USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0658 (180deg=-0.191) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.25) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.428 K(o=-0.43,f=-1.1) USER MOD Single : A 8 HIS : no HD1:sc=-0.00454 X(o=-0.0045,f=-0.074) USER MOD Single : A 9 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.33) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.159 F(o=-1,f=-0.16) USER MOD Single : A 12 SER OG : rot 180:sc= 0.158 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0694 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -126:sc= 1.21 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -54:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot 72:sc= -0.619 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -32:sc= 0.727 USER MOD Single : A 46 GLN : amide:sc= -8.42! C(o=-8.4!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -150:sc= 0.569 USER MOD Single : A 57 ASN : amide:sc= -3.17 K(o=-3.2,f=-8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-3.7!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.066 F(o=-1.4,f=-0.066) USER MOD Single : A 85 TYR OH : rot -18:sc= 1.26 USER MOD Single : A 88 ASN : amide:sc= -0.625 K(o=-0.63,f=-2) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0716 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -111:sc= 0.359 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 2.695 -1.377 -1.510 1.00 13.44 C ATOM 4 O MET A 1 2.441 -2.329 -0.773 1.00 31.01 O ATOM 5 CB MET A 1 3.202 1.052 -1.185 1.00 32.43 C ATOM 6 CG MET A 1 2.695 2.453 -0.886 1.00 52.10 C ATOM 7 SD MET A 1 3.986 3.704 -1.026 1.00 62.44 S ATOM 8 CE MET A 1 3.952 4.029 -2.787 1.00 50.53 C ATOM 0 H1 MET A 1 0.446 0.532 -0.136 1.00 0.00 H new ATOM 0 H2 MET A 1 1.105 -0.979 0.271 1.00 0.00 H new ATOM 0 H3 MET A 1 1.890 0.448 0.752 1.00 0.00 H new ATOM 0 HA MET A 1 1.412 0.243 -2.058 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.925 0.765 -0.421 1.00 32.43 H new ATOM 0 HB3 MET A 1 3.732 1.062 -2.138 1.00 32.43 H new ATOM 0 HG2 MET A 1 1.884 2.696 -1.572 1.00 52.10 H new ATOM 0 HG3 MET A 1 2.279 2.477 0.121 1.00 52.10 H new ATOM 0 HE1 MET A 1 4.698 4.785 -3.032 1.00 50.53 H new ATOM 0 HE2 MET A 1 4.174 3.111 -3.331 1.00 50.53 H new ATOM 0 HE3 MET A 1 2.963 4.389 -3.071 1.00 50.53 H new ATOM 18 N ALA A 2 3.493 -1.473 -2.568 1.00 53.00 N ATOM 19 CA ALA A 2 4.132 -2.732 -2.931 1.00 14.11 C ATOM 20 C ALA A 2 5.476 -2.888 -2.228 1.00 35.14 C ATOM 21 O ALA A 2 6.209 -1.917 -2.047 1.00 64.31 O ATOM 22 CB ALA A 2 4.310 -2.818 -4.439 1.00 40.55 C ATOM 0 H ALA A 2 3.713 -0.694 -3.189 1.00 53.00 H new ATOM 0 HA ALA A 2 3.485 -3.546 -2.606 1.00 14.11 H new ATOM 0 HB1 ALA A 2 4.788 -3.763 -4.696 1.00 40.55 H new ATOM 0 HB2 ALA A 2 3.336 -2.761 -4.924 1.00 40.55 H new ATOM 0 HB3 ALA A 2 4.934 -1.992 -4.779 1.00 40.55 H new ATOM 28 N GLY A 3 5.792 -4.117 -1.831 1.00 72.44 N ATOM 29 CA GLY A 3 7.047 -4.378 -1.151 1.00 41.33 C ATOM 30 C GLY A 3 7.417 -5.848 -1.160 1.00 10.35 C ATOM 31 O GLY A 3 7.159 -6.565 -0.193 1.00 73.12 O ATOM 0 H GLY A 3 5.201 -4.937 -1.968 1.00 72.44 H new ATOM 0 HA2 GLY A 3 7.841 -3.804 -1.628 1.00 41.33 H new ATOM 0 HA3 GLY A 3 6.977 -4.030 -0.120 1.00 41.33 H new ATOM 35 N SER A 4 8.022 -6.298 -2.254 1.00 3.11 N ATOM 36 CA SER A 4 8.423 -7.694 -2.386 1.00 43.43 C ATOM 37 C SER A 4 7.216 -8.619 -2.272 1.00 53.05 C ATOM 38 O SER A 4 6.815 -9.003 -1.173 1.00 72.13 O ATOM 39 CB SER A 4 9.458 -8.053 -1.318 1.00 12.52 C ATOM 40 OG SER A 4 10.111 -9.271 -1.629 1.00 41.24 O ATOM 0 H SER A 4 8.245 -5.717 -3.062 1.00 3.11 H new ATOM 0 HA SER A 4 8.868 -7.826 -3.372 1.00 43.43 H new ATOM 0 HB2 SER A 4 10.194 -7.253 -1.237 1.00 12.52 H new ATOM 0 HB3 SER A 4 8.969 -8.136 -0.347 1.00 12.52 H new ATOM 0 HG SER A 4 10.768 -9.477 -0.932 1.00 41.24 H new ATOM 46 N HIS A 5 6.640 -8.973 -3.417 1.00 33.42 N ATOM 47 CA HIS A 5 5.478 -9.854 -3.447 1.00 74.41 C ATOM 48 C HIS A 5 5.489 -10.726 -4.699 1.00 63.31 C ATOM 49 O HIS A 5 5.028 -10.310 -5.762 1.00 73.22 O ATOM 50 CB HIS A 5 4.188 -9.035 -3.394 1.00 41.44 C ATOM 51 CG HIS A 5 3.487 -9.106 -2.073 1.00 53.40 C ATOM 52 ND1 HIS A 5 3.273 -10.288 -1.397 1.00 22.31 N ATOM 53 CD2 HIS A 5 2.951 -8.131 -1.302 1.00 15.02 C ATOM 54 CE1 HIS A 5 2.634 -10.038 -0.268 1.00 24.31 C ATOM 55 NE2 HIS A 5 2.427 -8.736 -0.186 1.00 21.41 N ATOM 0 H HIS A 5 6.959 -8.664 -4.335 1.00 33.42 H new ATOM 0 HA HIS A 5 5.523 -10.503 -2.573 1.00 74.41 H new ATOM 0 HB2 HIS A 5 4.419 -7.994 -3.618 1.00 41.44 H new ATOM 0 HB3 HIS A 5 3.512 -9.386 -4.174 1.00 41.44 H new ATOM 0 HD2 HIS A 5 2.938 -7.074 -1.523 1.00 15.02 H new ATOM 0 HE1 HIS A 5 2.332 -10.773 0.463 1.00 24.31 H new ATOM 0 HE2 HIS A 5 1.955 -8.258 0.581 1.00 21.41 H new ATOM 63 N HIS A 6 6.021 -11.938 -4.566 1.00 13.50 N ATOM 64 CA HIS A 6 6.093 -12.868 -5.687 1.00 34.12 C ATOM 65 C HIS A 6 5.170 -14.062 -5.462 1.00 31.23 C ATOM 66 O HIS A 6 4.878 -14.428 -4.323 1.00 21.23 O ATOM 67 CB HIS A 6 7.530 -13.350 -5.886 1.00 0.24 C ATOM 68 CG HIS A 6 8.309 -12.524 -6.863 1.00 74.42 C ATOM 69 ND1 HIS A 6 9.380 -11.737 -6.498 1.00 61.00 N ATOM 70 CD2 HIS A 6 8.167 -12.368 -8.200 1.00 40.12 C ATOM 71 CE1 HIS A 6 9.863 -11.131 -7.568 1.00 11.42 C ATOM 72 NE2 HIS A 6 9.145 -11.497 -8.614 1.00 53.10 N ATOM 0 H HIS A 6 6.408 -12.298 -3.694 1.00 13.50 H new ATOM 0 HA HIS A 6 5.767 -12.343 -6.585 1.00 34.12 H new ATOM 0 HB2 HIS A 6 8.044 -13.341 -4.925 1.00 0.24 H new ATOM 0 HB3 HIS A 6 7.513 -14.384 -6.229 1.00 0.24 H new ATOM 0 HD2 HIS A 6 7.423 -12.840 -8.825 1.00 40.12 H new ATOM 0 HE1 HIS A 6 10.702 -10.452 -7.584 1.00 11.42 H new ATOM 0 HE2 HIS A 6 9.293 -11.184 -9.573 1.00 53.10 H new ATOM 80 N HIS A 7 4.713 -14.665 -6.555 1.00 30.34 N ATOM 81 CA HIS A 7 3.823 -15.818 -6.476 1.00 71.21 C ATOM 82 C HIS A 7 4.109 -16.803 -7.606 1.00 15.10 C ATOM 83 O HIS A 7 4.384 -17.979 -7.364 1.00 14.41 O ATOM 84 CB HIS A 7 2.363 -15.367 -6.534 1.00 62.00 C ATOM 85 CG HIS A 7 1.958 -14.500 -5.382 1.00 43.31 C ATOM 86 ND1 HIS A 7 2.198 -13.142 -5.341 1.00 62.41 N ATOM 87 CD2 HIS A 7 1.324 -14.803 -4.225 1.00 63.23 C ATOM 88 CE1 HIS A 7 1.731 -12.649 -4.208 1.00 41.13 C ATOM 89 NE2 HIS A 7 1.195 -13.636 -3.513 1.00 63.13 N ATOM 0 H HIS A 7 4.944 -14.375 -7.505 1.00 30.34 H new ATOM 0 HA HIS A 7 4.003 -16.320 -5.525 1.00 71.21 H new ATOM 0 HB2 HIS A 7 2.196 -14.823 -7.464 1.00 62.00 H new ATOM 0 HB3 HIS A 7 1.720 -16.247 -6.560 1.00 62.00 H new ATOM 0 HD2 HIS A 7 0.983 -15.781 -3.919 1.00 63.23 H new ATOM 0 HE1 HIS A 7 1.779 -11.614 -3.902 1.00 41.13 H new ATOM 0 HE2 HIS A 7 0.757 -13.546 -2.596 1.00 63.13 H new ATOM 97 N HIS A 8 4.041 -16.315 -8.841 1.00 33.42 N ATOM 98 CA HIS A 8 4.292 -17.153 -10.008 1.00 51.13 C ATOM 99 C HIS A 8 5.715 -17.701 -9.987 1.00 65.33 C ATOM 100 O HIS A 8 6.595 -17.148 -9.326 1.00 61.33 O ATOM 101 CB HIS A 8 4.058 -16.357 -11.293 1.00 22.32 C ATOM 102 CG HIS A 8 2.668 -15.813 -11.416 1.00 3.13 C ATOM 103 ND1 HIS A 8 1.580 -16.378 -10.785 1.00 61.42 N ATOM 104 CD2 HIS A 8 2.192 -14.747 -12.100 1.00 45.34 C ATOM 105 CE1 HIS A 8 0.495 -15.685 -11.078 1.00 52.52 C ATOM 106 NE2 HIS A 8 0.839 -14.689 -11.875 1.00 2.45 N ATOM 0 H HIS A 8 3.814 -15.345 -9.059 1.00 33.42 H new ATOM 0 HA HIS A 8 3.598 -17.993 -9.978 1.00 51.13 H new ATOM 0 HB2 HIS A 8 4.768 -15.531 -11.333 1.00 22.32 H new ATOM 0 HB3 HIS A 8 4.266 -16.997 -12.150 1.00 22.32 H new ATOM 0 HD2 HIS A 8 2.769 -14.068 -12.710 1.00 45.34 H new ATOM 0 HE1 HIS A 8 -0.504 -15.896 -10.726 1.00 52.52 H new ATOM 0 HE2 HIS A 8 0.203 -13.991 -12.260 1.00 2.45 H new ATOM 114 N HIS A 9 5.935 -18.792 -10.714 1.00 61.25 N ATOM 115 CA HIS A 9 7.252 -19.416 -10.779 1.00 43.51 C ATOM 116 C HIS A 9 7.690 -19.904 -9.402 1.00 3.14 C ATOM 117 O HIS A 9 7.072 -19.573 -8.389 1.00 25.31 O ATOM 118 CB HIS A 9 8.280 -18.429 -11.334 1.00 0.11 C ATOM 119 CG HIS A 9 8.879 -18.858 -12.638 1.00 23.13 C ATOM 120 ND1 HIS A 9 8.160 -19.506 -13.620 1.00 11.33 N ATOM 121 CD2 HIS A 9 10.138 -18.728 -13.119 1.00 55.54 C ATOM 122 CE1 HIS A 9 8.950 -19.756 -14.648 1.00 70.43 C ATOM 123 NE2 HIS A 9 10.155 -19.294 -14.370 1.00 45.12 N ATOM 0 H HIS A 9 5.218 -19.262 -11.266 1.00 61.25 H new ATOM 0 HA HIS A 9 7.187 -20.276 -11.446 1.00 43.51 H new ATOM 0 HB2 HIS A 9 7.805 -17.457 -11.464 1.00 0.11 H new ATOM 0 HB3 HIS A 9 9.078 -18.298 -10.603 1.00 0.11 H new ATOM 0 HD2 HIS A 9 10.973 -18.266 -12.613 1.00 55.54 H new ATOM 0 HE1 HIS A 9 8.660 -20.254 -15.561 1.00 70.43 H new ATOM 0 HE2 HIS A 9 10.967 -19.349 -14.985 1.00 45.12 H new ATOM 131 N HIS A 10 8.760 -20.693 -9.371 1.00 74.02 N ATOM 132 CA HIS A 10 9.280 -21.227 -8.118 1.00 22.23 C ATOM 133 C HIS A 10 10.781 -20.979 -8.003 1.00 63.44 C ATOM 134 O HIS A 10 11.381 -20.333 -8.861 1.00 70.25 O ATOM 135 CB HIS A 10 8.990 -22.725 -8.017 1.00 54.14 C ATOM 136 CG HIS A 10 7.528 -23.049 -7.961 1.00 65.24 C ATOM 137 ND1 HIS A 10 6.524 -22.762 -8.822 1.00 54.15 N flip ATOM 138 CD2 HIS A 10 6.953 -23.751 -6.923 1.00 43.23 C flip ATOM 139 CE1 HIS A 10 5.372 -23.291 -8.295 1.00 54.32 C flip ATOM 140 NE2 HIS A 10 5.658 -23.883 -7.149 1.00 10.21 N flip ATOM 0 H HIS A 10 9.283 -20.976 -10.199 1.00 74.02 H new ATOM 0 HA HIS A 10 8.780 -20.712 -7.298 1.00 22.23 H new ATOM 0 HB2 HIS A 10 9.434 -23.231 -8.874 1.00 54.14 H new ATOM 0 HB3 HIS A 10 9.476 -23.122 -7.126 1.00 54.14 H new ATOM 0 HD2 HIS A 10 7.479 -24.133 -6.060 1.00 43.23 H new ATOM 0 HE1 HIS A 10 4.392 -23.233 -8.744 1.00 54.32 H new ATOM 0 HE2 HIS A 10 4.992 -24.361 -6.542 1.00 10.21 H new ATOM 148 N GLY A 11 11.382 -21.497 -6.936 1.00 63.44 N ATOM 149 CA GLY A 11 12.808 -21.321 -6.729 1.00 52.40 C ATOM 150 C GLY A 11 13.405 -22.403 -5.851 1.00 54.25 C ATOM 151 O GLY A 11 12.721 -23.355 -5.477 1.00 73.42 O ATOM 0 H GLY A 11 10.907 -22.035 -6.211 1.00 63.44 H new ATOM 0 HA2 GLY A 11 13.315 -21.320 -7.694 1.00 52.40 H new ATOM 0 HA3 GLY A 11 12.988 -20.347 -6.273 1.00 52.40 H new ATOM 155 N SER A 12 14.685 -22.258 -5.523 1.00 55.44 N ATOM 156 CA SER A 12 15.375 -23.234 -4.689 1.00 2.21 C ATOM 157 C SER A 12 15.277 -24.631 -5.293 1.00 31.30 C ATOM 158 O SER A 12 14.766 -24.807 -6.399 1.00 10.33 O ATOM 159 CB SER A 12 14.789 -23.234 -3.276 1.00 34.21 C ATOM 160 OG SER A 12 15.676 -23.844 -2.355 1.00 65.12 O ATOM 0 H SER A 12 15.265 -21.474 -5.822 1.00 55.44 H new ATOM 0 HA SER A 12 16.427 -22.953 -4.638 1.00 2.21 H new ATOM 0 HB2 SER A 12 14.584 -22.210 -2.964 1.00 34.21 H new ATOM 0 HB3 SER A 12 13.837 -23.764 -3.274 1.00 34.21 H new ATOM 0 HG SER A 12 15.278 -23.829 -1.459 1.00 65.12 H new ATOM 166 N MET A 13 15.770 -25.623 -4.558 1.00 44.32 N ATOM 167 CA MET A 13 15.738 -27.005 -5.020 1.00 75.53 C ATOM 168 C MET A 13 15.008 -27.896 -4.020 1.00 12.14 C ATOM 169 O MET A 13 15.511 -28.160 -2.927 1.00 55.25 O ATOM 170 CB MET A 13 17.159 -27.526 -5.242 1.00 2.35 C ATOM 171 CG MET A 13 17.881 -26.850 -6.396 1.00 11.41 C ATOM 172 SD MET A 13 18.110 -27.946 -7.809 1.00 43.31 S ATOM 173 CE MET A 13 18.783 -26.806 -9.016 1.00 55.31 C ATOM 0 H MET A 13 16.196 -25.495 -3.640 1.00 44.32 H new ATOM 0 HA MET A 13 15.198 -27.032 -5.966 1.00 75.53 H new ATOM 0 HB2 MET A 13 17.737 -27.382 -4.329 1.00 2.35 H new ATOM 0 HB3 MET A 13 17.119 -28.599 -5.428 1.00 2.35 H new ATOM 0 HG2 MET A 13 17.315 -25.973 -6.710 1.00 11.41 H new ATOM 0 HG3 MET A 13 18.854 -26.496 -6.054 1.00 11.41 H new ATOM 0 HE1 MET A 13 18.978 -27.336 -9.948 1.00 55.31 H new ATOM 0 HE2 MET A 13 18.067 -26.004 -9.198 1.00 55.31 H new ATOM 0 HE3 MET A 13 19.713 -26.383 -8.638 1.00 55.31 H new ATOM 183 N SER A 14 13.820 -28.355 -4.399 1.00 72.55 N ATOM 184 CA SER A 14 13.019 -29.213 -3.533 1.00 42.13 C ATOM 185 C SER A 14 12.084 -30.094 -4.356 1.00 14.24 C ATOM 186 O SER A 14 11.691 -29.734 -5.465 1.00 1.12 O ATOM 187 CB SER A 14 12.208 -28.366 -2.551 1.00 23.15 C ATOM 188 OG SER A 14 11.285 -29.164 -1.831 1.00 30.44 O ATOM 0 H SER A 14 13.390 -28.147 -5.300 1.00 72.55 H new ATOM 0 HA SER A 14 13.697 -29.857 -2.973 1.00 42.13 H new ATOM 0 HB2 SER A 14 12.881 -27.866 -1.855 1.00 23.15 H new ATOM 0 HB3 SER A 14 11.674 -27.586 -3.094 1.00 23.15 H new ATOM 0 HG SER A 14 10.780 -28.600 -1.209 1.00 30.44 H new ATOM 194 N GLU A 15 11.731 -31.250 -3.802 1.00 70.01 N ATOM 195 CA GLU A 15 10.842 -32.183 -4.485 1.00 22.15 C ATOM 196 C GLU A 15 9.524 -32.330 -3.730 1.00 22.15 C ATOM 197 O GLU A 15 9.239 -31.571 -2.803 1.00 50.11 O ATOM 198 CB GLU A 15 11.515 -33.550 -4.629 1.00 11.20 C ATOM 199 CG GLU A 15 11.550 -34.063 -6.059 1.00 0.12 C ATOM 200 CD GLU A 15 11.783 -35.559 -6.136 1.00 74.31 C ATOM 201 OE1 GLU A 15 12.796 -36.031 -5.579 1.00 62.03 O ATOM 202 OE2 GLU A 15 10.952 -36.258 -6.753 1.00 30.30 O ATOM 0 H GLU A 15 12.046 -31.562 -2.884 1.00 70.01 H new ATOM 0 HA GLU A 15 10.630 -31.784 -5.477 1.00 22.15 H new ATOM 0 HB2 GLU A 15 12.535 -33.485 -4.250 1.00 11.20 H new ATOM 0 HB3 GLU A 15 10.988 -34.272 -4.005 1.00 11.20 H new ATOM 0 HG2 GLU A 15 10.608 -33.820 -6.551 1.00 0.12 H new ATOM 0 HG3 GLU A 15 12.339 -33.547 -6.607 1.00 0.12 H new ATOM 209 N TYR A 16 8.725 -33.311 -4.133 1.00 34.11 N ATOM 210 CA TYR A 16 7.435 -33.556 -3.497 1.00 65.54 C ATOM 211 C TYR A 16 7.258 -35.038 -3.181 1.00 35.24 C ATOM 212 O TYR A 16 8.128 -35.857 -3.479 1.00 12.24 O ATOM 213 CB TYR A 16 6.298 -33.077 -4.401 1.00 3.41 C ATOM 214 CG TYR A 16 6.464 -33.480 -5.849 1.00 34.34 C ATOM 215 CD1 TYR A 16 6.920 -32.572 -6.796 1.00 4.34 C ATOM 216 CD2 TYR A 16 6.162 -34.769 -6.270 1.00 23.53 C ATOM 217 CE1 TYR A 16 7.072 -32.936 -8.120 1.00 4.34 C ATOM 218 CE2 TYR A 16 6.313 -35.143 -7.591 1.00 53.32 C ATOM 219 CZ TYR A 16 6.768 -34.222 -8.512 1.00 73.43 C ATOM 220 OH TYR A 16 6.917 -34.590 -9.830 1.00 5.21 O ATOM 0 H TYR A 16 8.947 -33.950 -4.897 1.00 34.11 H new ATOM 0 HA TYR A 16 7.407 -32.997 -2.562 1.00 65.54 H new ATOM 0 HB2 TYR A 16 5.355 -33.477 -4.027 1.00 3.41 H new ATOM 0 HB3 TYR A 16 6.230 -31.991 -4.341 1.00 3.41 H new ATOM 0 HD1 TYR A 16 7.160 -31.564 -6.492 1.00 4.34 H new ATOM 0 HD2 TYR A 16 5.803 -35.491 -5.552 1.00 23.53 H new ATOM 0 HE1 TYR A 16 7.427 -32.217 -8.844 1.00 4.34 H new ATOM 0 HE2 TYR A 16 6.076 -36.150 -7.901 1.00 53.32 H new ATOM 0 HH TYR A 16 6.661 -35.530 -9.938 1.00 5.21 H new ATOM 230 N ILE A 17 6.124 -35.375 -2.575 1.00 54.03 N ATOM 231 CA ILE A 17 5.830 -36.758 -2.219 1.00 53.54 C ATOM 232 C ILE A 17 4.618 -37.277 -2.986 1.00 11.22 C ATOM 233 O ILE A 17 3.530 -36.706 -2.908 1.00 41.30 O ATOM 234 CB ILE A 17 5.570 -36.907 -0.709 1.00 0.13 C ATOM 235 CG1 ILE A 17 5.060 -38.315 -0.393 1.00 43.34 C ATOM 236 CG2 ILE A 17 4.574 -35.859 -0.236 1.00 53.33 C ATOM 237 CD1 ILE A 17 4.914 -38.587 1.087 1.00 2.13 C ATOM 0 H ILE A 17 5.394 -34.709 -2.320 1.00 54.03 H new ATOM 0 HA ILE A 17 6.707 -37.347 -2.488 1.00 53.54 H new ATOM 0 HB ILE A 17 6.509 -36.753 -0.178 1.00 0.13 H new ATOM 0 HG12 ILE A 17 4.095 -38.460 -0.878 1.00 43.34 H new ATOM 0 HG13 ILE A 17 5.745 -39.046 -0.822 1.00 43.34 H new ATOM 0 HG21 ILE A 17 4.401 -35.978 0.834 1.00 53.33 H new ATOM 0 HG22 ILE A 17 4.973 -34.864 -0.430 1.00 53.33 H new ATOM 0 HG23 ILE A 17 3.633 -35.983 -0.772 1.00 53.33 H new ATOM 0 HD11 ILE A 17 4.549 -39.603 1.236 1.00 2.13 H new ATOM 0 HD12 ILE A 17 5.882 -38.474 1.575 1.00 2.13 H new ATOM 0 HD13 ILE A 17 4.206 -37.880 1.519 1.00 2.13 H new ATOM 249 N ARG A 18 4.813 -38.364 -3.725 1.00 24.14 N ATOM 250 CA ARG A 18 3.736 -38.961 -4.505 1.00 24.30 C ATOM 251 C ARG A 18 3.386 -40.349 -3.975 1.00 51.41 C ATOM 252 O ARG A 18 4.116 -41.314 -4.201 1.00 1.34 O ATOM 253 CB ARG A 18 4.136 -39.053 -5.979 1.00 11.51 C ATOM 254 CG ARG A 18 3.945 -37.753 -6.743 1.00 43.41 C ATOM 255 CD ARG A 18 3.730 -38.005 -8.227 1.00 65.32 C ATOM 256 NE ARG A 18 2.387 -38.503 -8.509 1.00 14.22 N ATOM 257 CZ ARG A 18 1.879 -38.596 -9.733 1.00 13.53 C ATOM 258 NH1 ARG A 18 2.599 -38.227 -10.783 1.00 4.22 N ATOM 259 NH2 ARG A 18 0.648 -39.058 -9.908 1.00 74.42 N ATOM 0 H ARG A 18 5.707 -38.849 -3.800 1.00 24.14 H new ATOM 0 HA ARG A 18 2.857 -38.323 -4.413 1.00 24.30 H new ATOM 0 HB2 ARG A 18 5.182 -39.353 -6.045 1.00 11.51 H new ATOM 0 HB3 ARG A 18 3.548 -39.836 -6.458 1.00 11.51 H new ATOM 0 HG2 ARG A 18 3.089 -37.213 -6.337 1.00 43.41 H new ATOM 0 HG3 ARG A 18 4.819 -37.116 -6.604 1.00 43.41 H new ATOM 0 HD2 ARG A 18 3.897 -37.080 -8.780 1.00 65.32 H new ATOM 0 HD3 ARG A 18 4.466 -38.726 -8.582 1.00 65.32 H new ATOM 0 HE ARG A 18 1.807 -38.796 -7.723 1.00 14.22 H new ATOM 0 HH11 ARG A 18 3.546 -37.871 -10.652 1.00 4.22 H new ATOM 0 HH12 ARG A 18 2.206 -38.300 -11.722 1.00 4.22 H new ATOM 0 HH21 ARG A 18 0.091 -39.342 -9.102 1.00 74.42 H new ATOM 0 HH22 ARG A 18 0.259 -39.129 -10.848 1.00 74.42 H new ATOM 273 N VAL A 19 2.263 -40.441 -3.269 1.00 4.52 N ATOM 274 CA VAL A 19 1.815 -41.709 -2.707 1.00 64.21 C ATOM 275 C VAL A 19 0.294 -41.767 -2.624 1.00 42.31 C ATOM 276 O VAL A 19 -0.374 -40.736 -2.539 1.00 11.25 O ATOM 277 CB VAL A 19 2.404 -41.940 -1.303 1.00 23.52 C ATOM 278 CG1 VAL A 19 3.863 -42.360 -1.398 1.00 3.10 C ATOM 279 CG2 VAL A 19 2.255 -40.689 -0.450 1.00 62.44 C ATOM 0 H VAL A 19 1.647 -39.652 -3.073 1.00 4.52 H new ATOM 0 HA VAL A 19 2.169 -42.494 -3.375 1.00 64.21 H new ATOM 0 HB VAL A 19 1.849 -42.747 -0.824 1.00 23.52 H new ATOM 0 HG11 VAL A 19 4.262 -42.519 -0.396 1.00 3.10 H new ATOM 0 HG12 VAL A 19 3.939 -43.285 -1.969 1.00 3.10 H new ATOM 0 HG13 VAL A 19 4.435 -41.578 -1.897 1.00 3.10 H new ATOM 0 HG21 VAL A 19 2.677 -40.870 0.539 1.00 62.44 H new ATOM 0 HG22 VAL A 19 2.783 -39.861 -0.923 1.00 62.44 H new ATOM 0 HG23 VAL A 19 1.199 -40.438 -0.354 1.00 62.44 H new ATOM 289 N THR A 20 -0.249 -42.980 -2.649 1.00 50.13 N ATOM 290 CA THR A 20 -1.692 -43.173 -2.578 1.00 2.04 C ATOM 291 C THR A 20 -2.069 -44.070 -1.404 1.00 62.02 C ATOM 292 O THR A 20 -1.324 -44.981 -1.044 1.00 11.22 O ATOM 293 CB THR A 20 -2.241 -43.789 -3.878 1.00 35.52 C ATOM 294 OG1 THR A 20 -3.514 -44.397 -3.632 1.00 34.32 O ATOM 295 CG2 THR A 20 -1.278 -44.826 -4.435 1.00 23.54 C ATOM 0 H THR A 20 0.289 -43.844 -2.718 1.00 50.13 H new ATOM 0 HA THR A 20 -2.136 -42.188 -2.436 1.00 2.04 H new ATOM 0 HB THR A 20 -2.355 -42.991 -4.612 1.00 35.52 H new ATOM 0 HG1 THR A 20 -3.496 -45.329 -3.935 1.00 34.32 H new ATOM 0 HG21 THR A 20 -1.688 -45.247 -5.353 1.00 23.54 H new ATOM 0 HG22 THR A 20 -0.319 -44.354 -4.649 1.00 23.54 H new ATOM 0 HG23 THR A 20 -1.136 -45.621 -3.703 1.00 23.54 H new ATOM 303 N GLU A 21 -3.230 -43.806 -0.813 1.00 21.52 N ATOM 304 CA GLU A 21 -3.705 -44.591 0.321 1.00 64.53 C ATOM 305 C GLU A 21 -4.202 -45.960 -0.136 1.00 13.04 C ATOM 306 O GLU A 21 -3.819 -46.989 0.421 1.00 64.02 O ATOM 307 CB GLU A 21 -4.824 -43.847 1.052 1.00 61.31 C ATOM 308 CG GLU A 21 -5.056 -44.339 2.470 1.00 34.54 C ATOM 309 CD GLU A 21 -6.464 -44.861 2.683 1.00 31.54 C ATOM 310 OE1 GLU A 21 -6.739 -46.009 2.275 1.00 25.50 O ATOM 311 OE2 GLU A 21 -7.291 -44.123 3.258 1.00 41.23 O ATOM 0 H GLU A 21 -3.858 -43.056 -1.100 1.00 21.52 H new ATOM 0 HA GLU A 21 -2.869 -44.737 1.005 1.00 64.53 H new ATOM 0 HB2 GLU A 21 -4.584 -42.784 1.080 1.00 61.31 H new ATOM 0 HB3 GLU A 21 -5.749 -43.951 0.485 1.00 61.31 H new ATOM 0 HG2 GLU A 21 -4.341 -45.130 2.698 1.00 34.54 H new ATOM 0 HG3 GLU A 21 -4.865 -43.525 3.169 1.00 34.54 H new ATOM 318 N ASP A 22 -5.059 -45.963 -1.151 1.00 1.11 N ATOM 319 CA ASP A 22 -5.610 -47.204 -1.683 1.00 45.12 C ATOM 320 C ASP A 22 -4.913 -47.594 -2.983 1.00 53.23 C ATOM 321 O ASP A 22 -4.588 -46.737 -3.805 1.00 34.31 O ATOM 322 CB ASP A 22 -7.114 -47.060 -1.919 1.00 42.40 C ATOM 323 CG ASP A 22 -7.929 -47.404 -0.688 1.00 25.02 C ATOM 324 OD1 ASP A 22 -8.223 -48.601 -0.486 1.00 62.13 O ATOM 325 OD2 ASP A 22 -8.271 -46.477 0.075 1.00 52.32 O ATOM 0 H ASP A 22 -5.387 -45.120 -1.622 1.00 1.11 H new ATOM 0 HA ASP A 22 -5.440 -47.992 -0.950 1.00 45.12 H new ATOM 0 HB2 ASP A 22 -7.335 -46.037 -2.223 1.00 42.40 H new ATOM 0 HB3 ASP A 22 -7.413 -47.709 -2.742 1.00 42.40 H new ATOM 330 N GLU A 23 -4.687 -48.892 -3.161 1.00 42.45 N ATOM 331 CA GLU A 23 -4.027 -49.394 -4.361 1.00 52.41 C ATOM 332 C GLU A 23 -4.854 -49.085 -5.606 1.00 60.21 C ATOM 333 O GLU A 23 -4.308 -48.829 -6.678 1.00 74.25 O ATOM 334 CB GLU A 23 -3.796 -50.902 -4.250 1.00 33.13 C ATOM 335 CG GLU A 23 -5.063 -51.693 -3.970 1.00 12.20 C ATOM 336 CD GLU A 23 -4.929 -52.602 -2.764 1.00 31.11 C ATOM 337 OE1 GLU A 23 -5.826 -52.570 -1.895 1.00 62.21 O ATOM 338 OE2 GLU A 23 -3.928 -53.345 -2.689 1.00 14.04 O ATOM 0 H GLU A 23 -4.951 -49.614 -2.491 1.00 42.45 H new ATOM 0 HA GLU A 23 -3.064 -48.892 -4.452 1.00 52.41 H new ATOM 0 HB2 GLU A 23 -3.351 -51.262 -5.177 1.00 33.13 H new ATOM 0 HB3 GLU A 23 -3.075 -51.093 -3.455 1.00 33.13 H new ATOM 0 HG2 GLU A 23 -5.890 -51.002 -3.809 1.00 12.20 H new ATOM 0 HG3 GLU A 23 -5.314 -52.292 -4.846 1.00 12.20 H new ATOM 345 N ASN A 24 -6.174 -49.113 -5.454 1.00 51.43 N ATOM 346 CA ASN A 24 -7.077 -48.837 -6.566 1.00 31.21 C ATOM 347 C ASN A 24 -7.067 -47.353 -6.921 1.00 24.44 C ATOM 348 O ASN A 24 -7.317 -46.977 -8.066 1.00 4.43 O ATOM 349 CB ASN A 24 -8.500 -49.279 -6.216 1.00 65.42 C ATOM 350 CG ASN A 24 -9.107 -50.169 -7.284 1.00 13.24 C ATOM 351 OD1 ASN A 24 -9.307 -49.744 -8.422 1.00 12.14 O ATOM 352 ND2 ASN A 24 -9.405 -51.411 -6.920 1.00 3.24 N ATOM 0 H ASN A 24 -6.642 -49.324 -4.573 1.00 51.43 H new ATOM 0 HA ASN A 24 -6.730 -49.401 -7.431 1.00 31.21 H new ATOM 0 HB2 ASN A 24 -8.489 -49.812 -5.265 1.00 65.42 H new ATOM 0 HB3 ASN A 24 -9.128 -48.399 -6.080 1.00 65.42 H new ATOM 0 HD21 ASN A 24 -9.817 -52.055 -7.595 1.00 3.24 H new ATOM 0 HD22 ASN A 24 -9.222 -51.721 -5.966 1.00 3.24 H new ATOM 359 N ASP A 25 -6.775 -46.516 -5.931 1.00 72.41 N ATOM 360 CA ASP A 25 -6.730 -45.074 -6.138 1.00 52.44 C ATOM 361 C ASP A 25 -5.421 -44.661 -6.804 1.00 52.14 C ATOM 362 O ASP A 25 -4.429 -45.387 -6.747 1.00 54.01 O ATOM 363 CB ASP A 25 -6.892 -44.340 -4.806 1.00 73.20 C ATOM 364 CG ASP A 25 -7.756 -43.100 -4.929 1.00 63.11 C ATOM 365 OD1 ASP A 25 -7.244 -41.992 -4.663 1.00 54.01 O ATOM 366 OD2 ASP A 25 -8.942 -43.238 -5.292 1.00 53.43 O ATOM 0 H ASP A 25 -6.566 -46.812 -4.978 1.00 72.41 H new ATOM 0 HA ASP A 25 -7.554 -44.801 -6.797 1.00 52.44 H new ATOM 0 HB2 ASP A 25 -7.334 -45.016 -4.074 1.00 73.20 H new ATOM 0 HB3 ASP A 25 -5.909 -44.058 -4.428 1.00 73.20 H new ATOM 371 N GLU A 26 -5.428 -43.491 -7.436 1.00 64.32 N ATOM 372 CA GLU A 26 -4.241 -42.984 -8.115 1.00 3.03 C ATOM 373 C GLU A 26 -3.287 -42.325 -7.122 1.00 65.54 C ATOM 374 O GLU A 26 -3.687 -41.847 -6.061 1.00 32.40 O ATOM 375 CB GLU A 26 -4.636 -41.981 -9.201 1.00 34.33 C ATOM 376 CG GLU A 26 -4.593 -42.558 -10.606 1.00 14.40 C ATOM 377 CD GLU A 26 -3.587 -41.853 -11.495 1.00 31.11 C ATOM 378 OE1 GLU A 26 -3.592 -40.604 -11.521 1.00 64.43 O ATOM 379 OE2 GLU A 26 -2.796 -42.550 -12.164 1.00 43.41 O ATOM 0 H GLU A 26 -6.241 -42.878 -7.492 1.00 64.32 H new ATOM 0 HA GLU A 26 -3.731 -43.828 -8.579 1.00 3.03 H new ATOM 0 HB2 GLU A 26 -5.643 -41.616 -8.998 1.00 34.33 H new ATOM 0 HB3 GLU A 26 -3.968 -41.121 -9.150 1.00 34.33 H new ATOM 0 HG2 GLU A 26 -4.345 -43.618 -10.552 1.00 14.40 H new ATOM 0 HG3 GLU A 26 -5.583 -42.485 -11.055 1.00 14.40 H new ATOM 386 N PRO A 27 -1.993 -42.300 -7.475 1.00 5.15 N ATOM 387 CA PRO A 27 -0.954 -41.703 -6.629 1.00 62.35 C ATOM 388 C PRO A 27 -1.066 -40.184 -6.559 1.00 22.22 C ATOM 389 O PRO A 27 -0.730 -39.483 -7.513 1.00 45.23 O ATOM 390 CB PRO A 27 0.347 -42.112 -7.325 1.00 2.21 C ATOM 391 CG PRO A 27 -0.035 -42.325 -8.749 1.00 32.22 C ATOM 392 CD PRO A 27 -1.444 -42.851 -8.725 1.00 2.00 C ATOM 0 HA PRO A 27 -1.025 -42.041 -5.595 1.00 62.35 H new ATOM 0 HB2 PRO A 27 1.107 -41.336 -7.231 1.00 2.21 H new ATOM 0 HB3 PRO A 27 0.762 -43.020 -6.887 1.00 2.21 H new ATOM 0 HG2 PRO A 27 0.025 -41.394 -9.313 1.00 32.22 H new ATOM 0 HG3 PRO A 27 0.638 -43.033 -9.232 1.00 32.22 H new ATOM 0 HD2 PRO A 27 -2.012 -42.519 -9.594 1.00 2.00 H new ATOM 0 HD3 PRO A 27 -1.466 -43.941 -8.728 1.00 2.00 H new ATOM 400 N ILE A 28 -1.539 -39.683 -5.423 1.00 54.31 N ATOM 401 CA ILE A 28 -1.694 -38.246 -5.229 1.00 24.45 C ATOM 402 C ILE A 28 -0.359 -37.592 -4.887 1.00 55.52 C ATOM 403 O ILE A 28 0.451 -38.158 -4.155 1.00 1.33 O ATOM 404 CB ILE A 28 -2.706 -37.935 -4.111 1.00 33.34 C ATOM 405 CG1 ILE A 28 -2.871 -36.423 -3.949 1.00 15.13 C ATOM 406 CG2 ILE A 28 -2.260 -38.568 -2.801 1.00 34.21 C ATOM 407 CD1 ILE A 28 -3.431 -35.741 -5.177 1.00 73.25 C ATOM 0 H ILE A 28 -1.821 -40.250 -4.623 1.00 54.31 H new ATOM 0 HA ILE A 28 -2.067 -37.838 -6.169 1.00 24.45 H new ATOM 0 HB ILE A 28 -3.671 -38.360 -4.387 1.00 33.34 H new ATOM 0 HG12 ILE A 28 -3.529 -36.226 -3.102 1.00 15.13 H new ATOM 0 HG13 ILE A 28 -1.903 -35.984 -3.709 1.00 15.13 H new ATOM 0 HG21 ILE A 28 -2.986 -38.339 -2.021 1.00 34.21 H new ATOM 0 HG22 ILE A 28 -2.189 -39.649 -2.925 1.00 34.21 H new ATOM 0 HG23 ILE A 28 -1.285 -38.170 -2.518 1.00 34.21 H new ATOM 0 HD11 ILE A 28 -3.521 -34.671 -4.990 1.00 73.25 H new ATOM 0 HD12 ILE A 28 -2.763 -35.907 -6.022 1.00 73.25 H new ATOM 0 HD13 ILE A 28 -4.414 -36.153 -5.406 1.00 73.25 H new ATOM 419 N GLU A 29 -0.140 -36.395 -5.422 1.00 41.52 N ATOM 420 CA GLU A 29 1.096 -35.662 -5.173 1.00 21.22 C ATOM 421 C GLU A 29 0.864 -34.523 -4.185 1.00 15.32 C ATOM 422 O GLU A 29 -0.093 -33.758 -4.317 1.00 45.03 O ATOM 423 CB GLU A 29 1.660 -35.109 -6.483 1.00 43.30 C ATOM 424 CG GLU A 29 0.821 -33.993 -7.084 1.00 24.22 C ATOM 425 CD GLU A 29 1.352 -32.615 -6.740 1.00 15.30 C ATOM 426 OE1 GLU A 29 1.002 -31.651 -7.453 1.00 11.42 O ATOM 427 OE2 GLU A 29 2.116 -32.500 -5.759 1.00 54.11 O ATOM 0 H GLU A 29 -0.802 -35.913 -6.030 1.00 41.52 H new ATOM 0 HA GLU A 29 1.817 -36.354 -4.739 1.00 21.22 H new ATOM 0 HB2 GLU A 29 2.670 -34.738 -6.306 1.00 43.30 H new ATOM 0 HB3 GLU A 29 1.741 -35.921 -7.206 1.00 43.30 H new ATOM 0 HG2 GLU A 29 0.793 -34.108 -8.168 1.00 24.22 H new ATOM 0 HG3 GLU A 29 -0.205 -34.082 -6.727 1.00 24.22 H new ATOM 434 N ILE A 30 1.744 -34.417 -3.195 1.00 53.32 N ATOM 435 CA ILE A 30 1.635 -33.371 -2.185 1.00 71.24 C ATOM 436 C ILE A 30 2.942 -32.597 -2.053 1.00 20.15 C ATOM 437 O ILE A 30 4.034 -33.141 -2.220 1.00 0.33 O ATOM 438 CB ILE A 30 1.254 -33.953 -0.811 1.00 60.13 C ATOM 439 CG1 ILE A 30 1.274 -35.482 -0.857 1.00 70.34 C ATOM 440 CG2 ILE A 30 -0.116 -33.448 -0.384 1.00 31.53 C ATOM 441 CD1 ILE A 30 1.113 -36.130 0.500 1.00 1.11 C ATOM 0 H ILE A 30 2.540 -35.042 -3.071 1.00 53.32 H new ATOM 0 HA ILE A 30 0.847 -32.694 -2.514 1.00 71.24 H new ATOM 0 HB ILE A 30 1.987 -33.621 -0.076 1.00 60.13 H new ATOM 0 HG12 ILE A 30 0.475 -35.828 -1.513 1.00 70.34 H new ATOM 0 HG13 ILE A 30 2.214 -35.812 -1.299 1.00 70.34 H new ATOM 0 HG21 ILE A 30 -0.372 -33.868 0.589 1.00 31.53 H new ATOM 0 HG22 ILE A 30 -0.098 -32.360 -0.316 1.00 31.53 H new ATOM 0 HG23 ILE A 30 -0.861 -33.754 -1.118 1.00 31.53 H new ATOM 0 HD11 ILE A 30 1.137 -37.214 0.391 1.00 1.11 H new ATOM 0 HD12 ILE A 30 1.926 -35.813 1.153 1.00 1.11 H new ATOM 0 HD13 ILE A 30 0.160 -35.830 0.936 1.00 1.11 H new ATOM 453 N PRO A 31 2.831 -31.297 -1.743 1.00 12.13 N ATOM 454 CA PRO A 31 3.994 -30.420 -1.578 1.00 31.02 C ATOM 455 C PRO A 31 4.796 -30.751 -0.324 1.00 1.11 C ATOM 456 O PRO A 31 4.287 -30.657 0.793 1.00 71.21 O ATOM 457 CB PRO A 31 3.373 -29.025 -1.463 1.00 64.42 C ATOM 458 CG PRO A 31 1.996 -29.265 -0.950 1.00 14.14 C ATOM 459 CD PRO A 31 1.561 -30.583 -1.529 1.00 51.40 C ATOM 0 HA PRO A 31 4.700 -30.520 -2.402 1.00 31.02 H new ATOM 0 HB2 PRO A 31 3.944 -28.392 -0.784 1.00 64.42 H new ATOM 0 HB3 PRO A 31 3.353 -28.520 -2.429 1.00 64.42 H new ATOM 0 HG2 PRO A 31 1.985 -29.295 0.140 1.00 14.14 H new ATOM 0 HG3 PRO A 31 1.322 -28.464 -1.253 1.00 14.14 H new ATOM 0 HD2 PRO A 31 0.905 -31.125 -0.847 1.00 51.40 H new ATOM 0 HD3 PRO A 31 1.012 -30.451 -2.461 1.00 51.40 H new ATOM 467 N SER A 32 6.053 -31.138 -0.516 1.00 1.30 N ATOM 468 CA SER A 32 6.925 -31.486 0.600 1.00 51.30 C ATOM 469 C SER A 32 7.820 -30.309 0.977 1.00 23.42 C ATOM 470 O SER A 32 7.698 -29.219 0.419 1.00 21.54 O ATOM 471 CB SER A 32 7.783 -32.701 0.244 1.00 22.24 C ATOM 472 OG SER A 32 9.018 -32.304 -0.327 1.00 32.22 O ATOM 0 H SER A 32 6.490 -31.218 -1.434 1.00 1.30 H new ATOM 0 HA SER A 32 6.298 -31.732 1.457 1.00 51.30 H new ATOM 0 HB2 SER A 32 7.967 -33.295 1.139 1.00 22.24 H new ATOM 0 HB3 SER A 32 7.243 -33.339 -0.456 1.00 22.24 H new ATOM 0 HG SER A 32 8.850 -31.712 -1.090 1.00 32.22 H new ATOM 478 N GLU A 33 8.720 -30.540 1.928 1.00 1.12 N ATOM 479 CA GLU A 33 9.636 -29.499 2.381 1.00 73.21 C ATOM 480 C GLU A 33 10.910 -29.493 1.541 1.00 12.51 C ATOM 481 O GLU A 33 11.090 -30.334 0.661 1.00 24.30 O ATOM 482 CB GLU A 33 9.986 -29.703 3.856 1.00 35.25 C ATOM 483 CG GLU A 33 8.908 -29.215 4.810 1.00 22.24 C ATOM 484 CD GLU A 33 9.204 -29.570 6.255 1.00 73.02 C ATOM 485 OE1 GLU A 33 9.541 -28.653 7.033 1.00 33.22 O ATOM 486 OE2 GLU A 33 9.098 -30.763 6.607 1.00 65.43 O ATOM 0 H GLU A 33 8.834 -31.437 2.399 1.00 1.12 H new ATOM 0 HA GLU A 33 9.138 -28.536 2.263 1.00 73.21 H new ATOM 0 HB2 GLU A 33 10.165 -30.763 4.035 1.00 35.25 H new ATOM 0 HB3 GLU A 33 10.917 -29.181 4.075 1.00 35.25 H new ATOM 0 HG2 GLU A 33 8.809 -28.133 4.718 1.00 22.24 H new ATOM 0 HG3 GLU A 33 7.950 -29.648 4.522 1.00 22.24 H new ATOM 493 N ASP A 34 11.789 -28.537 1.819 1.00 5.22 N ATOM 494 CA ASP A 34 13.047 -28.420 1.091 1.00 43.44 C ATOM 495 C ASP A 34 14.030 -29.503 1.525 1.00 52.21 C ATOM 496 O ASP A 34 14.787 -30.031 0.710 1.00 11.23 O ATOM 497 CB ASP A 34 13.663 -27.037 1.312 1.00 73.02 C ATOM 498 CG ASP A 34 13.923 -26.747 2.777 1.00 64.11 C ATOM 499 OD1 ASP A 34 12.943 -26.563 3.529 1.00 5.41 O ATOM 500 OD2 ASP A 34 15.107 -26.705 3.171 1.00 23.44 O ATOM 0 H ASP A 34 11.654 -27.832 2.543 1.00 5.22 H new ATOM 0 HA ASP A 34 12.836 -28.550 0.029 1.00 43.44 H new ATOM 0 HB2 ASP A 34 14.600 -26.967 0.759 1.00 73.02 H new ATOM 0 HB3 ASP A 34 12.996 -26.276 0.907 1.00 73.02 H new ATOM 505 N ASP A 35 14.013 -29.828 2.813 1.00 55.12 N ATOM 506 CA ASP A 35 14.902 -30.848 3.356 1.00 71.12 C ATOM 507 C ASP A 35 14.596 -32.214 2.749 1.00 22.14 C ATOM 508 O ASP A 35 15.434 -33.115 2.770 1.00 74.12 O ATOM 509 CB ASP A 35 14.771 -30.911 4.878 1.00 32.44 C ATOM 510 CG ASP A 35 16.116 -30.880 5.577 1.00 12.21 C ATOM 511 OD1 ASP A 35 17.101 -31.376 4.991 1.00 30.22 O ATOM 512 OD2 ASP A 35 16.184 -30.358 6.709 1.00 14.04 O ATOM 0 H ASP A 35 13.393 -29.400 3.501 1.00 55.12 H new ATOM 0 HA ASP A 35 15.926 -30.577 3.099 1.00 71.12 H new ATOM 0 HB2 ASP A 35 14.166 -30.072 5.223 1.00 32.44 H new ATOM 0 HB3 ASP A 35 14.241 -31.822 5.157 1.00 32.44 H new ATOM 517 N GLY A 36 13.389 -32.360 2.211 1.00 64.44 N ATOM 518 CA GLY A 36 12.994 -33.620 1.607 1.00 0.42 C ATOM 519 C GLY A 36 11.820 -34.261 2.320 1.00 23.04 C ATOM 520 O GLY A 36 11.019 -34.965 1.705 1.00 14.10 O ATOM 0 H GLY A 36 12.678 -31.629 2.182 1.00 64.44 H new ATOM 0 HA2 GLY A 36 12.733 -33.453 0.562 1.00 0.42 H new ATOM 0 HA3 GLY A 36 13.841 -34.306 1.618 1.00 0.42 H new ATOM 524 N THR A 37 11.718 -34.020 3.624 1.00 50.22 N ATOM 525 CA THR A 37 10.636 -34.581 4.422 1.00 32.13 C ATOM 526 C THR A 37 9.298 -33.947 4.059 1.00 41.03 C ATOM 527 O THR A 37 9.197 -33.203 3.083 1.00 2.54 O ATOM 528 CB THR A 37 10.890 -34.387 5.929 1.00 3.01 C ATOM 529 OG1 THR A 37 10.789 -32.999 6.268 1.00 20.52 O ATOM 530 CG2 THR A 37 12.265 -34.910 6.317 1.00 31.25 C ATOM 0 H THR A 37 12.372 -33.440 4.149 1.00 50.22 H new ATOM 0 HA THR A 37 10.602 -35.648 4.201 1.00 32.13 H new ATOM 0 HB THR A 37 10.136 -34.951 6.478 1.00 3.01 H new ATOM 0 HG1 THR A 37 9.851 -32.720 6.227 1.00 20.52 H new ATOM 0 HG21 THR A 37 12.422 -34.762 7.385 1.00 31.25 H new ATOM 0 HG22 THR A 37 12.329 -35.973 6.084 1.00 31.25 H new ATOM 0 HG23 THR A 37 13.030 -34.370 5.760 1.00 31.25 H new ATOM 538 N VAL A 38 8.272 -34.246 4.849 1.00 2.14 N ATOM 539 CA VAL A 38 6.940 -33.703 4.611 1.00 21.25 C ATOM 540 C VAL A 38 6.267 -33.305 5.920 1.00 30.22 C ATOM 541 O VAL A 38 6.243 -34.078 6.879 1.00 73.21 O ATOM 542 CB VAL A 38 6.045 -34.716 3.874 1.00 73.51 C ATOM 543 CG1 VAL A 38 4.610 -34.215 3.811 1.00 20.13 C ATOM 544 CG2 VAL A 38 6.585 -34.987 2.478 1.00 40.12 C ATOM 0 H VAL A 38 8.338 -34.862 5.660 1.00 2.14 H new ATOM 0 HA VAL A 38 7.065 -32.818 3.987 1.00 21.25 H new ATOM 0 HB VAL A 38 6.053 -35.653 4.430 1.00 73.51 H new ATOM 0 HG11 VAL A 38 3.993 -34.944 3.287 1.00 20.13 H new ATOM 0 HG12 VAL A 38 4.228 -34.077 4.823 1.00 20.13 H new ATOM 0 HG13 VAL A 38 4.580 -33.264 3.279 1.00 20.13 H new ATOM 0 HG21 VAL A 38 5.940 -35.705 1.972 1.00 40.12 H new ATOM 0 HG22 VAL A 38 6.609 -34.057 1.910 1.00 40.12 H new ATOM 0 HG23 VAL A 38 7.594 -35.393 2.551 1.00 40.12 H new ATOM 554 N LEU A 39 5.721 -32.095 5.954 1.00 53.23 N ATOM 555 CA LEU A 39 5.045 -31.593 7.146 1.00 45.15 C ATOM 556 C LEU A 39 3.794 -32.411 7.448 1.00 63.31 C ATOM 557 O LEU A 39 3.013 -32.727 6.549 1.00 3.51 O ATOM 558 CB LEU A 39 4.674 -30.120 6.963 1.00 32.30 C ATOM 559 CG LEU A 39 4.760 -29.246 8.215 1.00 75.32 C ATOM 560 CD1 LEU A 39 6.208 -29.065 8.641 1.00 41.00 C ATOM 561 CD2 LEU A 39 4.101 -27.897 7.969 1.00 40.41 C ATOM 0 H LEU A 39 5.733 -31.443 5.170 1.00 53.23 H new ATOM 0 HA LEU A 39 5.730 -31.687 7.989 1.00 45.15 H new ATOM 0 HB2 LEU A 39 5.326 -29.694 6.201 1.00 32.30 H new ATOM 0 HB3 LEU A 39 3.656 -30.068 6.577 1.00 32.30 H new ATOM 0 HG LEU A 39 4.226 -29.747 9.022 1.00 75.32 H new ATOM 0 HD11 LEU A 39 6.249 -28.440 9.533 1.00 41.00 H new ATOM 0 HD12 LEU A 39 6.648 -30.038 8.859 1.00 41.00 H new ATOM 0 HD13 LEU A 39 6.767 -28.586 7.837 1.00 41.00 H new ATOM 0 HD21 LEU A 39 4.171 -27.288 8.870 1.00 40.41 H new ATOM 0 HD22 LEU A 39 4.607 -27.389 7.148 1.00 40.41 H new ATOM 0 HD23 LEU A 39 3.052 -28.046 7.713 1.00 40.41 H new ATOM 573 N LEU A 40 3.609 -32.751 8.719 1.00 53.43 N ATOM 574 CA LEU A 40 2.451 -33.531 9.141 1.00 15.30 C ATOM 575 C LEU A 40 1.160 -32.926 8.598 1.00 74.41 C ATOM 576 O LEU A 40 0.239 -33.647 8.212 1.00 64.20 O ATOM 577 CB LEU A 40 2.390 -33.604 10.668 1.00 73.43 C ATOM 578 CG LEU A 40 1.755 -34.866 11.254 1.00 13.20 C ATOM 579 CD1 LEU A 40 1.815 -34.837 12.773 1.00 22.23 C ATOM 580 CD2 LEU A 40 0.316 -35.009 10.778 1.00 23.33 C ATOM 0 H LEU A 40 4.246 -32.499 9.475 1.00 53.43 H new ATOM 0 HA LEU A 40 2.556 -34.539 8.739 1.00 15.30 H new ATOM 0 HB2 LEU A 40 3.405 -33.518 11.057 1.00 73.43 H new ATOM 0 HB3 LEU A 40 1.835 -32.739 11.031 1.00 73.43 H new ATOM 0 HG LEU A 40 2.320 -35.730 10.905 1.00 13.20 H new ATOM 0 HD11 LEU A 40 1.359 -35.743 13.173 1.00 22.23 H new ATOM 0 HD12 LEU A 40 2.855 -34.782 13.095 1.00 22.23 H new ATOM 0 HD13 LEU A 40 1.275 -33.965 13.142 1.00 22.23 H new ATOM 0 HD21 LEU A 40 -0.120 -35.912 11.205 1.00 23.33 H new ATOM 0 HD22 LEU A 40 -0.261 -34.141 11.098 1.00 23.33 H new ATOM 0 HD23 LEU A 40 0.298 -35.076 9.690 1.00 23.33 H new ATOM 592 N SER A 41 1.100 -31.599 8.569 1.00 50.10 N ATOM 593 CA SER A 41 -0.079 -30.897 8.074 1.00 23.23 C ATOM 594 C SER A 41 -0.420 -31.341 6.655 1.00 24.41 C ATOM 595 O SER A 41 -1.591 -31.441 6.287 1.00 65.51 O ATOM 596 CB SER A 41 0.151 -29.385 8.106 1.00 21.03 C ATOM 597 OG SER A 41 -1.059 -28.690 8.355 1.00 23.55 O ATOM 0 H SER A 41 1.854 -30.988 8.882 1.00 50.10 H new ATOM 0 HA SER A 41 -0.918 -31.144 8.725 1.00 23.23 H new ATOM 0 HB2 SER A 41 0.880 -29.141 8.879 1.00 21.03 H new ATOM 0 HB3 SER A 41 0.573 -29.058 7.156 1.00 21.03 H new ATOM 0 HG SER A 41 -0.885 -27.726 8.372 1.00 23.55 H new ATOM 603 N THR A 42 0.613 -31.607 5.861 1.00 72.12 N ATOM 604 CA THR A 42 0.425 -32.039 4.482 1.00 72.43 C ATOM 605 C THR A 42 -0.127 -33.459 4.421 1.00 64.21 C ATOM 606 O THR A 42 -0.925 -33.789 3.544 1.00 15.21 O ATOM 607 CB THR A 42 1.744 -31.979 3.689 1.00 1.21 C ATOM 608 OG1 THR A 42 2.276 -30.650 3.725 1.00 44.05 O ATOM 609 CG2 THR A 42 1.528 -32.406 2.245 1.00 10.41 C ATOM 0 H THR A 42 1.588 -31.531 6.150 1.00 72.12 H new ATOM 0 HA THR A 42 -0.292 -31.353 4.031 1.00 72.43 H new ATOM 0 HB THR A 42 2.452 -32.666 4.151 1.00 1.21 H new ATOM 0 HG1 THR A 42 3.115 -30.620 3.220 1.00 44.05 H new ATOM 0 HG21 THR A 42 2.474 -32.355 1.705 1.00 10.41 H new ATOM 0 HG22 THR A 42 1.150 -33.428 2.220 1.00 10.41 H new ATOM 0 HG23 THR A 42 0.805 -31.741 1.773 1.00 10.41 H new ATOM 617 N VAL A 43 0.304 -34.297 5.359 1.00 61.13 N ATOM 618 CA VAL A 43 -0.148 -35.682 5.413 1.00 72.13 C ATOM 619 C VAL A 43 -1.627 -35.763 5.773 1.00 74.52 C ATOM 620 O VAL A 43 -2.355 -36.621 5.270 1.00 43.42 O ATOM 621 CB VAL A 43 0.664 -36.498 6.436 1.00 34.21 C ATOM 622 CG1 VAL A 43 -0.115 -37.728 6.877 1.00 33.01 C ATOM 623 CG2 VAL A 43 2.012 -36.892 5.853 1.00 4.02 C ATOM 0 H VAL A 43 0.966 -34.041 6.092 1.00 61.13 H new ATOM 0 HA VAL A 43 0.005 -36.104 4.420 1.00 72.13 H new ATOM 0 HB VAL A 43 0.841 -35.876 7.313 1.00 34.21 H new ATOM 0 HG11 VAL A 43 0.474 -38.292 7.600 1.00 33.01 H new ATOM 0 HG12 VAL A 43 -1.054 -37.419 7.337 1.00 33.01 H new ATOM 0 HG13 VAL A 43 -0.325 -38.356 6.011 1.00 33.01 H new ATOM 0 HG21 VAL A 43 2.573 -37.468 6.589 1.00 4.02 H new ATOM 0 HG22 VAL A 43 1.859 -37.497 4.959 1.00 4.02 H new ATOM 0 HG23 VAL A 43 2.572 -35.994 5.592 1.00 4.02 H new ATOM 633 N THR A 44 -2.068 -34.865 6.648 1.00 53.33 N ATOM 634 CA THR A 44 -3.461 -34.835 7.076 1.00 1.53 C ATOM 635 C THR A 44 -4.357 -34.243 5.994 1.00 63.21 C ATOM 636 O THR A 44 -5.530 -34.598 5.884 1.00 62.14 O ATOM 637 CB THR A 44 -3.632 -34.018 8.371 1.00 35.23 C ATOM 638 OG1 THR A 44 -3.377 -32.633 8.114 1.00 13.25 O ATOM 639 CG2 THR A 44 -2.691 -34.520 9.456 1.00 53.10 C ATOM 0 H THR A 44 -1.480 -34.149 7.074 1.00 53.33 H new ATOM 0 HA THR A 44 -3.756 -35.867 7.263 1.00 1.53 H new ATOM 0 HB THR A 44 -4.658 -34.139 8.718 1.00 35.23 H new ATOM 0 HG1 THR A 44 -2.706 -32.550 7.405 1.00 13.25 H new ATOM 0 HG21 THR A 44 -2.830 -33.928 10.361 1.00 53.10 H new ATOM 0 HG22 THR A 44 -2.908 -35.566 9.670 1.00 53.10 H new ATOM 0 HG23 THR A 44 -1.660 -34.426 9.116 1.00 53.10 H new ATOM 647 N ALA A 45 -3.796 -33.340 5.196 1.00 22.13 N ATOM 648 CA ALA A 45 -4.544 -32.702 4.120 1.00 2.23 C ATOM 649 C ALA A 45 -5.279 -33.736 3.274 1.00 13.35 C ATOM 650 O ALA A 45 -6.468 -33.587 2.993 1.00 70.42 O ATOM 651 CB ALA A 45 -3.612 -31.872 3.250 1.00 1.51 C ATOM 0 H ALA A 45 -2.826 -33.034 5.275 1.00 22.13 H new ATOM 0 HA ALA A 45 -5.288 -32.043 4.569 1.00 2.23 H new ATOM 0 HB1 ALA A 45 -4.184 -31.401 2.450 1.00 1.51 H new ATOM 0 HB2 ALA A 45 -3.136 -31.102 3.858 1.00 1.51 H new ATOM 0 HB3 ALA A 45 -2.847 -32.517 2.818 1.00 1.51 H new ATOM 657 N GLN A 46 -4.564 -34.781 2.872 1.00 32.44 N ATOM 658 CA GLN A 46 -5.150 -35.839 2.057 1.00 12.12 C ATOM 659 C GLN A 46 -5.426 -37.083 2.895 1.00 12.35 C ATOM 660 O GLN A 46 -6.397 -37.802 2.657 1.00 1.32 O ATOM 661 CB GLN A 46 -4.221 -36.189 0.894 1.00 63.30 C ATOM 662 CG GLN A 46 -3.409 -35.008 0.387 1.00 60.32 C ATOM 663 CD GLN A 46 -2.506 -35.376 -0.774 1.00 20.30 C ATOM 664 OE1 GLN A 46 -2.445 -34.666 -1.778 1.00 12.42 O ATOM 665 NE2 GLN A 46 -1.798 -36.492 -0.643 1.00 2.10 N ATOM 0 H GLN A 46 -3.579 -34.918 3.097 1.00 32.44 H new ATOM 0 HA GLN A 46 -6.097 -35.474 1.659 1.00 12.12 H new ATOM 0 HB2 GLN A 46 -3.540 -36.979 1.209 1.00 63.30 H new ATOM 0 HB3 GLN A 46 -4.815 -36.590 0.073 1.00 63.30 H new ATOM 0 HG2 GLN A 46 -4.087 -34.212 0.077 1.00 60.32 H new ATOM 0 HG3 GLN A 46 -2.803 -34.612 1.202 1.00 60.32 H new ATOM 0 HE21 GLN A 46 -1.879 -37.051 0.207 1.00 2.10 H new ATOM 0 HE22 GLN A 46 -1.173 -36.790 -1.392 1.00 2.10 H new ATOM 674 N PHE A 47 -4.566 -37.331 3.878 1.00 73.13 N ATOM 675 CA PHE A 47 -4.717 -38.489 4.751 1.00 63.31 C ATOM 676 C PHE A 47 -4.959 -38.055 6.193 1.00 22.05 C ATOM 677 O PHE A 47 -4.070 -38.112 7.043 1.00 23.22 O ATOM 678 CB PHE A 47 -3.472 -39.377 4.675 1.00 14.45 C ATOM 679 CG PHE A 47 -2.832 -39.396 3.317 1.00 22.51 C ATOM 680 CD1 PHE A 47 -1.473 -39.165 3.174 1.00 54.43 C ATOM 681 CD2 PHE A 47 -3.588 -39.646 2.183 1.00 33.55 C ATOM 682 CE1 PHE A 47 -0.881 -39.183 1.925 1.00 4.42 C ATOM 683 CE2 PHE A 47 -3.001 -39.666 0.933 1.00 70.15 C ATOM 684 CZ PHE A 47 -1.646 -39.433 0.803 1.00 2.31 C ATOM 0 H PHE A 47 -3.758 -36.746 4.090 1.00 73.13 H new ATOM 0 HA PHE A 47 -5.582 -39.058 4.412 1.00 63.31 H new ATOM 0 HB2 PHE A 47 -2.743 -39.030 5.407 1.00 14.45 H new ATOM 0 HB3 PHE A 47 -3.744 -40.395 4.954 1.00 14.45 H new ATOM 0 HD1 PHE A 47 -0.870 -38.969 4.048 1.00 54.43 H new ATOM 0 HD2 PHE A 47 -4.648 -39.827 2.278 1.00 33.55 H new ATOM 0 HE1 PHE A 47 0.179 -39.002 1.827 1.00 4.42 H new ATOM 0 HE2 PHE A 47 -3.601 -39.864 0.057 1.00 70.15 H new ATOM 0 HZ PHE A 47 -1.186 -39.446 -0.174 1.00 2.31 H new ATOM 694 N PRO A 48 -6.192 -37.609 6.478 1.00 64.43 N ATOM 695 CA PRO A 48 -6.580 -37.156 7.817 1.00 75.45 C ATOM 696 C PRO A 48 -6.659 -38.304 8.817 1.00 63.40 C ATOM 697 O PRO A 48 -7.298 -39.324 8.559 1.00 44.55 O ATOM 698 CB PRO A 48 -7.966 -36.544 7.595 1.00 30.44 C ATOM 699 CG PRO A 48 -8.495 -37.232 6.384 1.00 44.52 C ATOM 700 CD PRO A 48 -7.301 -37.514 5.514 1.00 1.10 C ATOM 0 HA PRO A 48 -5.854 -36.461 8.239 1.00 75.45 H new ATOM 0 HB2 PRO A 48 -8.613 -36.707 8.457 1.00 30.44 H new ATOM 0 HB3 PRO A 48 -7.903 -35.467 7.442 1.00 30.44 H new ATOM 0 HG2 PRO A 48 -9.009 -38.155 6.653 1.00 44.52 H new ATOM 0 HG3 PRO A 48 -9.218 -36.604 5.863 1.00 44.52 H new ATOM 0 HD2 PRO A 48 -7.424 -38.439 4.950 1.00 1.10 H new ATOM 0 HD3 PRO A 48 -7.136 -36.718 4.788 1.00 1.10 H new ATOM 708 N GLY A 49 -6.004 -38.132 9.962 1.00 53.14 N ATOM 709 CA GLY A 49 -6.013 -39.162 10.984 1.00 51.03 C ATOM 710 C GLY A 49 -4.848 -40.122 10.849 1.00 3.15 C ATOM 711 O GLY A 49 -4.404 -40.711 11.834 1.00 23.23 O ATOM 0 H GLY A 49 -5.468 -37.298 10.199 1.00 53.14 H new ATOM 0 HA2 GLY A 49 -5.982 -38.694 11.968 1.00 51.03 H new ATOM 0 HA3 GLY A 49 -6.948 -39.719 10.926 1.00 51.03 H new ATOM 715 N ALA A 50 -4.352 -40.281 9.627 1.00 60.03 N ATOM 716 CA ALA A 50 -3.231 -41.176 9.367 1.00 31.03 C ATOM 717 C ALA A 50 -2.056 -40.866 10.289 1.00 53.24 C ATOM 718 O ALA A 50 -1.356 -39.869 10.104 1.00 74.44 O ATOM 719 CB ALA A 50 -2.803 -41.077 7.911 1.00 44.23 C ATOM 0 H ALA A 50 -4.709 -39.801 8.801 1.00 60.03 H new ATOM 0 HA ALA A 50 -3.558 -42.196 9.569 1.00 31.03 H new ATOM 0 HB1 ALA A 50 -1.965 -41.751 7.731 1.00 44.23 H new ATOM 0 HB2 ALA A 50 -3.637 -41.355 7.267 1.00 44.23 H new ATOM 0 HB3 ALA A 50 -2.500 -40.054 7.690 1.00 44.23 H new ATOM 725 N CYS A 51 -1.846 -41.724 11.281 1.00 51.24 N ATOM 726 CA CYS A 51 -0.756 -41.540 12.232 1.00 30.13 C ATOM 727 C CYS A 51 0.587 -41.874 11.592 1.00 42.24 C ATOM 728 O CYS A 51 1.610 -41.276 11.923 1.00 23.30 O ATOM 729 CB CYS A 51 -0.977 -42.414 13.467 1.00 21.45 C ATOM 730 SG CYS A 51 -1.637 -41.522 14.895 1.00 70.30 S ATOM 0 H CYS A 51 -2.416 -42.553 11.448 1.00 51.24 H new ATOM 0 HA CYS A 51 -0.743 -40.493 12.534 1.00 30.13 H new ATOM 0 HB2 CYS A 51 -1.661 -43.222 13.209 1.00 21.45 H new ATOM 0 HB3 CYS A 51 -0.030 -42.875 13.746 1.00 21.45 H new ATOM 0 HG CYS A 51 -1.791 -42.346 15.888 1.00 70.30 H new ATOM 736 N GLY A 52 0.576 -42.834 10.672 1.00 23.53 N ATOM 737 CA GLY A 52 1.800 -43.233 10.001 1.00 53.31 C ATOM 738 C GLY A 52 1.543 -43.819 8.627 1.00 53.32 C ATOM 739 O GLY A 52 0.477 -44.381 8.373 1.00 74.11 O ATOM 0 H GLY A 52 -0.258 -43.342 10.379 1.00 23.53 H new ATOM 0 HA2 GLY A 52 2.457 -42.369 9.907 1.00 53.31 H new ATOM 0 HA3 GLY A 52 2.324 -43.967 10.613 1.00 53.31 H new ATOM 743 N LEU A 53 2.520 -43.686 7.737 1.00 71.32 N ATOM 744 CA LEU A 53 2.394 -44.206 6.379 1.00 2.15 C ATOM 745 C LEU A 53 3.400 -45.325 6.130 1.00 73.44 C ATOM 746 O LEU A 53 4.535 -45.271 6.603 1.00 13.23 O ATOM 747 CB LEU A 53 2.600 -43.083 5.361 1.00 25.03 C ATOM 748 CG LEU A 53 1.859 -41.776 5.644 1.00 2.13 C ATOM 749 CD1 LEU A 53 0.479 -42.058 6.216 1.00 35.20 C ATOM 750 CD2 LEU A 53 2.664 -40.902 6.595 1.00 13.41 C ATOM 0 H LEU A 53 3.408 -43.223 7.931 1.00 71.32 H new ATOM 0 HA LEU A 53 1.389 -44.613 6.263 1.00 2.15 H new ATOM 0 HB2 LEU A 53 3.667 -42.867 5.300 1.00 25.03 H new ATOM 0 HB3 LEU A 53 2.292 -43.447 4.381 1.00 25.03 H new ATOM 0 HG LEU A 53 1.737 -41.239 4.703 1.00 2.13 H new ATOM 0 HD11 LEU A 53 -0.033 -41.116 6.411 1.00 35.20 H new ATOM 0 HD12 LEU A 53 -0.098 -42.644 5.501 1.00 35.20 H new ATOM 0 HD13 LEU A 53 0.578 -42.617 7.147 1.00 35.20 H new ATOM 0 HD21 LEU A 53 2.122 -39.976 6.785 1.00 13.41 H new ATOM 0 HD22 LEU A 53 2.817 -41.432 7.535 1.00 13.41 H new ATOM 0 HD23 LEU A 53 3.630 -40.671 6.147 1.00 13.41 H new ATOM 762 N ARG A 54 2.976 -46.338 5.381 1.00 34.41 N ATOM 763 CA ARG A 54 3.839 -47.470 5.067 1.00 22.33 C ATOM 764 C ARG A 54 4.308 -47.411 3.616 1.00 12.24 C ATOM 765 O ARG A 54 3.765 -46.657 2.808 1.00 11.25 O ATOM 766 CB ARG A 54 3.103 -48.787 5.323 1.00 4.12 C ATOM 767 CG ARG A 54 3.954 -49.834 6.023 1.00 62.11 C ATOM 768 CD ARG A 54 3.620 -51.237 5.539 1.00 5.34 C ATOM 769 NE ARG A 54 2.751 -51.945 6.474 1.00 34.42 N ATOM 770 CZ ARG A 54 2.409 -53.222 6.337 1.00 52.33 C ATOM 771 NH1 ARG A 54 2.862 -53.926 5.308 1.00 14.44 N ATOM 772 NH2 ARG A 54 1.613 -53.797 7.229 1.00 11.54 N ATOM 0 H ARG A 54 2.040 -46.398 4.980 1.00 34.41 H new ATOM 0 HA ARG A 54 4.713 -47.418 5.716 1.00 22.33 H new ATOM 0 HB2 ARG A 54 2.218 -48.587 5.927 1.00 4.12 H new ATOM 0 HB3 ARG A 54 2.756 -49.190 4.372 1.00 4.12 H new ATOM 0 HG2 ARG A 54 5.009 -49.627 5.843 1.00 62.11 H new ATOM 0 HG3 ARG A 54 3.797 -49.772 7.100 1.00 62.11 H new ATOM 0 HD2 ARG A 54 3.134 -51.179 4.565 1.00 5.34 H new ATOM 0 HD3 ARG A 54 4.542 -51.802 5.402 1.00 5.34 H new ATOM 0 HE ARG A 54 2.386 -51.432 7.276 1.00 34.42 H new ATOM 0 HH11 ARG A 54 3.474 -53.487 4.620 1.00 14.44 H new ATOM 0 HH12 ARG A 54 2.598 -54.906 5.205 1.00 14.44 H new ATOM 0 HH21 ARG A 54 1.262 -53.259 8.021 1.00 11.54 H new ATOM 0 HH22 ARG A 54 1.352 -54.777 7.122 1.00 11.54 H new ATOM 786 N TYR A 55 5.319 -48.210 3.294 1.00 53.34 N ATOM 787 CA TYR A 55 5.863 -48.246 1.941 1.00 15.12 C ATOM 788 C TYR A 55 5.388 -49.490 1.196 1.00 2.04 C ATOM 789 O TYR A 55 5.483 -50.606 1.706 1.00 24.44 O ATOM 790 CB TYR A 55 7.391 -48.215 1.983 1.00 42.43 C ATOM 791 CG TYR A 55 7.989 -46.977 1.351 1.00 31.44 C ATOM 792 CD1 TYR A 55 8.735 -46.080 2.106 1.00 61.22 C ATOM 793 CD2 TYR A 55 7.807 -46.705 0.001 1.00 32.13 C ATOM 794 CE1 TYR A 55 9.283 -44.948 1.534 1.00 75.23 C ATOM 795 CE2 TYR A 55 8.352 -45.576 -0.580 1.00 32.45 C ATOM 796 CZ TYR A 55 9.089 -44.701 0.191 1.00 55.03 C ATOM 797 OH TYR A 55 9.632 -43.575 -0.384 1.00 12.21 O ATOM 0 H TYR A 55 5.778 -48.841 3.951 1.00 53.34 H new ATOM 0 HA TYR A 55 5.503 -47.366 1.408 1.00 15.12 H new ATOM 0 HB2 TYR A 55 7.719 -48.278 3.021 1.00 42.43 H new ATOM 0 HB3 TYR A 55 7.778 -49.097 1.472 1.00 42.43 H new ATOM 0 HD1 TYR A 55 8.889 -46.271 3.158 1.00 61.22 H new ATOM 0 HD2 TYR A 55 7.230 -47.388 -0.605 1.00 32.13 H new ATOM 0 HE1 TYR A 55 9.860 -44.261 2.135 1.00 75.23 H new ATOM 0 HE2 TYR A 55 8.202 -45.380 -1.631 1.00 32.45 H new ATOM 0 HH TYR A 55 9.065 -43.282 -1.128 1.00 12.21 H new ATOM 807 N ARG A 56 4.877 -49.288 -0.014 1.00 24.21 N ATOM 808 CA ARG A 56 4.387 -50.392 -0.830 1.00 63.41 C ATOM 809 C ARG A 56 5.014 -50.360 -2.221 1.00 21.31 C ATOM 810 O ARG A 56 4.575 -49.612 -3.093 1.00 70.32 O ATOM 811 CB ARG A 56 2.863 -50.333 -0.945 1.00 10.45 C ATOM 812 CG ARG A 56 2.248 -51.585 -1.548 1.00 11.23 C ATOM 813 CD ARG A 56 1.927 -51.393 -3.022 1.00 32.33 C ATOM 814 NE ARG A 56 2.157 -52.611 -3.795 1.00 15.14 N ATOM 815 CZ ARG A 56 1.422 -53.710 -3.670 1.00 33.45 C ATOM 816 NH1 ARG A 56 0.415 -53.745 -2.807 1.00 42.42 N ATOM 817 NH2 ARG A 56 1.693 -54.779 -4.409 1.00 12.35 N ATOM 0 H ARG A 56 4.792 -48.370 -0.451 1.00 24.21 H new ATOM 0 HA ARG A 56 4.672 -51.325 -0.343 1.00 63.41 H new ATOM 0 HB2 ARG A 56 2.439 -50.171 0.046 1.00 10.45 H new ATOM 0 HB3 ARG A 56 2.586 -49.473 -1.555 1.00 10.45 H new ATOM 0 HG2 ARG A 56 2.936 -52.423 -1.430 1.00 11.23 H new ATOM 0 HG3 ARG A 56 1.337 -51.842 -1.007 1.00 11.23 H new ATOM 0 HD2 ARG A 56 0.887 -51.086 -3.130 1.00 32.33 H new ATOM 0 HD3 ARG A 56 2.540 -50.587 -3.425 1.00 32.33 H new ATOM 0 HE ARG A 56 2.924 -52.618 -4.467 1.00 15.14 H new ATOM 0 HH11 ARG A 56 0.203 -52.926 -2.237 1.00 42.42 H new ATOM 0 HH12 ARG A 56 -0.147 -54.591 -2.714 1.00 42.42 H new ATOM 0 HH21 ARG A 56 2.466 -54.757 -5.074 1.00 12.35 H new ATOM 0 HH22 ARG A 56 1.128 -55.623 -4.312 1.00 12.35 H new ATOM 831 N ASN A 57 6.044 -51.177 -2.419 1.00 74.23 N ATOM 832 CA ASN A 57 6.732 -51.242 -3.704 1.00 12.54 C ATOM 833 C ASN A 57 6.663 -52.649 -4.288 1.00 34.21 C ATOM 834 O ASN A 57 6.528 -53.640 -3.570 1.00 23.31 O ATOM 835 CB ASN A 57 8.192 -50.814 -3.545 1.00 64.31 C ATOM 836 CG ASN A 57 8.516 -49.558 -4.331 1.00 32.14 C ATOM 837 OD1 ASN A 57 7.664 -49.017 -5.036 1.00 62.43 O ATOM 838 ND2 ASN A 57 9.752 -49.088 -4.211 1.00 50.15 N ATOM 0 H ASN A 57 6.420 -51.803 -1.707 1.00 74.23 H new ATOM 0 HA ASN A 57 6.232 -50.559 -4.391 1.00 12.54 H new ATOM 0 HB2 ASN A 57 8.405 -50.644 -2.490 1.00 64.31 H new ATOM 0 HB3 ASN A 57 8.843 -51.624 -3.875 1.00 64.31 H new ATOM 0 HD21 ASN A 57 10.028 -48.245 -4.715 1.00 50.15 H new ATOM 0 HD22 ASN A 57 10.425 -49.570 -3.615 1.00 50.15 H new ATOM 845 N PRO A 58 6.757 -52.741 -5.623 1.00 32.03 N ATOM 846 CA PRO A 58 6.709 -54.022 -6.333 1.00 74.24 C ATOM 847 C PRO A 58 7.954 -54.868 -6.089 1.00 51.22 C ATOM 848 O PRO A 58 7.859 -56.053 -5.769 1.00 40.25 O ATOM 849 CB PRO A 58 6.623 -53.609 -7.805 1.00 1.33 C ATOM 850 CG PRO A 58 7.245 -52.256 -7.855 1.00 12.23 C ATOM 851 CD PRO A 58 6.918 -51.601 -6.541 1.00 22.20 C ATOM 0 HA PRO A 58 5.876 -54.641 -6.000 1.00 74.24 H new ATOM 0 HB2 PRO A 58 7.154 -54.313 -8.446 1.00 1.33 H new ATOM 0 HB3 PRO A 58 5.589 -53.583 -8.149 1.00 1.33 H new ATOM 0 HG2 PRO A 58 8.323 -52.327 -7.998 1.00 12.23 H new ATOM 0 HG3 PRO A 58 6.851 -51.676 -8.689 1.00 12.23 H new ATOM 0 HD2 PRO A 58 7.715 -50.933 -6.216 1.00 22.20 H new ATOM 0 HD3 PRO A 58 6.008 -51.005 -6.605 1.00 22.20 H new ATOM 859 N VAL A 59 9.122 -54.251 -6.242 1.00 34.14 N ATOM 860 CA VAL A 59 10.386 -54.947 -6.036 1.00 2.01 C ATOM 861 C VAL A 59 10.695 -55.099 -4.551 1.00 34.03 C ATOM 862 O VAL A 59 11.357 -56.051 -4.138 1.00 44.30 O ATOM 863 CB VAL A 59 11.552 -54.206 -6.718 1.00 32.21 C ATOM 864 CG1 VAL A 59 11.317 -54.106 -8.217 1.00 54.13 C ATOM 865 CG2 VAL A 59 11.737 -52.826 -6.105 1.00 75.13 C ATOM 0 H VAL A 59 9.218 -53.271 -6.508 1.00 34.14 H new ATOM 0 HA VAL A 59 10.280 -55.935 -6.485 1.00 2.01 H new ATOM 0 HB VAL A 59 12.467 -54.776 -6.556 1.00 32.21 H new ATOM 0 HG11 VAL A 59 12.151 -53.580 -8.682 1.00 54.13 H new ATOM 0 HG12 VAL A 59 11.239 -55.107 -8.641 1.00 54.13 H new ATOM 0 HG13 VAL A 59 10.393 -53.559 -8.405 1.00 54.13 H new ATOM 0 HG21 VAL A 59 12.565 -52.317 -6.599 1.00 75.13 H new ATOM 0 HG22 VAL A 59 10.824 -52.245 -6.235 1.00 75.13 H new ATOM 0 HG23 VAL A 59 11.955 -52.926 -5.042 1.00 75.13 H new ATOM 875 N SER A 60 10.209 -54.155 -3.751 1.00 51.33 N ATOM 876 CA SER A 60 10.435 -54.181 -2.311 1.00 63.40 C ATOM 877 C SER A 60 9.620 -55.290 -1.653 1.00 74.44 C ATOM 878 O SER A 60 10.018 -55.844 -0.629 1.00 1.51 O ATOM 879 CB SER A 60 10.073 -52.830 -1.691 1.00 60.43 C ATOM 880 OG SER A 60 10.486 -52.763 -0.337 1.00 75.42 O ATOM 0 H SER A 60 9.656 -53.362 -4.076 1.00 51.33 H new ATOM 0 HA SER A 60 11.493 -54.380 -2.138 1.00 63.40 H new ATOM 0 HB2 SER A 60 10.545 -52.028 -2.258 1.00 60.43 H new ATOM 0 HB3 SER A 60 8.996 -52.674 -1.754 1.00 60.43 H new ATOM 0 HG SER A 60 10.245 -51.889 0.036 1.00 75.42 H new ATOM 886 N GLN A 61 8.476 -55.609 -2.251 1.00 11.00 N ATOM 887 CA GLN A 61 7.603 -56.651 -1.723 1.00 63.23 C ATOM 888 C GLN A 61 7.311 -56.419 -0.245 1.00 32.24 C ATOM 889 O GLN A 61 7.425 -57.334 0.572 1.00 72.43 O ATOM 890 CB GLN A 61 8.241 -58.028 -1.919 1.00 43.44 C ATOM 891 CG GLN A 61 8.658 -58.306 -3.354 1.00 43.05 C ATOM 892 CD GLN A 61 8.873 -59.782 -3.624 1.00 20.32 C ATOM 893 OE1 GLN A 61 9.651 -60.444 -2.936 1.00 43.22 O ATOM 894 NE2 GLN A 61 8.182 -60.308 -4.629 1.00 1.42 N ATOM 0 H GLN A 61 8.133 -55.161 -3.101 1.00 11.00 H new ATOM 0 HA GLN A 61 6.661 -56.613 -2.271 1.00 63.23 H new ATOM 0 HB2 GLN A 61 9.115 -58.110 -1.273 1.00 43.44 H new ATOM 0 HB3 GLN A 61 7.536 -58.795 -1.599 1.00 43.44 H new ATOM 0 HG2 GLN A 61 7.894 -57.924 -4.031 1.00 43.05 H new ATOM 0 HG3 GLN A 61 9.577 -57.763 -3.573 1.00 43.05 H new ATOM 0 HE21 GLN A 61 7.548 -59.723 -5.173 1.00 1.42 H new ATOM 0 HE22 GLN A 61 8.285 -61.297 -4.856 1.00 1.42 H new ATOM 903 N CYS A 62 6.934 -55.191 0.093 1.00 2.02 N ATOM 904 CA CYS A 62 6.626 -54.838 1.475 1.00 64.33 C ATOM 905 C CYS A 62 7.860 -54.981 2.360 1.00 42.00 C ATOM 906 O CYS A 62 8.218 -56.085 2.769 1.00 3.01 O ATOM 907 CB CYS A 62 5.496 -55.720 2.008 1.00 2.32 C ATOM 908 SG CYS A 62 3.892 -54.891 2.094 1.00 15.00 S ATOM 0 H CYS A 62 6.834 -54.423 -0.571 1.00 2.02 H new ATOM 0 HA CYS A 62 6.305 -53.797 1.496 1.00 64.33 H new ATOM 0 HB2 CYS A 62 5.405 -56.600 1.371 1.00 2.32 H new ATOM 0 HB3 CYS A 62 5.764 -56.074 3.004 1.00 2.32 H new ATOM 0 HG CYS A 62 3.000 -55.718 2.554 1.00 15.00 H new ATOM 914 N MET A 63 8.507 -53.857 2.650 1.00 12.24 N ATOM 915 CA MET A 63 9.701 -53.857 3.487 1.00 23.10 C ATOM 916 C MET A 63 9.958 -52.470 4.068 1.00 23.42 C ATOM 917 O MET A 63 9.902 -52.276 5.283 1.00 62.04 O ATOM 918 CB MET A 63 10.916 -54.317 2.679 1.00 70.23 C ATOM 919 CG MET A 63 11.561 -55.584 3.218 1.00 13.32 C ATOM 920 SD MET A 63 13.356 -55.575 3.050 1.00 72.45 S ATOM 921 CE MET A 63 13.606 -57.023 2.026 1.00 64.53 C ATOM 0 H MET A 63 8.225 -52.935 2.318 1.00 12.24 H new ATOM 0 HA MET A 63 9.537 -54.552 4.311 1.00 23.10 H new ATOM 0 HB2 MET A 63 10.612 -54.485 1.646 1.00 70.23 H new ATOM 0 HB3 MET A 63 11.658 -53.518 2.667 1.00 70.23 H new ATOM 0 HG2 MET A 63 11.299 -55.701 4.270 1.00 13.32 H new ATOM 0 HG3 MET A 63 11.155 -56.447 2.690 1.00 13.32 H new ATOM 0 HE1 MET A 63 14.671 -57.153 1.833 1.00 64.53 H new ATOM 0 HE2 MET A 63 13.221 -57.903 2.540 1.00 64.53 H new ATOM 0 HE3 MET A 63 13.079 -56.895 1.080 1.00 64.53 H new ATOM 931 N ARG A 64 10.240 -51.510 3.194 1.00 63.12 N ATOM 932 CA ARG A 64 10.507 -50.142 3.621 1.00 23.01 C ATOM 933 C ARG A 64 9.318 -49.569 4.386 1.00 32.42 C ATOM 934 O ARG A 64 8.330 -50.262 4.628 1.00 63.32 O ATOM 935 CB ARG A 64 10.822 -49.260 2.412 1.00 41.42 C ATOM 936 CG ARG A 64 12.274 -48.814 2.344 1.00 33.31 C ATOM 937 CD ARG A 64 12.470 -47.455 2.997 1.00 44.01 C ATOM 938 NE ARG A 64 13.879 -47.073 3.052 1.00 31.02 N ATOM 939 CZ ARG A 64 14.723 -47.511 3.979 1.00 24.32 C ATOM 940 NH1 ARG A 64 14.304 -48.342 4.923 1.00 32.51 N ATOM 941 NH2 ARG A 64 15.991 -47.118 3.963 1.00 73.41 N ATOM 0 H ARG A 64 10.290 -51.654 2.185 1.00 63.12 H new ATOM 0 HA ARG A 64 11.371 -50.158 4.286 1.00 23.01 H new ATOM 0 HB2 ARG A 64 10.575 -49.805 1.501 1.00 41.42 H new ATOM 0 HB3 ARG A 64 10.181 -48.379 2.439 1.00 41.42 H new ATOM 0 HG2 ARG A 64 12.906 -49.551 2.839 1.00 33.31 H new ATOM 0 HG3 ARG A 64 12.593 -48.768 1.303 1.00 33.31 H new ATOM 0 HD2 ARG A 64 11.911 -46.702 2.441 1.00 44.01 H new ATOM 0 HD3 ARG A 64 12.060 -47.475 4.007 1.00 44.01 H new ATOM 0 HE ARG A 64 14.234 -46.435 2.340 1.00 31.02 H new ATOM 0 HH11 ARG A 64 13.331 -48.647 4.939 1.00 32.51 H new ATOM 0 HH12 ARG A 64 14.955 -48.677 5.634 1.00 32.51 H new ATOM 0 HH21 ARG A 64 16.318 -46.479 3.238 1.00 73.41 H new ATOM 0 HH22 ARG A 64 16.638 -47.455 4.676 1.00 73.41 H new ATOM 955 N GLY A 65 9.420 -48.299 4.766 1.00 64.15 N ATOM 956 CA GLY A 65 8.347 -47.655 5.500 1.00 71.23 C ATOM 957 C GLY A 65 8.655 -46.208 5.827 1.00 4.41 C ATOM 958 O GLY A 65 9.663 -45.910 6.468 1.00 0.45 O ATOM 0 H GLY A 65 10.227 -47.705 4.578 1.00 64.15 H new ATOM 0 HA2 GLY A 65 7.429 -47.704 4.914 1.00 71.23 H new ATOM 0 HA3 GLY A 65 8.164 -48.202 6.425 1.00 71.23 H new ATOM 962 N VAL A 66 7.787 -45.304 5.384 1.00 34.21 N ATOM 963 CA VAL A 66 7.971 -43.880 5.633 1.00 4.41 C ATOM 964 C VAL A 66 8.209 -43.607 7.114 1.00 2.21 C ATOM 965 O VAL A 66 7.378 -43.941 7.959 1.00 62.34 O ATOM 966 CB VAL A 66 6.752 -43.065 5.162 1.00 43.34 C ATOM 967 CG1 VAL A 66 6.933 -41.592 5.496 1.00 15.14 C ATOM 968 CG2 VAL A 66 6.528 -43.257 3.669 1.00 22.24 C ATOM 0 H VAL A 66 6.949 -45.533 4.850 1.00 34.21 H new ATOM 0 HA VAL A 66 8.847 -43.571 5.064 1.00 4.41 H new ATOM 0 HB VAL A 66 5.869 -43.427 5.689 1.00 43.34 H new ATOM 0 HG11 VAL A 66 6.062 -41.032 5.156 1.00 15.14 H new ATOM 0 HG12 VAL A 66 7.042 -41.474 6.574 1.00 15.14 H new ATOM 0 HG13 VAL A 66 7.825 -41.213 4.998 1.00 15.14 H new ATOM 0 HG21 VAL A 66 5.663 -42.674 3.353 1.00 22.24 H new ATOM 0 HG22 VAL A 66 7.410 -42.923 3.123 1.00 22.24 H new ATOM 0 HG23 VAL A 66 6.351 -44.312 3.460 1.00 22.24 H new ATOM 978 N ARG A 67 9.349 -42.997 7.422 1.00 1.21 N ATOM 979 CA ARG A 67 9.697 -42.679 8.802 1.00 61.32 C ATOM 980 C ARG A 67 8.976 -41.418 9.268 1.00 41.11 C ATOM 981 O ARG A 67 8.838 -40.454 8.513 1.00 32.23 O ATOM 982 CB ARG A 67 11.210 -42.495 8.939 1.00 34.53 C ATOM 983 CG ARG A 67 11.644 -42.035 10.321 1.00 30.02 C ATOM 984 CD ARG A 67 11.342 -43.085 11.379 1.00 64.33 C ATOM 985 NE ARG A 67 10.825 -42.491 12.608 1.00 21.04 N ATOM 986 CZ ARG A 67 10.824 -43.114 13.782 1.00 43.32 C ATOM 987 NH1 ARG A 67 11.311 -44.343 13.884 1.00 2.42 N ATOM 988 NH2 ARG A 67 10.336 -42.507 14.856 1.00 1.30 N ATOM 0 H ARG A 67 10.047 -42.713 6.735 1.00 1.21 H new ATOM 0 HA ARG A 67 9.380 -43.511 9.431 1.00 61.32 H new ATOM 0 HB2 ARG A 67 11.705 -43.438 8.707 1.00 34.53 H new ATOM 0 HB3 ARG A 67 11.548 -41.768 8.200 1.00 34.53 H new ATOM 0 HG2 ARG A 67 12.713 -41.820 10.315 1.00 30.02 H new ATOM 0 HG3 ARG A 67 11.133 -41.106 10.573 1.00 30.02 H new ATOM 0 HD2 ARG A 67 10.615 -43.796 10.987 1.00 64.33 H new ATOM 0 HD3 ARG A 67 12.249 -43.647 11.602 1.00 64.33 H new ATOM 0 HE ARG A 67 10.444 -41.546 12.563 1.00 21.04 H new ATOM 0 HH11 ARG A 67 11.688 -44.812 13.060 1.00 2.42 H new ATOM 0 HH12 ARG A 67 11.309 -44.819 14.786 1.00 2.42 H new ATOM 0 HH21 ARG A 67 9.961 -41.561 14.781 1.00 1.30 H new ATOM 0 HH22 ARG A 67 10.336 -42.986 15.757 1.00 1.30 H new ATOM 1002 N LEU A 68 8.518 -41.431 10.515 1.00 62.12 N ATOM 1003 CA LEU A 68 7.811 -40.288 11.082 1.00 34.42 C ATOM 1004 C LEU A 68 8.493 -39.803 12.357 1.00 64.40 C ATOM 1005 O LEU A 68 8.691 -40.571 13.299 1.00 64.45 O ATOM 1006 CB LEU A 68 6.357 -40.660 11.378 1.00 14.34 C ATOM 1007 CG LEU A 68 5.510 -39.576 12.046 1.00 54.31 C ATOM 1008 CD1 LEU A 68 5.722 -39.584 13.552 1.00 44.33 C ATOM 1009 CD2 LEU A 68 5.840 -38.208 11.466 1.00 21.10 C ATOM 0 H LEU A 68 8.624 -42.220 11.153 1.00 62.12 H new ATOM 0 HA LEU A 68 7.832 -39.480 10.351 1.00 34.42 H new ATOM 0 HB2 LEU A 68 5.877 -40.942 10.441 1.00 14.34 H new ATOM 0 HB3 LEU A 68 6.352 -41.543 12.017 1.00 14.34 H new ATOM 0 HG LEU A 68 4.460 -39.789 11.847 1.00 54.31 H new ATOM 0 HD11 LEU A 68 5.111 -38.806 14.010 1.00 44.33 H new ATOM 0 HD12 LEU A 68 5.434 -40.555 13.955 1.00 44.33 H new ATOM 0 HD13 LEU A 68 6.773 -39.397 13.772 1.00 44.33 H new ATOM 0 HD21 LEU A 68 5.228 -37.449 11.953 1.00 21.10 H new ATOM 0 HD22 LEU A 68 6.894 -37.986 11.633 1.00 21.10 H new ATOM 0 HD23 LEU A 68 5.635 -38.208 10.395 1.00 21.10 H new ATOM 1021 N VAL A 69 8.850 -38.523 12.381 1.00 13.10 N ATOM 1022 CA VAL A 69 9.507 -37.934 13.541 1.00 2.05 C ATOM 1023 C VAL A 69 9.025 -36.508 13.781 1.00 2.41 C ATOM 1024 O VAL A 69 9.184 -35.637 12.926 1.00 32.12 O ATOM 1025 CB VAL A 69 11.038 -37.926 13.375 1.00 43.42 C ATOM 1026 CG1 VAL A 69 11.428 -37.280 12.054 1.00 63.22 C ATOM 1027 CG2 VAL A 69 11.697 -37.208 14.543 1.00 1.02 C ATOM 0 H VAL A 69 8.695 -37.874 11.610 1.00 13.10 H new ATOM 0 HA VAL A 69 9.245 -38.552 14.400 1.00 2.05 H new ATOM 0 HB VAL A 69 11.390 -38.957 13.367 1.00 43.42 H new ATOM 0 HG11 VAL A 69 12.513 -37.283 11.954 1.00 63.22 H new ATOM 0 HG12 VAL A 69 10.986 -37.841 11.230 1.00 63.22 H new ATOM 0 HG13 VAL A 69 11.064 -36.253 12.030 1.00 63.22 H new ATOM 0 HG21 VAL A 69 12.779 -37.212 14.409 1.00 1.02 H new ATOM 0 HG22 VAL A 69 11.340 -36.179 14.585 1.00 1.02 H new ATOM 0 HG23 VAL A 69 11.445 -37.718 15.473 1.00 1.02 H new ATOM 1037 N GLU A 70 8.436 -36.276 14.950 1.00 24.33 N ATOM 1038 CA GLU A 70 7.931 -34.955 15.302 1.00 52.40 C ATOM 1039 C GLU A 70 6.800 -34.538 14.366 1.00 13.02 C ATOM 1040 O GLU A 70 6.565 -33.350 14.148 1.00 24.12 O ATOM 1041 CB GLU A 70 9.059 -33.922 15.248 1.00 14.21 C ATOM 1042 CG GLU A 70 10.328 -34.369 15.953 1.00 31.33 C ATOM 1043 CD GLU A 70 10.807 -33.366 16.985 1.00 74.50 C ATOM 1044 OE1 GLU A 70 10.672 -32.150 16.736 1.00 61.01 O ATOM 1045 OE2 GLU A 70 11.316 -33.797 18.041 1.00 73.45 O ATOM 0 H GLU A 70 8.297 -36.986 15.669 1.00 24.33 H new ATOM 0 HA GLU A 70 7.540 -35.003 16.318 1.00 52.40 H new ATOM 0 HB2 GLU A 70 9.290 -33.703 14.206 1.00 14.21 H new ATOM 0 HB3 GLU A 70 8.711 -32.993 15.699 1.00 14.21 H new ATOM 0 HG2 GLU A 70 10.150 -35.328 16.439 1.00 31.33 H new ATOM 0 HG3 GLU A 70 11.113 -34.527 15.214 1.00 31.33 H new ATOM 1052 N GLY A 71 6.101 -35.526 13.815 1.00 63.02 N ATOM 1053 CA GLY A 71 5.004 -35.243 12.908 1.00 11.24 C ATOM 1054 C GLY A 71 5.455 -35.144 11.465 1.00 61.04 C ATOM 1055 O GLY A 71 4.673 -35.387 10.545 1.00 11.41 O ATOM 0 H GLY A 71 6.275 -36.517 13.981 1.00 63.02 H new ATOM 0 HA2 GLY A 71 4.252 -36.027 12.997 1.00 11.24 H new ATOM 0 HA3 GLY A 71 4.527 -34.308 13.201 1.00 11.24 H new ATOM 1059 N ILE A 72 6.719 -34.786 11.265 1.00 52.54 N ATOM 1060 CA ILE A 72 7.272 -34.655 9.922 1.00 11.34 C ATOM 1061 C ILE A 72 7.631 -36.018 9.340 1.00 13.24 C ATOM 1062 O ILE A 72 8.445 -36.751 9.904 1.00 54.03 O ATOM 1063 CB ILE A 72 8.525 -33.760 9.915 1.00 43.22 C ATOM 1064 CG1 ILE A 72 8.185 -32.364 10.441 1.00 42.12 C ATOM 1065 CG2 ILE A 72 9.108 -33.676 8.512 1.00 54.33 C ATOM 1066 CD1 ILE A 72 8.942 -31.990 11.696 1.00 33.33 C ATOM 0 H ILE A 72 7.379 -34.582 12.015 1.00 52.54 H new ATOM 0 HA ILE A 72 6.501 -34.192 9.306 1.00 11.34 H new ATOM 0 HB ILE A 72 9.273 -34.203 10.573 1.00 43.22 H new ATOM 0 HG12 ILE A 72 8.400 -31.630 9.665 1.00 42.12 H new ATOM 0 HG13 ILE A 72 7.115 -32.311 10.642 1.00 42.12 H new ATOM 0 HG21 ILE A 72 9.993 -33.040 8.523 1.00 54.33 H new ATOM 0 HG22 ILE A 72 9.383 -34.674 8.172 1.00 54.33 H new ATOM 0 HG23 ILE A 72 8.366 -33.253 7.834 1.00 54.33 H new ATOM 0 HD11 ILE A 72 8.651 -30.988 12.012 1.00 33.33 H new ATOM 0 HD12 ILE A 72 8.708 -32.702 12.488 1.00 33.33 H new ATOM 0 HD13 ILE A 72 10.013 -32.010 11.494 1.00 33.33 H new ATOM 1078 N LEU A 73 7.020 -36.351 8.209 1.00 52.02 N ATOM 1079 CA LEU A 73 7.276 -37.626 7.548 1.00 72.01 C ATOM 1080 C LEU A 73 8.587 -37.583 6.770 1.00 2.51 C ATOM 1081 O LEU A 73 8.676 -36.952 5.716 1.00 15.00 O ATOM 1082 CB LEU A 73 6.122 -37.975 6.606 1.00 63.31 C ATOM 1083 CG LEU A 73 4.849 -38.501 7.270 1.00 41.32 C ATOM 1084 CD1 LEU A 73 5.154 -39.732 8.109 1.00 12.55 C ATOM 1085 CD2 LEU A 73 4.206 -37.417 8.123 1.00 40.23 C ATOM 0 H LEU A 73 6.344 -35.756 7.730 1.00 52.02 H new ATOM 0 HA LEU A 73 7.356 -38.395 8.316 1.00 72.01 H new ATOM 0 HB2 LEU A 73 5.867 -37.085 6.031 1.00 63.31 H new ATOM 0 HB3 LEU A 73 6.473 -38.723 5.895 1.00 63.31 H new ATOM 0 HG LEU A 73 4.145 -38.786 6.488 1.00 41.32 H new ATOM 0 HD11 LEU A 73 4.236 -40.092 8.574 1.00 12.55 H new ATOM 0 HD12 LEU A 73 5.569 -40.513 7.472 1.00 12.55 H new ATOM 0 HD13 LEU A 73 5.876 -39.474 8.884 1.00 12.55 H new ATOM 0 HD21 LEU A 73 3.301 -37.809 8.588 1.00 40.23 H new ATOM 0 HD22 LEU A 73 4.905 -37.101 8.898 1.00 40.23 H new ATOM 0 HD23 LEU A 73 3.951 -36.563 7.495 1.00 40.23 H new ATOM 1097 N HIS A 74 9.604 -38.259 7.296 1.00 52.41 N ATOM 1098 CA HIS A 74 10.911 -38.300 6.649 1.00 14.42 C ATOM 1099 C HIS A 74 10.913 -39.293 5.492 1.00 70.45 C ATOM 1100 O HIS A 74 10.193 -40.291 5.516 1.00 25.32 O ATOM 1101 CB HIS A 74 11.993 -38.676 7.662 1.00 54.11 C ATOM 1102 CG HIS A 74 13.171 -37.752 7.650 1.00 2.34 C ATOM 1103 ND1 HIS A 74 13.937 -37.522 6.527 1.00 75.04 N ATOM 1104 CD2 HIS A 74 13.713 -36.996 8.634 1.00 63.11 C ATOM 1105 CE1 HIS A 74 14.900 -36.667 6.820 1.00 55.52 C ATOM 1106 NE2 HIS A 74 14.786 -36.332 8.092 1.00 0.54 N ATOM 0 H HIS A 74 9.548 -38.785 8.168 1.00 52.41 H new ATOM 0 HA HIS A 74 11.125 -37.307 6.253 1.00 14.42 H new ATOM 0 HB2 HIS A 74 11.557 -38.683 8.661 1.00 54.11 H new ATOM 0 HB3 HIS A 74 12.335 -39.690 7.456 1.00 54.11 H new ATOM 0 HD2 HIS A 74 13.366 -36.928 9.655 1.00 63.11 H new ATOM 0 HE1 HIS A 74 15.652 -36.304 6.136 1.00 55.52 H new ATOM 0 HE2 HIS A 74 15.396 -35.685 8.591 1.00 0.54 H new ATOM 1114 N ALA A 75 11.726 -39.012 4.479 1.00 61.44 N ATOM 1115 CA ALA A 75 11.823 -39.882 3.313 1.00 53.03 C ATOM 1116 C ALA A 75 13.047 -40.787 3.403 1.00 73.02 C ATOM 1117 O ALA A 75 14.008 -40.502 4.117 1.00 44.23 O ATOM 1118 CB ALA A 75 11.870 -39.052 2.038 1.00 30.51 C ATOM 0 H ALA A 75 12.327 -38.189 4.442 1.00 61.44 H new ATOM 0 HA ALA A 75 10.937 -40.516 3.289 1.00 53.03 H new ATOM 0 HB1 ALA A 75 11.942 -39.714 1.175 1.00 30.51 H new ATOM 0 HB2 ALA A 75 10.963 -38.453 1.960 1.00 30.51 H new ATOM 0 HB3 ALA A 75 12.738 -38.394 2.064 1.00 30.51 H new ATOM 1124 N PRO A 76 13.012 -41.905 2.663 1.00 24.30 N ATOM 1125 CA PRO A 76 14.112 -42.875 2.643 1.00 75.11 C ATOM 1126 C PRO A 76 15.351 -42.332 1.941 1.00 43.31 C ATOM 1127 O PRO A 76 15.397 -41.162 1.558 1.00 23.44 O ATOM 1128 CB PRO A 76 13.529 -44.055 1.862 1.00 72.54 C ATOM 1129 CG PRO A 76 12.471 -43.455 1.002 1.00 72.13 C ATOM 1130 CD PRO A 76 11.898 -42.309 1.789 1.00 43.12 C ATOM 0 HA PRO A 76 14.446 -43.134 3.648 1.00 75.11 H new ATOM 0 HB2 PRO A 76 14.293 -44.549 1.262 1.00 72.54 H new ATOM 0 HB3 PRO A 76 13.114 -44.807 2.533 1.00 72.54 H new ATOM 0 HG2 PRO A 76 12.887 -43.109 0.056 1.00 72.13 H new ATOM 0 HG3 PRO A 76 11.701 -44.188 0.763 1.00 72.13 H new ATOM 0 HD2 PRO A 76 11.581 -41.494 1.139 1.00 43.12 H new ATOM 0 HD3 PRO A 76 11.025 -42.614 2.366 1.00 43.12 H new ATOM 1138 N ASP A 77 16.354 -43.187 1.775 1.00 71.25 N ATOM 1139 CA ASP A 77 17.594 -42.793 1.117 1.00 43.13 C ATOM 1140 C ASP A 77 17.422 -42.769 -0.399 1.00 12.12 C ATOM 1141 O ASP A 77 18.343 -42.413 -1.133 1.00 24.43 O ATOM 1142 CB ASP A 77 18.725 -43.749 1.499 1.00 63.04 C ATOM 1143 CG ASP A 77 19.360 -43.393 2.829 1.00 72.33 C ATOM 1144 OD1 ASP A 77 18.969 -42.363 3.416 1.00 15.15 O ATOM 1145 OD2 ASP A 77 20.247 -44.146 3.282 1.00 11.35 O ATOM 0 H ASP A 77 16.333 -44.158 2.087 1.00 71.25 H new ATOM 0 HA ASP A 77 17.850 -41.788 1.451 1.00 43.13 H new ATOM 0 HB2 ASP A 77 18.337 -44.766 1.546 1.00 63.04 H new ATOM 0 HB3 ASP A 77 19.488 -43.735 0.720 1.00 63.04 H new ATOM 1150 N ALA A 78 16.235 -43.151 -0.860 1.00 43.54 N ATOM 1151 CA ALA A 78 15.942 -43.172 -2.288 1.00 12.21 C ATOM 1152 C ALA A 78 14.966 -42.062 -2.664 1.00 72.23 C ATOM 1153 O ALA A 78 14.946 -41.600 -3.804 1.00 51.12 O ATOM 1154 CB ALA A 78 15.383 -44.528 -2.692 1.00 22.23 C ATOM 0 H ALA A 78 15.462 -43.450 -0.266 1.00 43.54 H new ATOM 0 HA ALA A 78 16.873 -43.000 -2.828 1.00 12.21 H new ATOM 0 HB1 ALA A 78 15.169 -44.529 -3.761 1.00 22.23 H new ATOM 0 HB2 ALA A 78 16.114 -45.305 -2.467 1.00 22.23 H new ATOM 0 HB3 ALA A 78 14.465 -44.723 -2.138 1.00 22.23 H new ATOM 1160 N GLY A 79 14.156 -41.639 -1.698 1.00 61.41 N ATOM 1161 CA GLY A 79 13.188 -40.588 -1.949 1.00 11.23 C ATOM 1162 C GLY A 79 11.758 -41.070 -1.805 1.00 0.24 C ATOM 1163 O GLY A 79 11.517 -42.247 -1.537 1.00 0.13 O ATOM 0 H GLY A 79 14.153 -42.006 -0.746 1.00 61.41 H new ATOM 0 HA2 GLY A 79 13.362 -39.765 -1.256 1.00 11.23 H new ATOM 0 HA3 GLY A 79 13.336 -40.195 -2.955 1.00 11.23 H new ATOM 1167 N TRP A 80 10.808 -40.159 -1.981 1.00 0.20 N ATOM 1168 CA TRP A 80 9.394 -40.498 -1.867 1.00 51.41 C ATOM 1169 C TRP A 80 8.979 -41.477 -2.959 1.00 62.24 C ATOM 1170 O TRP A 80 8.502 -42.574 -2.674 1.00 35.33 O ATOM 1171 CB TRP A 80 8.537 -39.233 -1.947 1.00 3.01 C ATOM 1172 CG TRP A 80 8.680 -38.343 -0.750 1.00 15.35 C ATOM 1173 CD1 TRP A 80 9.142 -37.058 -0.734 1.00 2.12 C ATOM 1174 CD2 TRP A 80 8.359 -38.672 0.606 1.00 34.33 C ATOM 1175 NE1 TRP A 80 9.128 -36.569 0.550 1.00 2.22 N ATOM 1176 CE2 TRP A 80 8.651 -37.539 1.391 1.00 70.42 C ATOM 1177 CE3 TRP A 80 7.851 -39.813 1.234 1.00 71.03 C ATOM 1178 CZ2 TRP A 80 8.453 -37.517 2.769 1.00 70.32 C ATOM 1179 CZ3 TRP A 80 7.655 -39.790 2.601 1.00 3.45 C ATOM 1180 CH2 TRP A 80 7.955 -38.648 3.357 1.00 71.12 C ATOM 0 H TRP A 80 10.991 -39.180 -2.203 1.00 0.20 H new ATOM 0 HA TRP A 80 9.237 -40.974 -0.899 1.00 51.41 H new ATOM 0 HB2 TRP A 80 8.810 -38.674 -2.842 1.00 3.01 H new ATOM 0 HB3 TRP A 80 7.491 -39.518 -2.056 1.00 3.01 H new ATOM 0 HD1 TRP A 80 9.470 -36.507 -1.603 1.00 2.12 H new ATOM 0 HE1 TRP A 80 9.425 -35.635 0.831 1.00 2.22 H new ATOM 0 HE3 TRP A 80 7.616 -40.697 0.660 1.00 71.03 H new ATOM 0 HZ2 TRP A 80 8.684 -36.639 3.353 1.00 70.32 H new ATOM 0 HZ3 TRP A 80 7.264 -40.667 3.096 1.00 3.45 H new ATOM 0 HH2 TRP A 80 7.790 -38.661 4.424 1.00 71.12 H new ATOM 1191 N GLY A 81 9.165 -41.073 -4.213 1.00 21.44 N ATOM 1192 CA GLY A 81 8.805 -41.928 -5.329 1.00 32.24 C ATOM 1193 C GLY A 81 7.344 -41.795 -5.713 1.00 24.44 C ATOM 1194 O GLY A 81 6.659 -40.878 -5.263 1.00 74.33 O ATOM 0 H GLY A 81 9.558 -40.169 -4.475 1.00 21.44 H new ATOM 0 HA2 GLY A 81 9.428 -41.680 -6.189 1.00 32.24 H new ATOM 0 HA3 GLY A 81 9.017 -42.966 -5.071 1.00 32.24 H new ATOM 1198 N ASN A 82 6.868 -42.713 -6.548 1.00 20.02 N ATOM 1199 CA ASN A 82 5.480 -42.693 -6.994 1.00 52.13 C ATOM 1200 C ASN A 82 4.801 -44.032 -6.721 1.00 11.44 C ATOM 1201 O ASN A 82 3.943 -44.473 -7.486 1.00 54.00 O ATOM 1202 CB ASN A 82 5.407 -42.367 -8.488 1.00 21.45 C ATOM 1203 CG ASN A 82 6.504 -41.417 -8.926 1.00 42.30 C ATOM 1204 OD1 ASN A 82 6.465 -40.192 -8.414 1.00 21.32 O flip ATOM 1205 ND2 ASN A 82 7.376 -41.779 -9.716 1.00 24.24 N flip ATOM 0 H ASN A 82 7.423 -43.479 -6.929 1.00 20.02 H new ATOM 0 HA ASN A 82 4.956 -41.919 -6.434 1.00 52.13 H new ATOM 0 HB2 ASN A 82 5.479 -43.290 -9.063 1.00 21.45 H new ATOM 0 HB3 ASN A 82 4.436 -41.926 -8.714 1.00 21.45 H new ATOM 0 HD21 ASN A 82 7.367 -42.730 -10.085 1.00 24.24 H new ATOM 0 HD22 ASN A 82 8.107 -41.128 -10.002 1.00 24.24 H new ATOM 1212 N LEU A 83 5.190 -44.673 -5.624 1.00 44.14 N ATOM 1213 CA LEU A 83 4.619 -45.961 -5.248 1.00 64.52 C ATOM 1214 C LEU A 83 3.402 -45.776 -4.347 1.00 45.35 C ATOM 1215 O LEU A 83 2.971 -44.651 -4.094 1.00 34.12 O ATOM 1216 CB LEU A 83 5.668 -46.818 -4.537 1.00 63.32 C ATOM 1217 CG LEU A 83 6.510 -46.107 -3.477 1.00 50.33 C ATOM 1218 CD1 LEU A 83 7.663 -45.357 -4.126 1.00 40.02 C ATOM 1219 CD2 LEU A 83 5.647 -45.157 -2.660 1.00 14.01 C ATOM 0 H LEU A 83 5.898 -44.322 -4.980 1.00 44.14 H new ATOM 0 HA LEU A 83 4.300 -46.468 -6.158 1.00 64.52 H new ATOM 0 HB2 LEU A 83 5.161 -47.660 -4.065 1.00 63.32 H new ATOM 0 HB3 LEU A 83 6.340 -47.232 -5.289 1.00 63.32 H new ATOM 0 HG LEU A 83 6.924 -46.859 -2.805 1.00 50.33 H new ATOM 0 HD11 LEU A 83 8.251 -44.857 -3.356 1.00 40.02 H new ATOM 0 HD12 LEU A 83 8.296 -46.060 -4.667 1.00 40.02 H new ATOM 0 HD13 LEU A 83 7.269 -44.615 -4.821 1.00 40.02 H new ATOM 0 HD21 LEU A 83 6.263 -44.660 -1.910 1.00 14.01 H new ATOM 0 HD22 LEU A 83 5.204 -44.410 -3.319 1.00 14.01 H new ATOM 0 HD23 LEU A 83 4.856 -45.719 -2.164 1.00 14.01 H new ATOM 1231 N VAL A 84 2.855 -46.887 -3.865 1.00 13.41 N ATOM 1232 CA VAL A 84 1.690 -46.846 -2.989 1.00 75.54 C ATOM 1233 C VAL A 84 2.103 -46.871 -1.522 1.00 44.03 C ATOM 1234 O VAL A 84 3.199 -47.320 -1.183 1.00 14.32 O ATOM 1235 CB VAL A 84 0.740 -48.028 -3.263 1.00 65.25 C ATOM 1236 CG1 VAL A 84 -0.604 -47.801 -2.589 1.00 23.53 C ATOM 1237 CG2 VAL A 84 0.567 -48.235 -4.761 1.00 34.25 C ATOM 0 H VAL A 84 3.199 -47.826 -4.066 1.00 13.41 H new ATOM 0 HA VAL A 84 1.168 -45.913 -3.201 1.00 75.54 H new ATOM 0 HB VAL A 84 1.181 -48.932 -2.843 1.00 65.25 H new ATOM 0 HG11 VAL A 84 -1.261 -48.646 -2.794 1.00 23.53 H new ATOM 0 HG12 VAL A 84 -0.460 -47.706 -1.513 1.00 23.53 H new ATOM 0 HG13 VAL A 84 -1.056 -46.888 -2.977 1.00 23.53 H new ATOM 0 HG21 VAL A 84 -0.107 -49.074 -4.937 1.00 34.25 H new ATOM 0 HG22 VAL A 84 0.148 -47.333 -5.207 1.00 34.25 H new ATOM 0 HG23 VAL A 84 1.536 -48.447 -5.213 1.00 34.25 H new ATOM 1247 N TYR A 85 1.221 -46.386 -0.656 1.00 74.32 N ATOM 1248 CA TYR A 85 1.495 -46.351 0.775 1.00 14.34 C ATOM 1249 C TYR A 85 0.319 -46.913 1.569 1.00 3.12 C ATOM 1250 O TYR A 85 -0.838 -46.763 1.178 1.00 71.25 O ATOM 1251 CB TYR A 85 1.789 -44.918 1.224 1.00 32.21 C ATOM 1252 CG TYR A 85 0.593 -44.214 1.826 1.00 64.55 C ATOM 1253 CD1 TYR A 85 -0.190 -43.358 1.061 1.00 32.43 C ATOM 1254 CD2 TYR A 85 0.248 -44.405 3.158 1.00 51.43 C ATOM 1255 CE1 TYR A 85 -1.283 -42.713 1.607 1.00 51.44 C ATOM 1256 CE2 TYR A 85 -0.844 -43.764 3.711 1.00 61.21 C ATOM 1257 CZ TYR A 85 -1.606 -42.919 2.932 1.00 71.15 C ATOM 1258 OH TYR A 85 -2.694 -42.278 3.479 1.00 24.22 O ATOM 0 H TYR A 85 0.310 -46.011 -0.920 1.00 74.32 H new ATOM 0 HA TYR A 85 2.370 -46.972 0.967 1.00 14.34 H new ATOM 0 HB2 TYR A 85 2.597 -44.934 1.956 1.00 32.21 H new ATOM 0 HB3 TYR A 85 2.145 -44.344 0.369 1.00 32.21 H new ATOM 0 HD1 TYR A 85 0.060 -43.194 0.023 1.00 32.43 H new ATOM 0 HD2 TYR A 85 0.843 -45.065 3.771 1.00 51.43 H new ATOM 0 HE1 TYR A 85 -1.882 -42.051 0.999 1.00 51.44 H new ATOM 0 HE2 TYR A 85 -1.099 -43.924 4.748 1.00 61.21 H new ATOM 0 HH TYR A 85 -2.944 -41.518 2.914 1.00 24.22 H new ATOM 1268 N VAL A 86 0.626 -47.561 2.689 1.00 52.22 N ATOM 1269 CA VAL A 86 -0.404 -48.145 3.540 1.00 4.34 C ATOM 1270 C VAL A 86 -0.552 -47.361 4.839 1.00 11.44 C ATOM 1271 O VAL A 86 0.388 -47.261 5.628 1.00 32.22 O ATOM 1272 CB VAL A 86 -0.088 -49.615 3.874 1.00 15.12 C ATOM 1273 CG1 VAL A 86 -1.184 -50.212 4.744 1.00 54.02 C ATOM 1274 CG2 VAL A 86 0.091 -50.424 2.598 1.00 2.34 C ATOM 0 H VAL A 86 1.579 -47.694 3.028 1.00 52.22 H new ATOM 0 HA VAL A 86 -1.340 -48.100 2.983 1.00 4.34 H new ATOM 0 HB VAL A 86 0.847 -49.650 4.434 1.00 15.12 H new ATOM 0 HG11 VAL A 86 -0.944 -51.251 4.970 1.00 54.02 H new ATOM 0 HG12 VAL A 86 -1.260 -49.647 5.673 1.00 54.02 H new ATOM 0 HG13 VAL A 86 -2.135 -50.167 4.213 1.00 54.02 H new ATOM 0 HG21 VAL A 86 0.314 -51.460 2.852 1.00 2.34 H new ATOM 0 HG22 VAL A 86 -0.826 -50.384 2.010 1.00 2.34 H new ATOM 0 HG23 VAL A 86 0.914 -50.008 2.016 1.00 2.34 H new ATOM 1284 N VAL A 87 -1.740 -46.805 5.056 1.00 11.13 N ATOM 1285 CA VAL A 87 -2.013 -46.030 6.261 1.00 72.30 C ATOM 1286 C VAL A 87 -1.788 -46.867 7.515 1.00 22.12 C ATOM 1287 O VAL A 87 -1.831 -48.096 7.470 1.00 52.30 O ATOM 1288 CB VAL A 87 -3.457 -45.494 6.268 1.00 41.42 C ATOM 1289 CG1 VAL A 87 -3.598 -44.329 5.300 1.00 13.30 C ATOM 1290 CG2 VAL A 87 -4.439 -46.604 5.926 1.00 52.20 C ATOM 0 H VAL A 87 -2.529 -46.877 4.413 1.00 11.13 H new ATOM 0 HA VAL A 87 -1.320 -45.188 6.260 1.00 72.30 H new ATOM 0 HB VAL A 87 -3.688 -45.133 7.270 1.00 41.42 H new ATOM 0 HG11 VAL A 87 -4.625 -43.963 5.318 1.00 13.30 H new ATOM 0 HG12 VAL A 87 -2.922 -43.527 5.595 1.00 13.30 H new ATOM 0 HG13 VAL A 87 -3.349 -44.661 4.292 1.00 13.30 H new ATOM 0 HG21 VAL A 87 -5.454 -46.207 5.936 1.00 52.20 H new ATOM 0 HG22 VAL A 87 -4.213 -46.998 4.935 1.00 52.20 H new ATOM 0 HG23 VAL A 87 -4.355 -47.404 6.662 1.00 52.20 H new ATOM 1300 N ASN A 88 -1.547 -46.192 8.635 1.00 72.42 N ATOM 1301 CA ASN A 88 -1.315 -46.874 9.903 1.00 43.00 C ATOM 1302 C ASN A 88 -1.884 -46.068 11.066 1.00 14.12 C ATOM 1303 O ASN A 88 -1.648 -44.865 11.176 1.00 4.43 O ATOM 1304 CB ASN A 88 0.183 -47.106 10.114 1.00 72.31 C ATOM 1305 CG ASN A 88 0.746 -48.148 9.166 1.00 54.41 C ATOM 1306 OD1 ASN A 88 0.095 -49.150 8.870 1.00 52.22 O ATOM 1307 ND2 ASN A 88 1.961 -47.914 8.685 1.00 22.31 N ATOM 0 H ASN A 88 -1.507 -45.174 8.690 1.00 72.42 H new ATOM 0 HA ASN A 88 -1.824 -47.837 9.868 1.00 43.00 H new ATOM 0 HB2 ASN A 88 0.717 -46.166 9.975 1.00 72.31 H new ATOM 0 HB3 ASN A 88 0.358 -47.422 11.142 1.00 72.31 H new ATOM 0 HD21 ASN A 88 2.392 -48.579 8.042 1.00 22.31 H new ATOM 0 HD22 ASN A 88 2.464 -47.070 8.958 1.00 22.31 H new ATOM 1314 N TYR A 89 -2.636 -46.739 11.932 1.00 64.11 N ATOM 1315 CA TYR A 89 -3.241 -46.086 13.086 1.00 1.52 C ATOM 1316 C TYR A 89 -2.867 -46.806 14.378 1.00 15.02 C ATOM 1317 O TYR A 89 -3.702 -47.426 15.037 1.00 33.30 O ATOM 1318 CB TYR A 89 -4.762 -46.042 12.935 1.00 74.43 C ATOM 1319 CG TYR A 89 -5.222 -45.611 11.560 1.00 10.24 C ATOM 1320 CD1 TYR A 89 -5.506 -44.278 11.288 1.00 4.03 C ATOM 1321 CD2 TYR A 89 -5.374 -46.535 10.535 1.00 63.44 C ATOM 1322 CE1 TYR A 89 -5.927 -43.879 10.034 1.00 5.14 C ATOM 1323 CE2 TYR A 89 -5.793 -46.145 9.277 1.00 24.14 C ATOM 1324 CZ TYR A 89 -6.068 -44.816 9.032 1.00 0.03 C ATOM 1325 OH TYR A 89 -6.487 -44.423 7.782 1.00 61.53 O ATOM 0 H TYR A 89 -2.841 -47.735 11.856 1.00 64.11 H new ATOM 0 HA TYR A 89 -2.858 -45.067 13.136 1.00 1.52 H new ATOM 0 HB2 TYR A 89 -5.169 -47.030 13.152 1.00 74.43 H new ATOM 0 HB3 TYR A 89 -5.173 -45.358 13.677 1.00 74.43 H new ATOM 0 HD1 TYR A 89 -5.396 -43.541 12.070 1.00 4.03 H new ATOM 0 HD2 TYR A 89 -5.161 -47.577 10.724 1.00 63.44 H new ATOM 0 HE1 TYR A 89 -6.144 -42.839 9.840 1.00 5.14 H new ATOM 0 HE2 TYR A 89 -5.904 -46.877 8.490 1.00 24.14 H new ATOM 0 HH TYR A 89 -6.194 -43.503 7.613 1.00 61.53 H new ATOM 1335 N PRO A 90 -1.582 -46.722 14.751 1.00 64.35 N ATOM 1336 CA PRO A 90 -1.067 -47.359 15.967 1.00 43.44 C ATOM 1337 C PRO A 90 -1.580 -46.685 17.235 1.00 64.21 C ATOM 1338 O PRO A 90 -2.463 -45.830 17.182 1.00 14.44 O ATOM 1339 CB PRO A 90 0.449 -47.184 15.844 1.00 41.42 C ATOM 1340 CG PRO A 90 0.623 -45.985 14.977 1.00 40.14 C ATOM 1341 CD PRO A 90 -0.532 -46.000 14.013 1.00 4.43 C ATOM 0 HA PRO A 90 -1.384 -48.399 16.049 1.00 43.44 H new ATOM 0 HB2 PRO A 90 0.911 -47.037 16.820 1.00 41.42 H new ATOM 0 HB3 PRO A 90 0.914 -48.064 15.400 1.00 41.42 H new ATOM 0 HG2 PRO A 90 0.624 -45.071 15.571 1.00 40.14 H new ATOM 0 HG3 PRO A 90 1.575 -46.022 14.447 1.00 40.14 H new ATOM 0 HD2 PRO A 90 -0.848 -44.991 13.749 1.00 4.43 H new ATOM 0 HD3 PRO A 90 -0.273 -46.507 13.083 1.00 4.43 H new ATOM 1349 N LYS A 91 -1.020 -47.076 18.375 1.00 65.03 N ATOM 1350 CA LYS A 91 -1.418 -46.509 19.658 1.00 74.35 C ATOM 1351 C LYS A 91 -0.998 -45.047 19.761 1.00 44.22 C ATOM 1352 O LYS A 91 -0.143 -44.582 19.006 1.00 73.22 O ATOM 1353 CB LYS A 91 -0.802 -47.311 20.806 1.00 2.22 C ATOM 1354 CG LYS A 91 -1.817 -48.114 21.601 1.00 62.11 C ATOM 1355 CD LYS A 91 -1.272 -48.509 22.963 1.00 21.32 C ATOM 1356 CE LYS A 91 -2.259 -49.378 23.728 1.00 50.13 C ATOM 1357 NZ LYS A 91 -1.955 -49.412 25.185 1.00 11.32 N ATOM 0 H LYS A 91 -0.288 -47.784 18.436 1.00 65.03 H new ATOM 0 HA LYS A 91 -2.504 -46.561 19.729 1.00 74.35 H new ATOM 0 HB2 LYS A 91 -0.051 -47.990 20.402 1.00 2.22 H new ATOM 0 HB3 LYS A 91 -0.285 -46.627 21.479 1.00 2.22 H new ATOM 0 HG2 LYS A 91 -2.727 -47.528 21.728 1.00 62.11 H new ATOM 0 HG3 LYS A 91 -2.091 -49.010 21.044 1.00 62.11 H new ATOM 0 HD2 LYS A 91 -0.333 -49.047 22.838 1.00 21.32 H new ATOM 0 HD3 LYS A 91 -1.051 -47.612 23.542 1.00 21.32 H new ATOM 0 HE2 LYS A 91 -3.270 -48.999 23.577 1.00 50.13 H new ATOM 0 HE3 LYS A 91 -2.236 -50.392 23.328 1.00 50.13 H new ATOM 0 HZ1 LYS A 91 -2.650 -50.014 25.671 1.00 11.32 H new ATOM 0 HZ2 LYS A 91 -1.000 -49.797 25.332 1.00 11.32 H new ATOM 0 HZ3 LYS A 91 -2.002 -48.448 25.572 1.00 11.32 H new ATOM 1371 N ASP A 92 -1.601 -44.327 20.700 1.00 33.20 N ATOM 1372 CA ASP A 92 -1.287 -42.918 20.904 1.00 50.24 C ATOM 1373 C ASP A 92 0.176 -42.739 21.298 1.00 53.41 C ATOM 1374 O ASP A 92 0.997 -42.302 20.492 1.00 33.24 O ATOM 1375 CB ASP A 92 -2.195 -42.321 21.980 1.00 31.10 C ATOM 1376 CG ASP A 92 -3.490 -41.778 21.409 1.00 50.50 C ATOM 1377 OD1 ASP A 92 -4.462 -42.554 21.297 1.00 63.31 O ATOM 1378 OD2 ASP A 92 -3.532 -40.575 21.075 1.00 71.20 O ATOM 0 H ASP A 92 -2.311 -44.696 21.333 1.00 33.20 H new ATOM 0 HA ASP A 92 -1.458 -42.393 19.964 1.00 50.24 H new ATOM 0 HB2 ASP A 92 -2.421 -43.084 22.725 1.00 31.10 H new ATOM 0 HB3 ASP A 92 -1.665 -41.520 22.495 1.00 31.10 H new ATOM 1383 N ASN A 93 0.493 -43.078 22.543 1.00 5.11 N ATOM 1384 CA ASN A 93 1.857 -42.953 23.045 1.00 41.11 C ATOM 1385 C ASN A 93 2.328 -41.503 22.985 1.00 11.13 C ATOM 1386 O ASN A 93 3.493 -41.228 22.700 1.00 45.14 O ATOM 1387 CB ASN A 93 2.804 -43.842 22.236 1.00 11.12 C ATOM 1388 CG ASN A 93 3.939 -44.394 23.077 1.00 14.34 C ATOM 1389 OD1 ASN A 93 4.031 -44.117 24.274 1.00 73.35 O ATOM 1390 ND2 ASN A 93 4.810 -45.178 22.454 1.00 73.51 N ATOM 0 H ASN A 93 -0.175 -43.441 23.223 1.00 5.11 H new ATOM 0 HA ASN A 93 1.866 -43.277 24.086 1.00 41.11 H new ATOM 0 HB2 ASN A 93 2.241 -44.669 21.803 1.00 11.12 H new ATOM 0 HB3 ASN A 93 3.216 -43.268 21.406 1.00 11.12 H new ATOM 0 HD21 ASN A 93 5.595 -45.578 22.968 1.00 73.51 H new ATOM 0 HD22 ASN A 93 4.695 -45.381 21.461 1.00 73.51 H new ATOM 1397 N LYS A 94 1.413 -40.578 23.258 1.00 65.15 N ATOM 1398 CA LYS A 94 1.734 -39.156 23.237 1.00 15.33 C ATOM 1399 C LYS A 94 1.896 -38.614 24.654 1.00 22.41 C ATOM 1400 O LYS A 94 1.527 -39.273 25.626 1.00 31.14 O ATOM 1401 CB LYS A 94 0.639 -38.376 22.505 1.00 63.14 C ATOM 1402 CG LYS A 94 1.151 -37.141 21.783 1.00 23.25 C ATOM 1403 CD LYS A 94 0.323 -36.834 20.547 1.00 10.12 C ATOM 1404 CE LYS A 94 -0.697 -35.739 20.818 1.00 53.20 C ATOM 1405 NZ LYS A 94 -1.306 -35.225 19.560 1.00 14.10 N ATOM 0 H LYS A 94 0.444 -40.788 23.496 1.00 65.15 H new ATOM 0 HA LYS A 94 2.678 -39.030 22.708 1.00 15.33 H new ATOM 0 HB2 LYS A 94 0.156 -39.035 21.783 1.00 63.14 H new ATOM 0 HB3 LYS A 94 -0.124 -38.076 23.223 1.00 63.14 H new ATOM 0 HG2 LYS A 94 1.127 -36.287 22.460 1.00 23.25 H new ATOM 0 HG3 LYS A 94 2.192 -37.291 21.497 1.00 23.25 H new ATOM 0 HD2 LYS A 94 0.981 -36.527 19.734 1.00 10.12 H new ATOM 0 HD3 LYS A 94 -0.190 -37.738 20.218 1.00 10.12 H new ATOM 0 HE2 LYS A 94 -1.481 -36.126 21.469 1.00 53.20 H new ATOM 0 HE3 LYS A 94 -0.216 -34.918 21.350 1.00 53.20 H new ATOM 0 HZ1 LYS A 94 -1.996 -34.480 19.787 1.00 14.10 H new ATOM 0 HZ2 LYS A 94 -0.561 -34.833 18.949 1.00 14.10 H new ATOM 0 HZ3 LYS A 94 -1.787 -36.003 19.064 1.00 14.10 H new ATOM 1419 N ARG A 95 2.450 -37.411 24.763 1.00 74.00 N ATOM 1420 CA ARG A 95 2.660 -36.782 26.061 1.00 4.30 C ATOM 1421 C ARG A 95 3.265 -35.390 25.899 1.00 55.12 C ATOM 1422 O ARG A 95 2.750 -34.411 26.440 1.00 50.24 O ATOM 1423 CB ARG A 95 3.575 -37.648 26.929 1.00 33.12 C ATOM 1424 CG ARG A 95 3.120 -37.754 28.376 1.00 50.13 C ATOM 1425 CD ARG A 95 4.296 -37.972 29.315 1.00 71.32 C ATOM 1426 NE ARG A 95 4.619 -39.388 29.467 1.00 62.30 N ATOM 1427 CZ ARG A 95 3.902 -40.231 30.202 1.00 1.00 C ATOM 1428 NH1 ARG A 95 2.827 -39.802 30.848 1.00 34.31 N ATOM 1429 NH2 ARG A 95 4.260 -41.506 30.291 1.00 2.54 N ATOM 0 H ARG A 95 2.761 -36.853 23.968 1.00 74.00 H new ATOM 0 HA ARG A 95 1.691 -36.684 26.550 1.00 4.30 H new ATOM 0 HB2 ARG A 95 3.629 -38.648 26.500 1.00 33.12 H new ATOM 0 HB3 ARG A 95 4.584 -37.235 26.903 1.00 33.12 H new ATOM 0 HG2 ARG A 95 2.590 -36.845 28.660 1.00 50.13 H new ATOM 0 HG3 ARG A 95 2.414 -38.579 28.477 1.00 50.13 H new ATOM 0 HD2 ARG A 95 5.168 -37.440 28.934 1.00 71.32 H new ATOM 0 HD3 ARG A 95 4.064 -37.546 30.291 1.00 71.32 H new ATOM 0 HE ARG A 95 5.440 -39.750 28.982 1.00 62.30 H new ATOM 0 HH11 ARG A 95 2.549 -38.823 30.781 1.00 34.31 H new ATOM 0 HH12 ARG A 95 2.278 -40.451 31.412 1.00 34.31 H new ATOM 0 HH21 ARG A 95 5.086 -41.840 29.795 1.00 2.54 H new ATOM 0 HH22 ARG A 95 3.709 -42.152 30.856 1.00 2.54 H new ATOM 1443 N LYS A 96 4.360 -35.310 25.151 1.00 52.51 N ATOM 1444 CA LYS A 96 5.035 -34.039 24.916 1.00 52.32 C ATOM 1445 C LYS A 96 4.255 -33.184 23.921 1.00 24.40 C ATOM 1446 O LYS A 96 3.343 -33.670 23.253 1.00 33.05 O ATOM 1447 CB LYS A 96 6.454 -34.280 24.395 1.00 14.23 C ATOM 1448 CG LYS A 96 7.405 -34.817 25.450 1.00 22.31 C ATOM 1449 CD LYS A 96 7.992 -33.698 26.294 1.00 62.12 C ATOM 1450 CE LYS A 96 9.243 -33.115 25.654 1.00 53.12 C ATOM 1451 NZ LYS A 96 9.688 -31.871 26.340 1.00 4.14 N ATOM 0 H LYS A 96 4.799 -36.111 24.697 1.00 52.51 H new ATOM 0 HA LYS A 96 5.089 -33.504 25.864 1.00 52.32 H new ATOM 0 HB2 LYS A 96 6.412 -34.983 23.563 1.00 14.23 H new ATOM 0 HB3 LYS A 96 6.852 -33.344 24.002 1.00 14.23 H new ATOM 0 HG2 LYS A 96 6.876 -35.520 26.094 1.00 22.31 H new ATOM 0 HG3 LYS A 96 8.210 -35.370 24.967 1.00 22.31 H new ATOM 0 HD2 LYS A 96 7.249 -32.912 26.425 1.00 62.12 H new ATOM 0 HD3 LYS A 96 8.233 -34.078 27.287 1.00 62.12 H new ATOM 0 HE2 LYS A 96 10.044 -33.853 25.685 1.00 53.12 H new ATOM 0 HE3 LYS A 96 9.047 -32.900 24.603 1.00 53.12 H new ATOM 0 HZ1 LYS A 96 10.543 -31.505 25.874 1.00 4.14 H new ATOM 0 HZ2 LYS A 96 8.933 -31.157 26.289 1.00 4.14 H new ATOM 0 HZ3 LYS A 96 9.899 -32.081 27.336 1.00 4.14 H new ATOM 1465 N MET A 97 4.623 -31.911 23.827 1.00 54.33 N ATOM 1466 CA MET A 97 3.959 -30.990 22.911 1.00 72.22 C ATOM 1467 C MET A 97 4.980 -30.203 22.096 1.00 3.23 C ATOM 1468 O MET A 97 5.006 -30.286 20.868 1.00 13.32 O ATOM 1469 CB MET A 97 3.056 -30.028 23.686 1.00 62.33 C ATOM 1470 CG MET A 97 1.742 -30.651 24.128 1.00 23.34 C ATOM 1471 SD MET A 97 1.635 -30.848 25.917 1.00 30.45 S ATOM 1472 CE MET A 97 -0.105 -30.521 26.190 1.00 4.25 C ATOM 0 H MET A 97 5.377 -31.493 24.373 1.00 54.33 H new ATOM 0 HA MET A 97 3.348 -31.577 22.225 1.00 72.22 H new ATOM 0 HB2 MET A 97 3.592 -29.668 24.564 1.00 62.33 H new ATOM 0 HB3 MET A 97 2.845 -29.159 23.063 1.00 62.33 H new ATOM 0 HG2 MET A 97 0.916 -30.029 23.785 1.00 23.34 H new ATOM 0 HG3 MET A 97 1.627 -31.625 23.651 1.00 23.34 H new ATOM 0 HE1 MET A 97 -0.329 -30.605 27.254 1.00 4.25 H new ATOM 0 HE2 MET A 97 -0.344 -29.514 25.847 1.00 4.25 H new ATOM 0 HE3 MET A 97 -0.703 -31.245 25.635 1.00 4.25 H new ATOM 1482 N ASP A 98 5.820 -29.440 22.787 1.00 12.33 N ATOM 1483 CA ASP A 98 6.844 -28.638 22.128 1.00 52.13 C ATOM 1484 C ASP A 98 6.212 -27.609 21.196 1.00 53.12 C ATOM 1485 O ASP A 98 5.910 -27.907 20.041 1.00 43.14 O ATOM 1486 CB ASP A 98 7.799 -29.538 21.342 1.00 54.25 C ATOM 1487 CG ASP A 98 9.196 -28.958 21.249 1.00 42.25 C ATOM 1488 OD1 ASP A 98 10.142 -29.606 21.744 1.00 41.22 O ATOM 1489 OD2 ASP A 98 9.344 -27.856 20.680 1.00 62.23 O ATOM 0 H ASP A 98 5.812 -29.360 23.804 1.00 12.33 H new ATOM 0 HA ASP A 98 7.406 -28.108 22.897 1.00 52.13 H new ATOM 0 HB2 ASP A 98 7.846 -30.517 21.819 1.00 54.25 H new ATOM 0 HB3 ASP A 98 7.405 -29.692 20.337 1.00 54.25 H new ATOM 1494 N GLU A 99 6.013 -26.398 21.707 1.00 1.10 N ATOM 1495 CA GLU A 99 5.415 -25.326 20.920 1.00 12.12 C ATOM 1496 C GLU A 99 6.469 -24.307 20.499 1.00 43.44 C ATOM 1497 O GLU A 99 7.648 -24.441 20.830 1.00 33.21 O ATOM 1498 CB GLU A 99 4.310 -24.632 21.719 1.00 32.15 C ATOM 1499 CG GLU A 99 3.026 -25.439 21.810 1.00 33.31 C ATOM 1500 CD GLU A 99 2.792 -26.010 23.195 1.00 21.43 C ATOM 1501 OE1 GLU A 99 1.704 -25.771 23.759 1.00 35.20 O ATOM 1502 OE2 GLU A 99 3.697 -26.696 23.716 1.00 40.44 O ATOM 0 H GLU A 99 6.257 -26.135 22.662 1.00 1.10 H new ATOM 0 HA GLU A 99 4.982 -25.767 20.022 1.00 12.12 H new ATOM 0 HB2 GLU A 99 4.674 -24.430 22.726 1.00 32.15 H new ATOM 0 HB3 GLU A 99 4.092 -23.668 21.259 1.00 32.15 H new ATOM 0 HG2 GLU A 99 2.183 -24.805 21.535 1.00 33.31 H new ATOM 0 HG3 GLU A 99 3.061 -26.254 21.087 1.00 33.31 H new ATOM 1509 N THR A 100 6.037 -23.286 19.764 1.00 2.04 N ATOM 1510 CA THR A 100 6.943 -22.245 19.295 1.00 15.44 C ATOM 1511 C THR A 100 6.186 -20.958 18.983 1.00 62.40 C ATOM 1512 O THR A 100 4.964 -20.965 18.840 1.00 75.35 O ATOM 1513 CB THR A 100 7.711 -22.693 18.038 1.00 5.13 C ATOM 1514 OG1 THR A 100 8.729 -21.737 17.719 1.00 13.13 O ATOM 1515 CG2 THR A 100 6.769 -22.852 16.855 1.00 14.51 C ATOM 0 H THR A 100 5.065 -23.158 19.481 1.00 2.04 H new ATOM 0 HA THR A 100 7.655 -22.059 20.099 1.00 15.44 H new ATOM 0 HB THR A 100 8.172 -23.658 18.246 1.00 5.13 H new ATOM 0 HG1 THR A 100 9.214 -22.030 16.919 1.00 13.13 H new ATOM 0 HG21 THR A 100 7.335 -23.169 15.979 1.00 14.51 H new ATOM 0 HG22 THR A 100 6.014 -23.602 17.090 1.00 14.51 H new ATOM 0 HG23 THR A 100 6.282 -21.899 16.647 1.00 14.51 H new ATOM 1523 N ASP A 101 6.921 -19.856 18.878 1.00 33.51 N ATOM 1524 CA ASP A 101 6.319 -18.562 18.580 1.00 12.14 C ATOM 1525 C ASP A 101 7.391 -17.526 18.256 1.00 73.12 C ATOM 1526 O ASP A 101 8.563 -17.862 18.090 1.00 31.45 O ATOM 1527 CB ASP A 101 5.473 -18.085 19.762 1.00 75.32 C ATOM 1528 CG ASP A 101 4.057 -17.726 19.353 1.00 64.52 C ATOM 1529 OD1 ASP A 101 3.838 -16.575 18.922 1.00 51.11 O ATOM 1530 OD2 ASP A 101 3.170 -18.597 19.463 1.00 74.51 O ATOM 0 H ASP A 101 7.934 -19.833 18.995 1.00 33.51 H new ATOM 0 HA ASP A 101 5.677 -18.680 17.707 1.00 12.14 H new ATOM 0 HB2 ASP A 101 5.442 -18.866 20.521 1.00 75.32 H new ATOM 0 HB3 ASP A 101 5.948 -17.216 20.218 1.00 75.32 H new ATOM 1535 N ALA A 102 6.980 -16.265 18.165 1.00 31.51 N ATOM 1536 CA ALA A 102 7.905 -15.181 17.861 1.00 12.42 C ATOM 1537 C ALA A 102 8.507 -15.346 16.470 1.00 24.42 C ATOM 1538 O ALA A 102 9.368 -16.199 16.254 1.00 61.41 O ATOM 1539 CB ALA A 102 9.005 -15.115 18.911 1.00 75.24 C ATOM 0 H ALA A 102 6.013 -15.970 18.298 1.00 31.51 H new ATOM 0 HA ALA A 102 7.346 -14.245 17.877 1.00 12.42 H new ATOM 0 HB1 ALA A 102 9.689 -14.301 18.671 1.00 75.24 H new ATOM 0 HB2 ALA A 102 8.562 -14.940 19.891 1.00 75.24 H new ATOM 0 HB3 ALA A 102 9.553 -16.057 18.923 1.00 75.24 H new ATOM 1545 N SER A 103 8.049 -14.526 15.530 1.00 21.12 N ATOM 1546 CA SER A 103 8.540 -14.585 14.158 1.00 21.24 C ATOM 1547 C SER A 103 8.036 -13.394 13.349 1.00 22.02 C ATOM 1548 O SER A 103 7.005 -13.475 12.681 1.00 4.33 O ATOM 1549 CB SER A 103 8.101 -15.891 13.493 1.00 53.21 C ATOM 1550 OG SER A 103 9.020 -16.286 12.489 1.00 33.23 O ATOM 0 H SER A 103 7.338 -13.813 15.693 1.00 21.12 H new ATOM 0 HA SER A 103 9.629 -14.548 14.186 1.00 21.24 H new ATOM 0 HB2 SER A 103 8.019 -16.676 14.245 1.00 53.21 H new ATOM 0 HB3 SER A 103 7.111 -15.765 13.055 1.00 53.21 H new ATOM 0 HG SER A 103 8.718 -17.124 12.080 1.00 33.23 H new ATOM 1556 N SER A 104 8.771 -12.289 13.415 1.00 44.43 N ATOM 1557 CA SER A 104 8.398 -11.078 12.692 1.00 63.42 C ATOM 1558 C SER A 104 9.442 -9.984 12.890 1.00 1.40 C ATOM 1559 O SER A 104 9.889 -9.732 14.009 1.00 70.13 O ATOM 1560 CB SER A 104 7.028 -10.583 13.158 1.00 50.32 C ATOM 1561 OG SER A 104 6.260 -10.107 12.066 1.00 35.03 O ATOM 0 H SER A 104 9.628 -12.207 13.962 1.00 44.43 H new ATOM 0 HA SER A 104 8.347 -11.319 11.630 1.00 63.42 H new ATOM 0 HB2 SER A 104 6.495 -11.393 13.656 1.00 50.32 H new ATOM 0 HB3 SER A 104 7.155 -9.787 13.892 1.00 50.32 H new ATOM 0 HG SER A 104 5.388 -9.798 12.389 1.00 35.03 H new ATOM 1567 N ALA A 105 9.826 -9.336 11.795 1.00 1.30 N ATOM 1568 CA ALA A 105 10.815 -8.267 11.847 1.00 5.44 C ATOM 1569 C ALA A 105 11.012 -7.633 10.474 1.00 23.03 C ATOM 1570 O ALA A 105 10.733 -8.252 9.448 1.00 71.52 O ATOM 1571 CB ALA A 105 12.138 -8.797 12.381 1.00 61.14 C ATOM 0 H ALA A 105 9.467 -9.533 10.861 1.00 1.30 H new ATOM 0 HA ALA A 105 10.445 -7.497 12.524 1.00 5.44 H new ATOM 0 HB1 ALA A 105 12.867 -7.988 12.414 1.00 61.14 H new ATOM 0 HB2 ALA A 105 11.992 -9.195 13.385 1.00 61.14 H new ATOM 0 HB3 ALA A 105 12.504 -9.588 11.727 1.00 61.14 H new ATOM 1577 N VAL A 106 11.495 -6.394 10.463 1.00 74.42 N ATOM 1578 CA VAL A 106 11.729 -5.677 9.215 1.00 2.14 C ATOM 1579 C VAL A 106 12.917 -4.729 9.342 1.00 55.14 C ATOM 1580 O VAL A 106 13.078 -4.050 10.356 1.00 41.43 O ATOM 1581 CB VAL A 106 10.487 -4.872 8.789 1.00 61.45 C ATOM 1582 CG1 VAL A 106 9.359 -5.808 8.380 1.00 2.25 C ATOM 1583 CG2 VAL A 106 10.043 -3.945 9.909 1.00 15.13 C ATOM 0 H VAL A 106 11.732 -5.867 11.303 1.00 74.42 H new ATOM 0 HA VAL A 106 11.945 -6.427 8.454 1.00 2.14 H new ATOM 0 HB VAL A 106 10.750 -4.260 7.926 1.00 61.45 H new ATOM 0 HG11 VAL A 106 8.490 -5.222 8.082 1.00 2.25 H new ATOM 0 HG12 VAL A 106 9.684 -6.426 7.543 1.00 2.25 H new ATOM 0 HG13 VAL A 106 9.094 -6.448 9.222 1.00 2.25 H new ATOM 0 HG21 VAL A 106 9.164 -3.384 9.590 1.00 15.13 H new ATOM 0 HG22 VAL A 106 9.797 -4.534 10.793 1.00 15.13 H new ATOM 0 HG23 VAL A 106 10.849 -3.251 10.148 1.00 15.13 H new ATOM 1593 N LYS A 107 13.746 -4.687 8.305 1.00 70.25 N ATOM 1594 CA LYS A 107 14.919 -3.821 8.297 1.00 70.13 C ATOM 1595 C LYS A 107 15.591 -3.828 6.927 1.00 2.15 C ATOM 1596 O LYS A 107 15.896 -4.887 6.380 1.00 63.42 O ATOM 1597 CB LYS A 107 15.916 -4.268 9.368 1.00 32.52 C ATOM 1598 CG LYS A 107 16.724 -3.127 9.962 1.00 71.44 C ATOM 1599 CD LYS A 107 16.344 -2.869 11.410 1.00 70.20 C ATOM 1600 CE LYS A 107 16.454 -1.393 11.760 1.00 32.24 C ATOM 1601 NZ LYS A 107 15.763 -1.074 13.040 1.00 32.13 N ATOM 0 H LYS A 107 13.627 -5.243 7.458 1.00 70.25 H new ATOM 0 HA LYS A 107 14.591 -2.805 8.516 1.00 70.13 H new ATOM 0 HB2 LYS A 107 15.375 -4.773 10.168 1.00 32.52 H new ATOM 0 HB3 LYS A 107 16.599 -4.998 8.934 1.00 32.52 H new ATOM 0 HG2 LYS A 107 17.787 -3.362 9.900 1.00 71.44 H new ATOM 0 HG3 LYS A 107 16.563 -2.222 9.376 1.00 71.44 H new ATOM 0 HD2 LYS A 107 15.324 -3.211 11.586 1.00 70.20 H new ATOM 0 HD3 LYS A 107 16.993 -3.449 12.066 1.00 70.20 H new ATOM 0 HE2 LYS A 107 17.505 -1.115 11.836 1.00 32.24 H new ATOM 0 HE3 LYS A 107 16.023 -0.796 10.956 1.00 32.24 H new ATOM 0 HZ1 LYS A 107 15.861 -0.059 13.244 1.00 32.13 H new ATOM 0 HZ2 LYS A 107 14.755 -1.316 12.960 1.00 32.13 H new ATOM 0 HZ3 LYS A 107 16.190 -1.625 13.812 1.00 32.13 H new ATOM 1615 N VAL A 108 15.821 -2.639 6.380 1.00 53.50 N ATOM 1616 CA VAL A 108 16.459 -2.508 5.076 1.00 44.31 C ATOM 1617 C VAL A 108 17.227 -1.195 4.969 1.00 55.51 C ATOM 1618 O VAL A 108 16.834 -0.184 5.552 1.00 52.31 O ATOM 1619 CB VAL A 108 15.427 -2.581 3.935 1.00 12.33 C ATOM 1620 CG1 VAL A 108 14.862 -3.988 3.816 1.00 53.23 C ATOM 1621 CG2 VAL A 108 14.314 -1.568 4.159 1.00 42.31 C ATOM 0 H VAL A 108 15.575 -1.752 6.820 1.00 53.50 H new ATOM 0 HA VAL A 108 17.155 -3.342 4.980 1.00 44.31 H new ATOM 0 HB VAL A 108 15.928 -2.336 2.998 1.00 12.33 H new ATOM 0 HG11 VAL A 108 14.135 -4.021 3.005 1.00 53.23 H new ATOM 0 HG12 VAL A 108 15.671 -4.688 3.607 1.00 53.23 H new ATOM 0 HG13 VAL A 108 14.375 -4.265 4.751 1.00 53.23 H new ATOM 0 HG21 VAL A 108 13.593 -1.633 3.344 1.00 42.31 H new ATOM 0 HG22 VAL A 108 13.813 -1.780 5.104 1.00 42.31 H new ATOM 0 HG23 VAL A 108 14.737 -0.564 4.190 1.00 42.31 H new ATOM 1631 N LYS A 109 18.323 -1.216 4.219 1.00 4.14 N ATOM 1632 CA LYS A 109 19.147 -0.027 4.033 1.00 14.00 C ATOM 1633 C LYS A 109 20.061 -0.183 2.822 1.00 2.23 C ATOM 1634 O LYS A 109 20.691 -1.224 2.638 1.00 21.54 O ATOM 1635 CB LYS A 109 19.983 0.241 5.286 1.00 21.23 C ATOM 1636 CG LYS A 109 20.608 1.625 5.316 1.00 13.03 C ATOM 1637 CD LYS A 109 22.019 1.588 5.879 1.00 72.01 C ATOM 1638 CE LYS A 109 22.584 2.989 6.060 1.00 73.45 C ATOM 1639 NZ LYS A 109 22.982 3.598 4.760 1.00 21.24 N ATOM 0 H LYS A 109 18.662 -2.044 3.729 1.00 4.14 H new ATOM 0 HA LYS A 109 18.484 0.820 3.859 1.00 14.00 H new ATOM 0 HB2 LYS A 109 19.353 0.117 6.166 1.00 21.23 H new ATOM 0 HB3 LYS A 109 20.773 -0.507 5.352 1.00 21.23 H new ATOM 0 HG2 LYS A 109 20.629 2.038 4.307 1.00 13.03 H new ATOM 0 HG3 LYS A 109 19.992 2.291 5.920 1.00 13.03 H new ATOM 0 HD2 LYS A 109 22.016 1.069 6.838 1.00 72.01 H new ATOM 0 HD3 LYS A 109 22.664 1.018 5.210 1.00 72.01 H new ATOM 0 HE2 LYS A 109 21.840 3.621 6.545 1.00 73.45 H new ATOM 0 HE3 LYS A 109 23.449 2.949 6.723 1.00 73.45 H new ATOM 0 HZ1 LYS A 109 24.018 3.680 4.718 1.00 21.24 H new ATOM 0 HZ2 LYS A 109 22.650 2.997 3.979 1.00 21.24 H new ATOM 0 HZ3 LYS A 109 22.556 4.543 4.675 1.00 21.24 H new ATOM 1653 N ARG A 110 20.130 0.859 2.001 1.00 43.55 N ATOM 1654 CA ARG A 110 20.968 0.838 0.808 1.00 63.22 C ATOM 1655 C ARG A 110 22.215 1.695 1.004 1.00 41.43 C ATOM 1656 O ARG A 110 22.369 2.360 2.028 1.00 54.12 O ATOM 1657 CB ARG A 110 20.179 1.335 -0.405 1.00 5.21 C ATOM 1658 CG ARG A 110 19.852 0.242 -1.409 1.00 23.12 C ATOM 1659 CD ARG A 110 20.984 0.043 -2.405 1.00 0.32 C ATOM 1660 NE ARG A 110 20.510 -0.519 -3.667 1.00 23.24 N ATOM 1661 CZ ARG A 110 21.308 -0.806 -4.689 1.00 44.41 C ATOM 1662 NH1 ARG A 110 22.612 -0.584 -4.599 1.00 5.10 N ATOM 1663 NH2 ARG A 110 20.802 -1.315 -5.805 1.00 23.52 N ATOM 0 H ARG A 110 19.616 1.729 2.140 1.00 43.55 H new ATOM 0 HA ARG A 110 21.280 -0.191 0.632 1.00 63.22 H new ATOM 0 HB2 ARG A 110 19.250 1.791 -0.062 1.00 5.21 H new ATOM 0 HB3 ARG A 110 20.752 2.116 -0.905 1.00 5.21 H new ATOM 0 HG2 ARG A 110 19.662 -0.693 -0.882 1.00 23.12 H new ATOM 0 HG3 ARG A 110 18.937 0.499 -1.943 1.00 23.12 H new ATOM 0 HD2 ARG A 110 21.472 0.999 -2.595 1.00 0.32 H new ATOM 0 HD3 ARG A 110 21.735 -0.618 -1.973 1.00 0.32 H new ATOM 0 HE ARG A 110 19.512 -0.701 -3.769 1.00 23.24 H new ATOM 0 HH11 ARG A 110 23.005 -0.192 -3.743 1.00 5.10 H new ATOM 0 HH12 ARG A 110 23.223 -0.805 -5.386 1.00 5.10 H new ATOM 0 HH21 ARG A 110 19.799 -1.486 -5.879 1.00 23.52 H new ATOM 0 HH22 ARG A 110 21.416 -1.535 -6.589 1.00 23.52 H new ATOM 1677 N ALA A 111 23.103 1.675 0.015 1.00 73.52 N ATOM 1678 CA ALA A 111 24.335 2.451 0.078 1.00 72.14 C ATOM 1679 C ALA A 111 24.764 2.913 -1.311 1.00 11.02 C ATOM 1680 O ALA A 111 24.923 2.103 -2.224 1.00 55.13 O ATOM 1681 CB ALA A 111 25.441 1.634 0.729 1.00 13.03 C ATOM 0 H ALA A 111 22.992 1.129 -0.840 1.00 73.52 H new ATOM 0 HA ALA A 111 24.147 3.336 0.685 1.00 72.14 H new ATOM 0 HB1 ALA A 111 26.355 2.226 0.769 1.00 13.03 H new ATOM 0 HB2 ALA A 111 25.142 1.358 1.740 1.00 13.03 H new ATOM 0 HB3 ALA A 111 25.619 0.731 0.144 1.00 13.03 H new ATOM 1687 N VAL A 112 24.950 4.220 -1.463 1.00 52.42 N ATOM 1688 CA VAL A 112 25.361 4.790 -2.741 1.00 10.44 C ATOM 1689 C VAL A 112 26.860 5.066 -2.762 1.00 42.31 C ATOM 1690 O VAL A 112 27.429 5.534 -1.776 1.00 32.31 O ATOM 1691 CB VAL A 112 24.605 6.098 -3.041 1.00 0.30 C ATOM 1692 CG1 VAL A 112 23.103 5.861 -3.030 1.00 15.51 C ATOM 1693 CG2 VAL A 112 24.990 7.178 -2.041 1.00 23.44 C ATOM 0 H VAL A 112 24.823 4.904 -0.717 1.00 52.42 H new ATOM 0 HA VAL A 112 25.119 4.055 -3.509 1.00 10.44 H new ATOM 0 HB VAL A 112 24.888 6.440 -4.037 1.00 0.30 H new ATOM 0 HG11 VAL A 112 22.586 6.796 -3.244 1.00 15.51 H new ATOM 0 HG12 VAL A 112 22.846 5.122 -3.789 1.00 15.51 H new ATOM 0 HG13 VAL A 112 22.800 5.495 -2.049 1.00 15.51 H new ATOM 0 HG21 VAL A 112 24.446 8.095 -2.268 1.00 23.44 H new ATOM 0 HG22 VAL A 112 24.738 6.847 -1.033 1.00 23.44 H new ATOM 0 HG23 VAL A 112 26.062 7.367 -2.104 1.00 23.44 H new ATOM 1703 N GLN A 113 27.494 4.774 -3.893 1.00 51.13 N ATOM 1704 CA GLN A 113 28.928 4.991 -4.043 1.00 20.12 C ATOM 1705 C GLN A 113 29.326 5.006 -5.515 1.00 54.21 C ATOM 1706 O GLN A 113 28.740 4.298 -6.335 1.00 2.40 O ATOM 1707 CB GLN A 113 29.709 3.904 -3.303 1.00 24.04 C ATOM 1708 CG GLN A 113 29.246 2.493 -3.627 1.00 54.23 C ATOM 1709 CD GLN A 113 30.051 1.433 -2.903 1.00 30.24 C ATOM 1710 OE1 GLN A 113 31.268 1.552 -2.758 1.00 61.35 O ATOM 1711 NE2 GLN A 113 29.374 0.387 -2.441 1.00 44.44 N ATOM 0 H GLN A 113 27.037 4.387 -4.719 1.00 51.13 H new ATOM 0 HA GLN A 113 29.170 5.962 -3.610 1.00 20.12 H new ATOM 0 HB2 GLN A 113 30.766 3.996 -3.551 1.00 24.04 H new ATOM 0 HB3 GLN A 113 29.617 4.070 -2.230 1.00 24.04 H new ATOM 0 HG2 GLN A 113 28.194 2.390 -3.360 1.00 54.23 H new ATOM 0 HG3 GLN A 113 29.320 2.329 -4.702 1.00 54.23 H new ATOM 0 HE21 GLN A 113 28.366 0.329 -2.583 1.00 44.44 H new ATOM 0 HE22 GLN A 113 29.863 -0.358 -1.944 1.00 44.44 H new ATOM 1720 N LYS A 114 30.325 5.818 -5.845 1.00 34.14 N ATOM 1721 CA LYS A 114 30.802 5.926 -7.218 1.00 23.20 C ATOM 1722 C LYS A 114 31.986 4.995 -7.457 1.00 25.51 C ATOM 1723 O LYS A 114 31.834 3.915 -8.029 1.00 61.00 O ATOM 1724 CB LYS A 114 31.205 7.369 -7.528 1.00 14.51 C ATOM 1725 CG LYS A 114 31.572 7.599 -8.983 1.00 45.35 C ATOM 1726 CD LYS A 114 32.385 8.871 -9.159 1.00 53.33 C ATOM 1727 CE LYS A 114 33.450 8.708 -10.233 1.00 1.54 C ATOM 1728 NZ LYS A 114 34.636 9.570 -9.972 1.00 42.41 N ATOM 0 H LYS A 114 30.820 6.411 -5.179 1.00 34.14 H new ATOM 0 HA LYS A 114 29.990 5.631 -7.882 1.00 23.20 H new ATOM 0 HB2 LYS A 114 30.383 8.032 -7.260 1.00 14.51 H new ATOM 0 HB3 LYS A 114 32.053 7.643 -6.900 1.00 14.51 H new ATOM 0 HG2 LYS A 114 32.142 6.747 -9.354 1.00 45.35 H new ATOM 0 HG3 LYS A 114 30.664 7.661 -9.583 1.00 45.35 H new ATOM 0 HD2 LYS A 114 31.722 9.694 -9.425 1.00 53.33 H new ATOM 0 HD3 LYS A 114 32.858 9.136 -8.213 1.00 53.33 H new ATOM 0 HE2 LYS A 114 33.762 7.665 -10.280 1.00 1.54 H new ATOM 0 HE3 LYS A 114 33.026 8.958 -11.206 1.00 1.54 H new ATOM 0 HZ1 LYS A 114 35.339 9.431 -10.726 1.00 42.41 H new ATOM 0 HZ2 LYS A 114 34.343 10.568 -9.953 1.00 42.41 H new ATOM 0 HZ3 LYS A 114 35.056 9.315 -9.055 1.00 42.41 H new TER 1742 LYS A 114