.731 7.105 1.00 0.81 H new ATOM 0 HB3 HIS A 90 9.637 -10.043 6.235 1.00 0.81 H new ATOM 0 HD2 HIS A 90 7.728 -7.723 8.742 1.00 0.98 H new ATOM 0 HE1 HIS A 90 11.459 -8.760 10.472 1.00 1.84 H new ATOM 0 HE2 HIS A 90 9.390 -7.294 10.701 1.00 1.38 H new ATOM 1456 N ASN A 91 6.690 -10.317 4.400 1.00 0.54 N ATOM 1457 CA ASN A 91 6.466 -10.919 3.089 1.00 0.55 C ATOM 1458 C ASN A 91 5.997 -9.878 2.078 1.00 0.46 C ATOM 1459 O ASN A 91 6.580 -9.737 1.002 1.00 0.45 O ATOM 1460 CB ASN A 91 5.434 -12.044 3.195 1.00 0.63 C ATOM 1461 CG ASN A 91 6.066 -13.419 3.108 1.00 1.13 C ATOM 1462 OD1 ASN A 91 6.155 -14.138 4.103 1.00 1.98 O ATOM 1463 ND2 ASN A 91 6.509 -13.792 1.913 1.00 1.60 N ATOM 0 H ASN A 91 6.017 -10.599 5.113 1.00 0.54 H new ATOM 0 HA ASN A 91 7.413 -11.330 2.741 1.00 0.55 H new ATOM 0 HB2 ASN A 91 4.897 -11.953 4.139 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.698 -11.934 2.398 1.00 0.63 H new ATOM 0 HD21 ASN A 91 6.944 -14.707 1.793 1.00 1.60 H new ATOM 0 HD22 ASN A 91 6.415 -13.164 1.115 1.00 1.60 H new ATOM 1470 N ALA A 92 4.937 -9.154 2.430 1.00 0.42 N ATOM 1471 CA ALA A 92 4.377 -8.129 1.555 1.00 0.39 C ATOM 1472 C ALA A 92 5.440 -7.128 1.109 1.00 0.36 C ATOM 1473 O ALA A 92 5.379 -6.599 -0.001 1.00 0.38 O ATOM 1474 CB ALA A 92 3.238 -7.406 2.258 1.00 0.41 C ATOM 0 H ALA A 92 4.448 -9.260 3.319 1.00 0.42 H new ATOM 0 HA ALA A 92 3.993 -8.625 0.664 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.828 -6.643 1.596 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.457 -8.121 2.516 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.612 -6.934 3.167 1.00 0.41 H new ATOM 1480 N MET A 93 6.412 -6.873 1.980 1.00 0.39 N ATOM 1481 CA MET A 93 7.486 -5.932 1.678 1.00 0.43 C ATOM 1482 C MET A 93 8.258 -6.350 0.430 1.00 0.40 C ATOM 1483 O MET A 93 8.435 -5.557 -0.495 1.00 0.39 O ATOM 1484 CB MET A 93 8.444 -5.824 2.865 1.00 0.55 C ATOM 1485 CG MET A 93 7.941 -4.911 3.971 1.00 0.71 C ATOM 1486 SD MET A 93 8.868 -5.103 5.506 1.00 1.06 S ATOM 1487 CE MET A 93 7.566 -4.882 6.715 1.00 1.29 C ATOM 0 H MET A 93 6.478 -7.305 2.901 1.00 0.39 H new ATOM 0 HA MET A 93 7.031 -4.960 1.489 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.614 -6.819 3.276 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.407 -5.456 2.512 1.00 0.55 H new ATOM 0 HG2 MET A 93 8.006 -3.875 3.639 1.00 0.71 H new ATOM 0 HG3 MET A 93 6.888 -5.120 4.159 1.00 0.71 H new ATOM 0 HE1 MET A 93 7.982 -4.973 7.718 1.00 1.29 H new ATOM 0 HE2 MET A 93 7.121 -3.894 6.594 1.00 1.29 H new ATOM 0 HE3 MET A 93 6.801 -5.644 6.569 1.00 1.29 H new ATOM 1497 N ARG A 94 8.714 -7.599 0.413 1.00 0.44 N ATOM 1498 CA ARG A 94 9.477 -8.125 -0.717 1.00 0.45 C ATOM 1499 C ARG A 94 8.692 -8.031 -2.023 1.00 0.44 C ATOM 1500 O ARG A 94 9.269 -8.116 -3.108 1.00 0.49 O ATOM 1501 CB ARG A 94 9.875 -9.578 -0.454 1.00 0.55 C ATOM 1502 CG ARG A 94 10.866 -9.741 0.687 1.00 1.28 C ATOM 1503 CD ARG A 94 11.569 -11.087 0.624 1.00 1.44 C ATOM 1504 NE ARG A 94 12.241 -11.294 -0.656 1.00 1.97 N ATOM 1505 CZ ARG A 94 12.723 -12.467 -1.055 1.00 2.47 C ATOM 1506 NH1 ARG A 94 12.607 -13.535 -0.279 1.00 2.58 N ATOM 1507 NH2 ARG A 94 13.321 -12.572 -2.234 1.00 3.39 N ATOM 0 H ARG A 94 8.569 -8.267 1.170 1.00 0.44 H new ATOM 0 HA ARG A 94 10.374 -7.514 -0.821 1.00 0.45 H new ATOM 0 HB2 ARG A 94 8.979 -10.157 -0.231 1.00 0.55 H new ATOM 0 HB3 ARG A 94 10.307 -9.998 -1.362 1.00 0.55 H new ATOM 0 HG2 ARG A 94 11.605 -8.941 0.646 1.00 1.28 H new ATOM 0 HG3 ARG A 94 10.345 -9.645 1.640 1.00 1.28 H new ATOM 0 HD2 ARG A 94 12.298 -11.153 1.431 1.00 1.44 H new ATOM 0 HD3 ARG A 94 10.842 -11.883 0.785 1.00 1.44 H new ATOM 0 HE ARG A 94 12.347 -10.493 -1.279 1.00 1.97 H new ATOM 0 HH11 ARG A 94 12.147 -13.459 0.628 1.00 2.58 H new ATOM 0 HH12 ARG A 94 12.978 -14.433 -0.589 1.00 2.58 H new ATOM 0 HH21 ARG A 94 13.411 -11.753 -2.835 1.00 3.39 H new ATOM 0 HH22 ARG A 94 13.691 -13.472 -2.540 1.00 3.39 H new ATOM 1521 N LEU A 95 7.378 -7.858 -1.919 1.00 0.44 N ATOM 1522 CA LEU A 95 6.528 -7.762 -3.103 1.00 0.47 C ATOM 1523 C LEU A 95 6.509 -6.342 -3.659 1.00 0.46 C ATOM 1524 O LEU A 95 6.315 -6.140 -4.859 1.00 0.52 O ATOM 1525 CB LEU A 95 5.105 -8.217 -2.775 1.00 0.53 C ATOM 1526 CG LEU A 95 4.464 -9.127 -3.824 1.00 0.55 C ATOM 1527 CD1 LEU A 95 3.499 -10.103 -3.169 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.751 -8.302 -4.884 1.00 0.67 C ATOM 0 H LEU A 95 6.880 -7.782 -1.032 1.00 0.44 H new ATOM 0 HA LEU A 95 6.945 -8.419 -3.867 1.00 0.47 H new ATOM 0 HB2 LEU A 95 5.117 -8.741 -1.819 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.477 -7.335 -2.647 1.00 0.53 H new ATOM 0 HG LEU A 95 5.255 -9.700 -4.309 1.00 0.55 H new ATOM 0 HD11 LEU A 95 3.053 -10.741 -3.932 1.00 0.79 H new ATOM 0 HD12 LEU A 95 4.038 -10.719 -2.449 1.00 0.79 H new ATOM 0 HD13 LEU A 95 2.713 -9.549 -2.656 1.00 0.79 H new ATOM 0 HD21 LEU A 95 3.301 -8.967 -5.621 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.972 -7.701 -4.414 1.00 0.67 H new ATOM 0 HD23 LEU A 95 4.468 -7.645 -5.377 1.00 0.67 H new ATOM 1540 N ILE A 96 6.711 -5.359 -2.785 1.00 0.43 N ATOM 1541 CA ILE A 96 6.720 -3.960 -3.199 1.00 0.50 C ATOM 1542 C ILE A 96 8.107 -3.350 -3.041 1.00 0.61 C ATOM 1543 O ILE A 96 8.289 -2.143 -3.201 1.00 1.29 O ATOM 1544 CB ILE A 96 5.709 -3.123 -2.390 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.884 -3.373 -0.891 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.286 -3.444 -2.825 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.996 -2.103 -0.076 1.00 0.48 C ATOM 0 H ILE A 96 6.870 -5.506 -1.788 1.00 0.43 H new ATOM 0 HA ILE A 96 6.433 -3.942 -4.251 1.00 0.50 H new ATOM 0 HB ILE A 96 5.899 -2.067 -2.585 1.00 0.58 H new ATOM 0 HG12 ILE A 96 5.038 -3.956 -0.527 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.778 -3.976 -0.733 1.00 0.52 H new ATOM 0 HG21 ILE A 96 3.584 -2.845 -2.245 1.00 0.76 H new ATOM 0 HG22 ILE A 96 4.169 -3.215 -3.884 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.084 -4.502 -2.658 1.00 0.76 H new ATOM 0 HD11 ILE A 96 6.118 -2.356 0.977 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.859 -1.529 -0.414 1.00 0.48 H new ATOM 0 HD13 ILE A 96 5.092 -1.508 -0.204 1.00 0.48 H new ATOM 1559 N LYS A 97 9.086 -4.193 -2.726 1.00 0.66 N ATOM 1560 CA LYS A 97 10.459 -3.742 -2.544 1.00 0.66 C ATOM 1561 C LYS A 97 11.074 -3.321 -3.875 1.00 0.82 C ATOM 1562 O LYS A 97 12.065 -2.593 -3.911 1.00 1.43 O ATOM 1563 CB LYS A 97 11.296 -4.851 -1.909 1.00 0.74 C ATOM 1564 CG LYS A 97 11.449 -4.712 -0.403 1.00 1.33 C ATOM 1565 CD LYS A 97 12.898 -4.866 0.029 1.00 1.77 C ATOM 1566 CE LYS A 97 13.149 -6.224 0.663 1.00 2.29 C ATOM 1567 NZ LYS A 97 13.634 -7.221 -0.330 1.00 2.85 N ATOM 0 H LYS A 97 8.952 -5.195 -2.591 1.00 0.66 H new ATOM 0 HA LYS A 97 10.449 -2.877 -1.881 1.00 0.66 H new ATOM 0 HB2 LYS A 97 10.837 -5.814 -2.132 1.00 0.74 H new ATOM 0 HB3 LYS A 97 12.285 -4.856 -2.367 1.00 0.74 H new ATOM 0 HG2 LYS A 97 11.076 -3.738 -0.087 1.00 1.33 H new ATOM 0 HG3 LYS A 97 10.838 -5.464 0.096 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.551 -4.740 -0.834 1.00 1.77 H new ATOM 0 HD3 LYS A 97 13.153 -4.079 0.739 1.00 1.77 H new ATOM 0 HE2 LYS A 97 13.883 -6.121 1.462 1.00 2.29 H new ATOM 0 HE3 LYS A 97 12.229 -6.586 1.121 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 13.793 -8.133 0.143 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 12.923 -7.339 -1.079 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 14.526 -6.888 -0.749 1.00 2.85 H new ATOM 1581 N ASP A 98 10.482 -3.792 -4.966 1.00 0.74 N ATOM 1582 CA ASP A 98 10.965 -3.468 -6.304 1.00 0.85 C ATOM 1583 C ASP A 98 10.773 -1.986 -6.621 1.00 0.73 C ATOM 1584 O ASP A 98 11.206 -1.507 -7.671 1.00 0.84 O ATOM 1585 CB ASP A 98 10.241 -4.323 -7.345 1.00 1.04 C ATOM 1586 CG ASP A 98 11.168 -4.806 -8.444 1.00 1.30 C ATOM 1587 OD1 ASP A 98 11.700 -3.955 -9.187 1.00 1.64 O ATOM 1588 OD2 ASP A 98 11.360 -6.034 -8.560 1.00 1.63 O ATOM 0 H ASP A 98 9.664 -4.401 -4.951 1.00 0.74 H new ATOM 0 HA ASP A 98 12.033 -3.685 -6.337 1.00 0.85 H new ATOM 0 HB2 ASP A 98 9.787 -5.183 -6.852 1.00 1.04 H new ATOM 0 HB3 ASP A 98 9.430 -3.744 -7.786 1.00 1.04 H new ATOM 1593 N TYR A 99 10.124 -1.263 -5.711 1.00 0.60 N ATOM 1594 CA TYR A 99 9.875 0.163 -5.904 1.00 0.64 C ATOM 1595 C TYR A 99 10.763 1.006 -4.994 1.00 0.78 C ATOM 1596 O TYR A 99 11.327 2.013 -5.424 1.00 1.08 O ATOM 1597 CB TYR A 99 8.404 0.484 -5.638 1.00 0.63 C ATOM 1598 CG TYR A 99 7.450 -0.242 -6.559 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.291 0.160 -7.880 1.00 0.74 C ATOM 1600 CD2 TYR A 99 6.711 -1.329 -6.111 1.00 0.75 C ATOM 1601 CE1 TYR A 99 6.420 -0.502 -8.726 1.00 0.84 C ATOM 1602 CE2 TYR A 99 5.840 -1.996 -6.950 1.00 0.92 C ATOM 1603 CZ TYR A 99 5.698 -1.579 -8.257 1.00 0.93 C ATOM 1604 OH TYR A 99 4.832 -2.239 -9.097 1.00 1.13 O ATOM 0 H TYR A 99 9.762 -1.640 -4.835 1.00 0.60 H new ATOM 0 HA TYR A 99 10.115 0.408 -6.939 1.00 0.64 H new ATOM 0 HB2 TYR A 99 8.166 0.227 -4.606 1.00 0.63 H new ATOM 0 HB3 TYR A 99 8.250 1.558 -5.743 1.00 0.63 H new ATOM 0 HD1 TYR A 99 7.856 1.002 -8.251 1.00 0.74 H new ATOM 0 HD2 TYR A 99 6.819 -1.659 -5.088 1.00 0.75 H new ATOM 0 HE1 TYR A 99 6.306 -0.177 -9.750 1.00 0.84 H new ATOM 0 HE2 TYR A 99 5.273 -2.840 -6.585 1.00 0.92 H new ATOM 0 HH TYR A 99 5.161 -2.179 -10.018 1.00 1.13 H new ATOM 1614 N VAL A 100 10.884 0.591 -3.736 1.00 0.68 N ATOM 1615 CA VAL A 100 11.705 1.314 -2.772 1.00 0.84 C ATOM 1616 C VAL A 100 13.090 0.688 -2.653 1.00 1.12 C ATOM 1617 O VAL A 100 13.243 -0.525 -2.799 1.00 1.37 O ATOM 1618 CB VAL A 100 11.045 1.348 -1.378 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.593 1.787 -1.484 1.00 0.99 C ATOM 1620 CG2 VAL A 100 11.148 -0.012 -0.697 1.00 0.84 C ATOM 0 H VAL A 100 10.425 -0.240 -3.362 1.00 0.68 H new ATOM 0 HA VAL A 100 11.800 2.335 -3.142 1.00 0.84 H new ATOM 0 HB VAL A 100 11.579 2.075 -0.766 1.00 0.72 H new ATOM 0 HG11 VAL A 100 9.145 1.805 -0.491 1.00 0.99 H new ATOM 0 HG12 VAL A 100 9.545 2.784 -1.921 1.00 0.99 H new ATOM 0 HG13 VAL A 100 9.047 1.087 -2.116 1.00 0.99 H new ATOM 0 HG21 VAL A 100 10.676 0.036 0.284 1.00 0.84 H new ATOM 0 HG22 VAL A 100 10.644 -0.763 -1.306 1.00 0.84 H new ATOM 0 HG23 VAL A 100 12.198 -0.283 -0.582 1.00 0.84 H new ATOM 1630 N SER A 101 14.090 1.521 -2.378 1.00 1.24 N ATOM 1631 CA SER A 101 15.465 1.052 -2.239 1.00 1.56 C ATOM 1632 C SER A 101 16.420 2.210 -1.977 1.00 1.20 C ATOM 1633 O SER A 101 17.487 2.293 -2.583 1.00 1.50 O ATOM 1634 CB SER A 101 15.897 0.291 -3.490 1.00 2.21 C ATOM 1635 OG SER A 101 15.690 1.065 -4.659 1.00 2.53 O ATOM 0 H SER A 101 13.973 2.526 -2.247 1.00 1.24 H new ATOM 0 HA SER A 101 15.502 0.379 -1.382 1.00 1.56 H new ATOM 0 HB2 SER A 101 16.951 0.023 -3.410 1.00 2.21 H new ATOM 0 HB3 SER A 101 15.336 -0.641 -3.564 1.00 2.21 H new ATOM 0 HG SER A 101 15.977 0.554 -5.445 1.00 2.53 H new ATOM 1641 N GLU A 102 16.015 3.120 -1.096 1.00 1.32 N ATOM 1642 CA GLU A 102 16.857 4.260 -0.743 1.00 1.81 C ATOM 1643 C GLU A 102 17.611 3.991 0.559 1.00 1.95 C ATOM 1644 O GLU A 102 18.835 3.883 0.572 1.00 2.25 O ATOM 1645 CB GLU A 102 16.018 5.537 -0.613 1.00 2.43 C ATOM 1646 CG GLU A 102 14.621 5.309 -0.056 1.00 3.30 C ATOM 1647 CD GLU A 102 14.005 6.575 0.506 1.00 3.82 C ATOM 1648 OE1 GLU A 102 13.706 7.492 -0.287 1.00 4.07 O ATOM 1649 OE2 GLU A 102 13.821 6.649 1.740 1.00 4.26 O ATOM 0 H GLU A 102 15.115 3.092 -0.616 1.00 1.32 H new ATOM 0 HA GLU A 102 17.583 4.403 -1.543 1.00 1.81 H new ATOM 0 HB2 GLU A 102 16.544 6.240 0.032 1.00 2.43 H new ATOM 0 HB3 GLU A 102 15.934 6.005 -1.594 1.00 2.43 H new ATOM 0 HG2 GLU A 102 13.979 4.916 -0.844 1.00 3.30 H new ATOM 0 HG3 GLU A 102 14.665 4.552 0.727 1.00 3.30 H new ATOM 1656 N ASP A 103 16.871 3.925 1.661 1.00 1.90 N ATOM 1657 CA ASP A 103 17.456 3.653 2.971 1.00 2.17 C ATOM 1658 C ASP A 103 17.435 2.159 3.303 1.00 1.97 C ATOM 1659 O ASP A 103 18.009 1.732 4.305 1.00 2.18 O ATOM 1660 CB ASP A 103 16.705 4.432 4.052 1.00 2.39 C ATOM 1661 CG ASP A 103 17.418 4.405 5.390 1.00 2.79 C ATOM 1662 OD1 ASP A 103 18.665 4.444 5.399 1.00 3.15 O ATOM 1663 OD2 ASP A 103 16.727 4.347 6.431 1.00 3.12 O ATOM 0 H ASP A 103 15.860 4.057 1.673 1.00 1.90 H new ATOM 0 HA ASP A 103 18.497 3.975 2.940 1.00 2.17 H new ATOM 0 HB2 ASP A 103 16.582 5.466 3.731 1.00 2.39 H new ATOM 0 HB3 ASP A 103 15.705 4.013 4.168 1.00 2.39 H new ATOM 1668 N LEU A 104 16.773 1.370 2.461 1.00 1.66 N ATOM 1669 CA LEU A 104 16.630 -0.066 2.706 1.00 1.57 C ATOM 1670 C LEU A 104 17.805 -0.905 2.205 1.00 1.70 C ATOM 1671 O LEU A 104 18.398 -1.649 2.981 1.00 1.91 O ATOM 1672 CB LEU A 104 15.335 -0.575 2.074 1.00 1.43 C ATOM 1673 CG LEU A 104 14.178 0.425 2.083 1.00 1.27 C ATOM 1674 CD1 LEU A 104 14.037 1.088 0.723 1.00 1.68 C ATOM 1675 CD2 LEU A 104 12.882 -0.263 2.483 1.00 1.73 C ATOM 0 H LEU A 104 16.327 1.698 1.604 1.00 1.66 H new ATOM 0 HA LEU A 104 16.607 -0.184 3.789 1.00 1.57 H new ATOM 0 HB2 LEU A 104 15.540 -0.862 1.043 1.00 1.43 H new ATOM 0 HB3 LEU A 104 15.021 -1.477 2.600 1.00 1.43 H new ATOM 0 HG LEU A 104 14.396 1.199 2.819 1.00 1.27 H new ATOM 0 HD11 LEU A 104 13.209 1.796 0.748 1.00 1.68 H new ATOM 0 HD12 LEU A 104 14.959 1.616 0.478 1.00 1.68 H new ATOM 0 HD13 LEU A 104 13.842 0.328 -0.034 1.00 1.68 H new ATOM 0 HD21 LEU A 104 12.070 0.464 2.484 1.00 1.73 H new ATOM 0 HD22 LEU A 104 12.657 -1.058 1.771 1.00 1.73 H new ATOM 0 HD23 LEU A 104 12.989 -0.689 3.481 1.00 1.73 H new ATOM 1687 N HIS A 105 18.127 -0.806 0.915 1.00 1.83 N ATOM 1688 CA HIS A 105 19.214 -1.602 0.333 1.00 2.15 C ATOM 1689 C HIS A 105 20.455 -1.635 1.231 1.00 2.44 C ATOM 1690 O HIS A 105 21.318 -0.759 1.167 1.00 2.79 O ATOM 1691 CB HIS A 105 19.578 -1.099 -1.069 1.00 2.42 C ATOM 1692 CG HIS A 105 20.074 0.309 -1.104 1.00 2.36 C ATOM 1693 ND1 HIS A 105 21.333 0.653 -1.550 1.00 2.91 N ATOM 1694 CD2 HIS A 105 19.475 1.463 -0.746 1.00 2.29 C ATOM 1695 CE1 HIS A 105 21.486 1.961 -1.463 1.00 3.15 C ATOM 1696 NE2 HIS A 105 20.372 2.478 -0.978 1.00 2.81 N ATOM 0 H HIS A 105 17.656 -0.188 0.255 1.00 1.83 H new ATOM 0 HA HIS A 105 18.845 -2.624 0.251 1.00 2.15 H new ATOM 0 HB2 HIS A 105 20.342 -1.752 -1.490 1.00 2.42 H new ATOM 0 HB3 HIS A 105 18.701 -1.180 -1.711 1.00 2.42 H new ATOM 0 HD2 HIS A 105 18.476 1.570 -0.350 1.00 2.29 H new ATOM 0 HE1 HIS A 105 22.371 2.514 -1.741 1.00 3.15 H new ATOM 0 HE2 HIS A 105 20.205 3.469 -0.804 1.00 2.81 H new ATOM 1705 N LYS A 106 20.523 -2.669 2.067 1.00 2.38 N ATOM 1706 CA LYS A 106 21.640 -2.867 2.987 1.00 2.72 C ATOM 1707 C LYS A 106 21.422 -4.137 3.806 1.00 2.73 C ATOM 1708 O LYS A 106 22.360 -4.889 4.070 1.00 3.11 O ATOM 1709 CB LYS A 106 21.818 -1.656 3.916 1.00 2.83 C ATOM 1710 CG LYS A 106 20.676 -1.443 4.902 1.00 2.56 C ATOM 1711 CD LYS A 106 21.028 -1.966 6.284 1.00 2.86 C ATOM 1712 CE LYS A 106 19.982 -1.568 7.314 1.00 3.00 C ATOM 1713 NZ LYS A 106 20.095 -2.373 8.561 1.00 3.43 N ATOM 0 H LYS A 106 19.806 -3.392 2.125 1.00 2.38 H new ATOM 0 HA LYS A 106 22.551 -2.973 2.399 1.00 2.72 H new ATOM 0 HB2 LYS A 106 22.746 -1.776 4.475 1.00 2.83 H new ATOM 0 HB3 LYS A 106 21.927 -0.759 3.306 1.00 2.83 H new ATOM 0 HG2 LYS A 106 20.440 -0.381 4.963 1.00 2.56 H new ATOM 0 HG3 LYS A 106 19.781 -1.948 4.538 1.00 2.56 H new ATOM 0 HD2 LYS A 106 21.114 -3.052 6.252 1.00 2.86 H new ATOM 0 HD3 LYS A 106 22.001 -1.578 6.584 1.00 2.86 H new ATOM 0 HE2 LYS A 106 20.093 -0.510 7.554 1.00 3.00 H new ATOM 0 HE3 LYS A 106 18.987 -1.696 6.888 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 19.269 -2.193 9.166 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 20.134 -3.384 8.319 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 20.962 -2.105 9.070 1.00 3.43 H new ATOM 1727 N TYR A 107 20.173 -4.363 4.201 1.00 2.40 N ATOM 1728 CA TYR A 107 19.807 -5.539 4.980 1.00 2.46 C ATOM 1729 C TYR A 107 19.234 -6.624 4.073 1.00 2.35 C ATOM 1730 O TYR A 107 19.044 -7.765 4.496 1.00 2.42 O ATOM 1731 CB TYR A 107 18.781 -5.162 6.051 1.00 2.46 C ATOM 1732 CG TYR A 107 17.428 -4.791 5.483 1.00 2.20 C ATOM 1733 CD1 TYR A 107 17.156 -3.490 5.080 1.00 2.03 C ATOM 1734 CD2 TYR A 107 16.421 -5.740 5.355 1.00 2.20 C ATOM 1735 CE1 TYR A 107 15.922 -3.144 4.567 1.00 1.88 C ATOM 1736 CE2 TYR A 107 15.185 -5.403 4.842 1.00 2.07 C ATOM 1737 CZ TYR A 107 14.945 -4.115 4.429 1.00 1.92 C ATOM 1738 OH TYR A 107 13.708 -3.765 3.938 1.00 1.91 O ATOM 0 H TYR A 107 19.392 -3.741 3.992 1.00 2.40 H new ATOM 0 HA TYR A 107 20.704 -5.925 5.464 1.00 2.46 H new ATOM 0 HB2 TYR A 107 18.661 -5.999 6.739 1.00 2.46 H new ATOM 0 HB3 TYR A 107 19.165 -4.324 6.632 1.00 2.46 H new ATOM 0 HD1 TYR A 107 17.924 -2.736 5.170 1.00 2.03 H new ATOM 0 HD2 TYR A 107 16.609 -6.758 5.662 1.00 2.20 H new ATOM 0 HE1 TYR A 107 15.720 -2.124 4.276 1.00 1.88 H new ATOM 0 HE2 TYR A 107 14.409 -6.150 4.765 1.00 2.07 H new ATOM 0 HH TYR A 107 13.134 -4.559 3.901 1.00 1.91 H new ATOM 1748 N ILE A 108 18.958 -6.252 2.824 1.00 2.27 N ATOM 1749 CA ILE A 108 18.386 -7.175 1.850 1.00 2.27 C ATOM 1750 C ILE A 108 19.188 -8.478 1.776 1.00 2.49 C ATOM 1751 O ILE A 108 20.401 -8.456 1.559 1.00 2.67 O ATOM 1752 CB ILE A 108 18.313 -6.525 0.448 1.00 2.29 C ATOM 1753 CG1 ILE A 108 17.014 -5.728 0.302 1.00 2.08 C ATOM 1754 CG2 ILE A 108 18.414 -7.574 -0.652 1.00 2.59 C ATOM 1755 CD1 ILE A 108 17.026 -4.407 1.038 1.00 1.86 C ATOM 0 H ILE A 108 19.123 -5.312 2.463 1.00 2.27 H new ATOM 0 HA ILE A 108 17.375 -7.410 2.184 1.00 2.27 H new ATOM 0 HB ILE A 108 19.160 -5.847 0.346 1.00 2.29 H new ATOM 0 HG12 ILE A 108 16.829 -5.543 -0.756 1.00 2.08 H new ATOM 0 HG13 ILE A 108 16.184 -6.332 0.670 1.00 2.08 H new ATOM 0 HG21 ILE A 108 18.360 -7.087 -1.626 1.00 2.59 H new ATOM 0 HG22 ILE A 108 19.363 -8.104 -0.564 1.00 2.59 H new ATOM 0 HG23 ILE A 108 17.592 -8.283 -0.555 1.00 2.59 H new ATOM 0 HD11 ILE A 108 16.073 -3.899 0.889 1.00 1.86 H new ATOM 0 HD12 ILE A 108 17.180 -4.585 2.102 1.00 1.86 H new ATOM 0 HD13 ILE A 108 17.834 -3.784 0.654 1.00 1.86 H new ATOM 1767 N PRO A 109 18.516 -9.634 1.958 1.00 2.54 N ATOM 1768 CA PRO A 109 19.166 -10.941 1.909 1.00 2.77 C ATOM 1769 C PRO A 109 19.287 -11.478 0.486 1.00 3.02 C ATOM 1770 O PRO A 109 18.837 -10.841 -0.467 1.00 3.11 O ATOM 1771 CB PRO A 109 18.224 -11.812 2.733 1.00 2.80 C ATOM 1772 CG PRO A 109 16.870 -11.232 2.495 1.00 2.70 C ATOM 1773 CD PRO A 109 17.068 -9.759 2.232 1.00 2.48 C ATOM 0 HA PRO A 109 20.190 -10.912 2.282 1.00 2.77 H new ATOM 0 HB2 PRO A 109 18.270 -12.854 2.417 1.00 2.80 H new ATOM 0 HB3 PRO A 109 18.485 -11.788 3.791 1.00 2.80 H new ATOM 0 HG2 PRO A 109 16.386 -11.715 1.646 1.00 2.70 H new ATOM 0 HG3 PRO A 109 16.225 -11.387 3.360 1.00 2.70 H new ATOM 0 HD2 PRO A 109 16.471 -9.421 1.385 1.00 2.48 H new ATOM 0 HD3 PRO A 109 16.771 -9.157 3.091 1.00 2.48 H new ATOM 1781 N ARG A 110 19.893 -12.656 0.353 1.00 3.26 N ATOM 1782 CA ARG A 110 20.075 -13.287 -0.951 1.00 3.61 C ATOM 1783 C ARG A 110 20.764 -12.337 -1.927 1.00 3.87 C ATOM 1784 O ARG A 110 20.533 -12.473 -3.148 1.00 4.38 O ATOM 1785 CB ARG A 110 18.725 -13.735 -1.519 1.00 4.21 C ATOM 1786 CG ARG A 110 18.713 -15.178 -1.994 1.00 4.62 C ATOM 1787 CD ARG A 110 17.472 -15.485 -2.816 1.00 5.34 C ATOM 1788 NE ARG A 110 17.648 -16.667 -3.656 1.00 5.83 N ATOM 1789 CZ ARG A 110 16.857 -17.735 -3.605 1.00 6.55 C ATOM 1790 NH1 ARG A 110 15.843 -17.774 -2.751 1.00 6.84 N ATOM 1791 NH2 ARG A 110 17.081 -18.766 -4.408 1.00 7.27 N ATOM 1792 OXT ARG A 110 21.530 -11.466 -1.463 1.00 4.05 O ATOM 0 H ARG A 110 20.267 -13.193 1.135 1.00 3.26 H new ATOM 0 HA ARG A 110 20.712 -14.162 -0.817 1.00 3.61 H new ATOM 0 HB2 ARG A 110 17.958 -13.607 -0.755 1.00 4.21 H new ATOM 0 HB3 ARG A 110 18.457 -13.085 -2.352 1.00 4.21 H new ATOM 0 HG2 ARG A 110 19.604 -15.373 -2.592 1.00 4.62 H new ATOM 0 HG3 ARG A 110 18.755 -15.846 -1.133 1.00 4.62 H new ATOM 0 HD2 ARG A 110 16.624 -15.638 -2.148 1.00 5.34 H new ATOM 0 HD3 ARG A 110 17.232 -14.627 -3.444 1.00 5.34 H new ATOM 0 HE ARG A 110 18.422 -16.674 -4.320 1.00 5.83 H new ATOM 0 HH11 ARG A 110 15.668 -16.983 -2.131 1.00 6.84 H new ATOM 0 HH12 ARG A 110 15.238 -18.595 -2.714 1.00 6.84 H new ATOM 0 HH21 ARG A 110 17.860 -18.740 -5.065 1.00 7.27 H new ATOM 0 HH22 ARG A 110 16.474 -19.585 -4.368 1.00 7.27 H new TER 1806 ARG A 110