USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 883 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 GLY N :NH3+ -169:sc= -0.0398 (180deg=-0.127) USER MOD Single : A 2 SER OG : rot 140:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -125:sc= -0.789 (180deg=-4.56!) USER MOD Single : A 14 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.9) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 25 ASN : amide:sc= 1.2 K(o=1.2,f=-0.03) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 83:sc= 0.0777 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.098) USER MOD Single : A 43 THR OG1 : rot -73:sc= 1.12 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 54 SER OG : rot 88:sc= 1.12 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= 1 F(o=-0.1,f=1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 0.0175 (180deg=-0.109) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -127:sc= -0.714 (180deg=-0.995) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.5!) USER MOD Single : A 78 SER OG : rot 180:sc= -1.84! USER MOD Single : A 80 SER OG : rot -170:sc= 0 USER MOD Single : A 84 MET CE :methyl -179:sc= -0.748 (180deg=-0.771) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 27:sc= 0.472 USER MOD Single : A 94 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.044) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.923 K(o=-0.92,f=-2!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.59) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -31:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.732 -12.769 5.773 1.00 0.00 N ATOM 2 CA GLY A 1 -16.471 -14.061 5.813 1.00 0.00 C ATOM 3 C GLY A 1 -17.453 -14.204 4.667 1.00 0.00 C ATOM 4 O GLY A 1 -17.759 -15.316 4.238 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.949 -12.795 6.458 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.351 -12.616 4.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.379 -11.992 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.758 -14.885 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.007 -14.140 6.759 1.00 0.00 H new ATOM 10 N SER A 2 -17.946 -13.075 4.169 1.00 0.00 N ATOM 11 CA SER A 2 -18.899 -13.080 3.065 1.00 0.00 C ATOM 12 C SER A 2 -18.642 -11.910 2.120 1.00 0.00 C ATOM 13 O SER A 2 -17.617 -11.235 2.217 1.00 0.00 O ATOM 14 CB SER A 2 -20.331 -13.011 3.600 1.00 0.00 C ATOM 15 OG SER A 2 -21.204 -13.814 2.825 1.00 0.00 O ATOM 0 H SER A 2 -17.702 -12.146 4.512 1.00 0.00 H new ATOM 0 HA SER A 2 -18.769 -14.009 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.351 -13.343 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.677 -11.977 3.590 1.00 0.00 H new ATOM 0 HG SER A 2 -21.836 -14.275 3.416 1.00 0.00 H new ATOM 21 N SER A 3 -19.577 -11.678 1.204 1.00 0.00 N ATOM 22 CA SER A 3 -19.450 -10.590 0.241 1.00 0.00 C ATOM 23 C SER A 3 -20.757 -9.814 0.122 1.00 0.00 C ATOM 24 O SER A 3 -20.788 -8.598 0.309 1.00 0.00 O ATOM 25 CB SER A 3 -19.042 -11.137 -1.127 1.00 0.00 C ATOM 26 OG SER A 3 -17.771 -11.762 -1.069 1.00 0.00 O ATOM 0 H SER A 3 -20.430 -12.229 1.108 1.00 0.00 H new ATOM 0 HA SER A 3 -18.676 -9.911 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.787 -11.853 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.019 -10.325 -1.854 1.00 0.00 H new ATOM 0 HG SER A 3 -17.534 -12.105 -1.956 1.00 0.00 H new ATOM 32 N GLY A 4 -21.836 -10.526 -0.190 1.00 0.00 N ATOM 33 CA GLY A 4 -23.131 -9.887 -0.328 1.00 0.00 C ATOM 34 C GLY A 4 -23.917 -9.880 0.968 1.00 0.00 C ATOM 35 O GLY A 4 -24.520 -8.869 1.331 1.00 0.00 O ATOM 0 H GLY A 4 -21.836 -11.533 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.992 -8.861 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.707 -10.403 -1.096 1.00 0.00 H new ATOM 39 N SER A 5 -23.910 -11.010 1.668 1.00 0.00 N ATOM 40 CA SER A 5 -24.628 -11.129 2.932 1.00 0.00 C ATOM 41 C SER A 5 -24.024 -10.211 3.990 1.00 0.00 C ATOM 42 O SER A 5 -24.584 -9.162 4.308 1.00 0.00 O ATOM 43 CB SER A 5 -24.602 -12.579 3.422 1.00 0.00 C ATOM 44 OG SER A 5 -25.738 -13.292 2.966 1.00 0.00 O ATOM 0 H SER A 5 -23.416 -11.855 1.382 1.00 0.00 H new ATOM 0 HA SER A 5 -25.662 -10.828 2.764 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.695 -13.069 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.570 -12.597 4.511 1.00 0.00 H new ATOM 0 HG SER A 5 -25.697 -14.216 3.291 1.00 0.00 H new ATOM 50 N SER A 6 -22.879 -10.612 4.532 1.00 0.00 N ATOM 51 CA SER A 6 -22.200 -9.825 5.554 1.00 0.00 C ATOM 52 C SER A 6 -21.726 -8.490 4.986 1.00 0.00 C ATOM 53 O SER A 6 -21.961 -7.435 5.574 1.00 0.00 O ATOM 54 CB SER A 6 -21.012 -10.602 6.121 1.00 0.00 C ATOM 55 OG SER A 6 -20.872 -10.379 7.514 1.00 0.00 O ATOM 0 H SER A 6 -22.402 -11.478 4.280 1.00 0.00 H new ATOM 0 HA SER A 6 -22.911 -9.627 6.356 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.147 -11.667 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.099 -10.301 5.608 1.00 0.00 H new ATOM 0 HG SER A 6 -20.106 -10.889 7.852 1.00 0.00 H new ATOM 61 N GLY A 7 -21.056 -8.546 3.839 1.00 0.00 N ATOM 62 CA GLY A 7 -20.558 -7.336 3.211 1.00 0.00 C ATOM 63 C GLY A 7 -19.043 -7.274 3.192 1.00 0.00 C ATOM 64 O GLY A 7 -18.377 -8.275 2.925 1.00 0.00 O ATOM 0 H GLY A 7 -20.849 -9.407 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.934 -7.279 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.948 -6.468 3.742 1.00 0.00 H new ATOM 68 N MET A 8 -18.497 -6.096 3.475 1.00 0.00 N ATOM 69 CA MET A 8 -17.052 -5.907 3.489 1.00 0.00 C ATOM 70 C MET A 8 -16.687 -4.524 4.020 1.00 0.00 C ATOM 71 O MET A 8 -16.707 -3.539 3.282 1.00 0.00 O ATOM 72 CB MET A 8 -16.479 -6.093 2.083 1.00 0.00 C ATOM 73 CG MET A 8 -14.960 -6.081 2.038 1.00 0.00 C ATOM 74 SD MET A 8 -14.311 -6.362 0.380 1.00 0.00 S ATOM 75 CE MET A 8 -12.571 -6.024 0.633 1.00 0.00 C ATOM 0 H MET A 8 -19.034 -5.258 3.698 1.00 0.00 H new ATOM 0 HA MET A 8 -16.620 -6.656 4.153 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.839 -7.038 1.675 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.859 -5.302 1.437 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.597 -5.122 2.408 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.575 -6.848 2.709 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.242 -5.260 -0.072 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.414 -5.669 1.652 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.996 -6.936 0.474 1.00 0.00 H new ATOM 85 N ALA A 9 -16.354 -4.459 5.305 1.00 0.00 N ATOM 86 CA ALA A 9 -15.984 -3.197 5.936 1.00 0.00 C ATOM 87 C ALA A 9 -14.695 -3.341 6.737 1.00 0.00 C ATOM 88 O ALA A 9 -14.571 -4.233 7.578 1.00 0.00 O ATOM 89 CB ALA A 9 -17.112 -2.705 6.831 1.00 0.00 C ATOM 0 H ALA A 9 -16.333 -5.265 5.930 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.812 -2.462 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.823 -1.762 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.011 -2.554 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.311 -3.445 7.606 1.00 0.00 H new ATOM 95 N LEU A 10 -13.736 -2.461 6.470 1.00 0.00 N ATOM 96 CA LEU A 10 -12.457 -2.490 7.168 1.00 0.00 C ATOM 97 C LEU A 10 -12.431 -1.471 8.303 1.00 0.00 C ATOM 98 O LEU A 10 -13.439 -0.832 8.599 1.00 0.00 O ATOM 99 CB LEU A 10 -11.313 -2.210 6.190 1.00 0.00 C ATOM 100 CG LEU A 10 -11.271 -3.121 4.963 1.00 0.00 C ATOM 101 CD1 LEU A 10 -10.137 -2.715 4.036 1.00 0.00 C ATOM 102 CD2 LEU A 10 -11.122 -4.574 5.385 1.00 0.00 C ATOM 0 H LEU A 10 -13.821 -1.719 5.775 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.328 -3.485 7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.389 -1.176 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.368 -2.303 6.725 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.211 -3.014 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.123 -3.374 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.286 -1.686 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.188 -2.793 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.094 -5.209 4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.197 -4.696 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.968 -4.860 6.010 1.00 0.00 H new ATOM 114 N ALA A 11 -11.270 -1.328 8.934 1.00 0.00 N ATOM 115 CA ALA A 11 -11.112 -0.387 10.037 1.00 0.00 C ATOM 116 C ALA A 11 -10.676 0.983 9.532 1.00 0.00 C ATOM 117 O ALA A 11 -10.440 1.170 8.338 1.00 0.00 O ATOM 118 CB ALA A 11 -10.109 -0.923 11.047 1.00 0.00 C ATOM 0 H ALA A 11 -10.426 -1.851 8.701 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.079 -0.273 10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.000 -0.211 11.865 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.463 -1.876 11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.144 -1.067 10.561 1.00 0.00 H new ATOM 124 N ARG A 12 -10.572 1.941 10.448 1.00 0.00 N ATOM 125 CA ARG A 12 -10.165 3.295 10.094 1.00 0.00 C ATOM 126 C ARG A 12 -8.775 3.606 10.643 1.00 0.00 C ATOM 127 O ARG A 12 -8.493 3.365 11.816 1.00 0.00 O ATOM 128 CB ARG A 12 -11.175 4.311 10.630 1.00 0.00 C ATOM 129 CG ARG A 12 -11.312 5.550 9.760 1.00 0.00 C ATOM 130 CD ARG A 12 -12.750 6.041 9.706 1.00 0.00 C ATOM 131 NE ARG A 12 -12.948 7.249 10.504 1.00 0.00 N ATOM 132 CZ ARG A 12 -13.151 7.245 11.820 1.00 0.00 C ATOM 133 NH1 ARG A 12 -13.182 6.101 12.492 1.00 0.00 N ATOM 134 NH2 ARG A 12 -13.321 8.390 12.467 1.00 0.00 N ATOM 0 H ARG A 12 -10.764 1.804 11.440 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.132 3.365 9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.149 3.830 10.719 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.876 4.613 11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.671 6.341 10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.965 5.327 8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.026 6.242 8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.415 5.256 10.066 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.930 8.149 10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.050 5.217 12.000 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.338 6.106 13.500 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.296 9.273 11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.477 8.388 13.475 1.00 0.00 H new ATOM 148 N ALA A 13 -7.912 4.141 9.785 1.00 0.00 N ATOM 149 CA ALA A 13 -6.552 4.484 10.184 1.00 0.00 C ATOM 150 C ALA A 13 -6.407 5.985 10.408 1.00 0.00 C ATOM 151 O ALA A 13 -7.344 6.750 10.182 1.00 0.00 O ATOM 152 CB ALA A 13 -5.559 4.007 9.136 1.00 0.00 C ATOM 0 H ALA A 13 -8.130 4.346 8.810 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.339 3.981 11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.548 4.270 9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.636 2.925 9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.781 4.484 8.181 1.00 0.00 H new ATOM 158 N ASN A 14 -5.225 6.400 10.852 1.00 0.00 N ATOM 159 CA ASN A 14 -4.956 7.810 11.105 1.00 0.00 C ATOM 160 C ASN A 14 -3.595 8.220 10.548 1.00 0.00 C ATOM 161 O ASN A 14 -3.004 9.204 10.994 1.00 0.00 O ATOM 162 CB ASN A 14 -5.012 8.099 12.606 1.00 0.00 C ATOM 163 CG ASN A 14 -5.240 9.569 12.904 1.00 0.00 C ATOM 164 OD1 ASN A 14 -5.145 10.416 12.017 1.00 0.00 O ATOM 165 ND2 ASN A 14 -5.542 9.878 14.159 1.00 0.00 N ATOM 0 H ASN A 14 -4.438 5.780 11.044 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.724 8.394 10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.812 7.511 13.057 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.080 7.777 13.070 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.706 10.850 14.420 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.610 9.143 14.863 1.00 0.00 H new ATOM 172 N SER A 15 -3.102 7.462 9.572 1.00 0.00 N ATOM 173 CA SER A 15 -1.810 7.752 8.958 1.00 0.00 C ATOM 174 C SER A 15 -1.483 6.734 7.867 1.00 0.00 C ATOM 175 O SER A 15 -1.708 5.536 8.041 1.00 0.00 O ATOM 176 CB SER A 15 -0.706 7.752 10.017 1.00 0.00 C ATOM 177 OG SER A 15 0.572 7.899 9.422 1.00 0.00 O ATOM 0 H SER A 15 -3.577 6.644 9.190 1.00 0.00 H new ATOM 0 HA SER A 15 -1.868 8.741 8.502 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.877 8.563 10.725 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.742 6.822 10.584 1.00 0.00 H new ATOM 0 HG SER A 15 1.260 7.898 10.120 1.00 0.00 H new ATOM 183 N PRO A 16 -0.943 7.196 6.724 1.00 0.00 N ATOM 184 CA PRO A 16 -0.587 6.311 5.608 1.00 0.00 C ATOM 185 C PRO A 16 0.349 5.186 6.037 1.00 0.00 C ATOM 186 O PRO A 16 0.320 4.092 5.471 1.00 0.00 O ATOM 187 CB PRO A 16 0.121 7.244 4.620 1.00 0.00 C ATOM 188 CG PRO A 16 -0.389 8.604 4.945 1.00 0.00 C ATOM 189 CD PRO A 16 -0.639 8.608 6.427 1.00 0.00 C ATOM 0 HA PRO A 16 -1.462 5.813 5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.204 7.191 4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.106 6.973 3.589 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.337 9.369 4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.304 8.820 4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.233 8.957 6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.469 9.263 6.693 1.00 0.00 H new ATOM 197 N GLN A 17 1.177 5.461 7.038 1.00 0.00 N ATOM 198 CA GLN A 17 2.122 4.472 7.542 1.00 0.00 C ATOM 199 C GLN A 17 1.394 3.235 8.058 1.00 0.00 C ATOM 200 O GLN A 17 1.882 2.113 7.921 1.00 0.00 O ATOM 201 CB GLN A 17 2.978 5.075 8.658 1.00 0.00 C ATOM 202 CG GLN A 17 3.948 6.140 8.172 1.00 0.00 C ATOM 203 CD GLN A 17 5.028 6.452 9.189 1.00 0.00 C ATOM 204 OE1 GLN A 17 4.750 6.620 10.376 1.00 0.00 O ATOM 205 NE2 GLN A 17 6.271 6.531 8.726 1.00 0.00 N ATOM 0 H GLN A 17 1.213 6.361 7.517 1.00 0.00 H new ATOM 0 HA GLN A 17 2.769 4.173 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.323 5.509 9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.540 4.278 9.144 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.413 5.807 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.396 7.051 7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.456 6.384 7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.040 6.738 9.363 1.00 0.00 H new ATOM 214 N GLU A 18 0.225 3.448 8.652 1.00 0.00 N ATOM 215 CA GLU A 18 -0.570 2.350 9.189 1.00 0.00 C ATOM 216 C GLU A 18 -1.450 1.735 8.106 1.00 0.00 C ATOM 217 O GLU A 18 -1.554 0.513 7.996 1.00 0.00 O ATOM 218 CB GLU A 18 -1.436 2.840 10.351 1.00 0.00 C ATOM 219 CG GLU A 18 -1.539 1.847 11.495 1.00 0.00 C ATOM 220 CD GLU A 18 -2.258 2.419 12.702 1.00 0.00 C ATOM 221 OE1 GLU A 18 -2.344 3.661 12.807 1.00 0.00 O ATOM 222 OE2 GLU A 18 -2.733 1.626 13.541 1.00 0.00 O ATOM 0 H GLU A 18 -0.193 4.370 8.774 1.00 0.00 H new ATOM 0 HA GLU A 18 0.114 1.584 9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.025 3.776 10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.437 3.059 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.065 0.956 11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.538 1.532 11.789 1.00 0.00 H new ATOM 229 N ALA A 19 -2.084 2.590 7.309 1.00 0.00 N ATOM 230 CA ALA A 19 -2.956 2.132 6.235 1.00 0.00 C ATOM 231 C ALA A 19 -2.182 1.309 5.210 1.00 0.00 C ATOM 232 O ALA A 19 -2.731 0.403 4.583 1.00 0.00 O ATOM 233 CB ALA A 19 -3.630 3.318 5.561 1.00 0.00 C ATOM 0 H ALA A 19 -2.009 3.604 7.388 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.722 1.491 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.278 2.961 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.224 3.863 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.871 3.980 5.145 1.00 0.00 H new ATOM 239 N LEU A 20 -0.902 1.630 5.046 1.00 0.00 N ATOM 240 CA LEU A 20 -0.053 0.922 4.096 1.00 0.00 C ATOM 241 C LEU A 20 0.427 -0.405 4.677 1.00 0.00 C ATOM 242 O LEU A 20 0.255 -1.460 4.066 1.00 0.00 O ATOM 243 CB LEU A 20 1.149 1.787 3.709 1.00 0.00 C ATOM 244 CG LEU A 20 2.059 1.187 2.635 1.00 0.00 C ATOM 245 CD1 LEU A 20 1.413 1.308 1.264 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.418 1.870 2.648 1.00 0.00 C ATOM 0 H LEU A 20 -0.431 2.375 5.559 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.645 0.715 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.785 2.752 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.743 1.977 4.603 1.00 0.00 H new ATOM 0 HG LEU A 20 2.204 0.129 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.073 0.877 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.462 0.775 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.240 2.359 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.053 1.431 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.292 2.935 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.884 1.734 3.624 1.00 0.00 H new ATOM 258 N LEU A 21 1.030 -0.344 5.859 1.00 0.00 N ATOM 259 CA LEU A 21 1.536 -1.541 6.523 1.00 0.00 C ATOM 260 C LEU A 21 0.410 -2.535 6.789 1.00 0.00 C ATOM 261 O LEU A 21 0.614 -3.747 6.736 1.00 0.00 O ATOM 262 CB LEU A 21 2.226 -1.167 7.836 1.00 0.00 C ATOM 263 CG LEU A 21 2.752 -2.351 8.650 1.00 0.00 C ATOM 264 CD1 LEU A 21 4.073 -2.845 8.082 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.910 -1.963 10.113 1.00 0.00 C ATOM 0 H LEU A 21 1.181 0.521 6.378 1.00 0.00 H new ATOM 0 HA LEU A 21 2.262 -2.014 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.059 -0.499 7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.523 -0.606 8.452 1.00 0.00 H new ATOM 0 HG LEU A 21 2.027 -3.162 8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.431 -3.687 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.929 -3.163 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.807 -2.040 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.285 -2.817 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.615 -1.135 10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.944 -1.658 10.515 1.00 0.00 H new ATOM 277 N TRP A 22 -0.777 -2.013 7.078 1.00 0.00 N ATOM 278 CA TRP A 22 -1.935 -2.855 7.354 1.00 0.00 C ATOM 279 C TRP A 22 -2.423 -3.546 6.084 1.00 0.00 C ATOM 280 O TRP A 22 -2.954 -4.655 6.134 1.00 0.00 O ATOM 281 CB TRP A 22 -3.065 -2.022 7.963 1.00 0.00 C ATOM 282 CG TRP A 22 -4.180 -2.851 8.521 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.286 -3.331 9.795 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.348 -3.299 7.825 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.449 -4.049 9.933 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.118 -4.044 8.737 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.819 -3.141 6.518 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.332 -4.630 8.383 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.023 -3.723 6.169 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.767 -4.459 7.099 1.00 0.00 C ATOM 0 H TRP A 22 -0.962 -1.011 7.127 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.633 -3.621 8.068 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.657 -1.394 8.755 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.465 -1.354 7.201 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.561 -3.170 10.579 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.763 -4.511 10.787 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.252 -2.574 5.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.908 -5.199 9.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.396 -3.608 5.162 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.704 -4.901 6.795 1.00 0.00 H new ATOM 301 N ALA A 23 -2.239 -2.882 4.948 1.00 0.00 N ATOM 302 CA ALA A 23 -2.661 -3.432 3.665 1.00 0.00 C ATOM 303 C ALA A 23 -1.712 -4.530 3.198 1.00 0.00 C ATOM 304 O ALA A 23 -2.146 -5.603 2.778 1.00 0.00 O ATOM 305 CB ALA A 23 -2.749 -2.329 2.622 1.00 0.00 C ATOM 0 H ALA A 23 -1.801 -1.963 4.889 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.649 -3.874 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.065 -2.754 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.473 -1.581 2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.772 -1.861 2.504 1.00 0.00 H new ATOM 311 N LEU A 24 -0.414 -4.254 3.274 1.00 0.00 N ATOM 312 CA LEU A 24 0.598 -5.220 2.858 1.00 0.00 C ATOM 313 C LEU A 24 0.495 -6.505 3.674 1.00 0.00 C ATOM 314 O LEU A 24 0.796 -7.590 3.179 1.00 0.00 O ATOM 315 CB LEU A 24 1.998 -4.618 3.007 1.00 0.00 C ATOM 316 CG LEU A 24 2.433 -3.702 1.863 1.00 0.00 C ATOM 317 CD1 LEU A 24 3.575 -2.800 2.308 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.842 -4.523 0.649 1.00 0.00 C ATOM 0 H LEU A 24 -0.038 -3.371 3.619 1.00 0.00 H new ATOM 0 HA LEU A 24 0.423 -5.463 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.037 -4.054 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.719 -5.431 3.096 1.00 0.00 H new ATOM 0 HG LEU A 24 1.587 -3.074 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.872 -2.155 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.248 -2.187 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.424 -3.412 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.149 -3.855 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.673 -5.176 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.998 -5.127 0.317 1.00 0.00 H new ATOM 330 N ASN A 25 0.067 -6.372 4.925 1.00 0.00 N ATOM 331 CA ASN A 25 -0.075 -7.523 5.809 1.00 0.00 C ATOM 332 C ASN A 25 -1.285 -8.365 5.416 1.00 0.00 C ATOM 333 O ASN A 25 -1.291 -9.583 5.598 1.00 0.00 O ATOM 334 CB ASN A 25 -0.208 -7.063 7.263 1.00 0.00 C ATOM 335 CG ASN A 25 1.124 -7.053 7.988 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.594 -8.088 8.459 1.00 0.00 O ATOM 337 ND2 ASN A 25 1.737 -5.879 8.083 1.00 0.00 N ATOM 0 H ASN A 25 -0.187 -5.480 5.349 1.00 0.00 H new ATOM 0 HA ASN A 25 0.820 -8.138 5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.640 -6.062 7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.900 -7.721 7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.635 -5.810 8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.310 -5.046 7.677 1.00 0.00 H new ATOM 344 N ASP A 26 -2.308 -7.709 4.879 1.00 0.00 N ATOM 345 CA ASP A 26 -3.524 -8.398 4.461 1.00 0.00 C ATOM 346 C ASP A 26 -3.219 -9.440 3.390 1.00 0.00 C ATOM 347 O ASP A 26 -3.873 -10.480 3.318 1.00 0.00 O ATOM 348 CB ASP A 26 -4.549 -7.393 3.934 1.00 0.00 C ATOM 349 CG ASP A 26 -5.976 -7.821 4.217 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.473 -7.534 5.327 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.597 -8.442 3.329 1.00 0.00 O ATOM 0 H ASP A 26 -2.320 -6.701 4.723 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.939 -8.908 5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.367 -6.420 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.415 -7.271 2.859 1.00 0.00 H new ATOM 356 N LEU A 27 -2.222 -9.153 2.559 1.00 0.00 N ATOM 357 CA LEU A 27 -1.831 -10.066 1.492 1.00 0.00 C ATOM 358 C LEU A 27 -1.395 -11.413 2.060 1.00 0.00 C ATOM 359 O LEU A 27 -0.910 -11.494 3.188 1.00 0.00 O ATOM 360 CB LEU A 27 -0.697 -9.458 0.662 1.00 0.00 C ATOM 361 CG LEU A 27 -1.090 -8.241 -0.176 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.127 -7.373 -0.457 1.00 0.00 C ATOM 363 CD2 LEU A 27 -1.746 -8.679 -1.476 1.00 0.00 C ATOM 0 H LEU A 27 -1.671 -8.296 2.604 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.697 -10.226 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.112 -9.171 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.302 -10.226 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.810 -7.650 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.171 -6.511 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.555 -7.031 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.870 -7.954 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.019 -7.800 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.048 -9.292 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.641 -9.260 -1.254 1.00 0.00 H new ATOM 375 N GLU A 28 -1.572 -12.467 1.270 1.00 0.00 N ATOM 376 CA GLU A 28 -1.196 -13.811 1.694 1.00 0.00 C ATOM 377 C GLU A 28 0.223 -14.146 1.247 1.00 0.00 C ATOM 378 O GLU A 28 0.848 -13.384 0.509 1.00 0.00 O ATOM 379 CB GLU A 28 -2.178 -14.840 1.128 1.00 0.00 C ATOM 380 CG GLU A 28 -3.552 -14.789 1.776 1.00 0.00 C ATOM 381 CD GLU A 28 -3.754 -15.890 2.801 1.00 0.00 C ATOM 382 OE1 GLU A 28 -2.777 -16.243 3.493 1.00 0.00 O ATOM 383 OE2 GLU A 28 -4.889 -16.399 2.908 1.00 0.00 O ATOM 0 H GLU A 28 -1.973 -12.417 0.334 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.232 -13.845 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.285 -14.677 0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.761 -15.838 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.687 -13.820 2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.317 -14.871 1.004 1.00 0.00 H new ATOM 390 N GLU A 29 0.726 -15.290 1.699 1.00 0.00 N ATOM 391 CA GLU A 29 2.073 -15.726 1.347 1.00 0.00 C ATOM 392 C GLU A 29 2.199 -15.940 -0.158 1.00 0.00 C ATOM 393 O GLU A 29 3.167 -15.501 -0.779 1.00 0.00 O ATOM 394 CB GLU A 29 2.424 -17.016 2.092 1.00 0.00 C ATOM 395 CG GLU A 29 3.777 -16.969 2.783 1.00 0.00 C ATOM 396 CD GLU A 29 3.661 -16.934 4.295 1.00 0.00 C ATOM 397 OE1 GLU A 29 3.372 -15.850 4.843 1.00 0.00 O ATOM 398 OE2 GLU A 29 3.860 -17.991 4.930 1.00 0.00 O ATOM 0 H GLU A 29 0.221 -15.932 2.310 1.00 0.00 H new ATOM 0 HA GLU A 29 2.772 -14.944 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.652 -17.218 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.414 -17.847 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.362 -17.840 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.323 -16.089 2.444 1.00 0.00 H new ATOM 405 N ASN A 30 1.215 -16.620 -0.739 1.00 0.00 N ATOM 406 CA ASN A 30 1.217 -16.893 -2.172 1.00 0.00 C ATOM 407 C ASN A 30 1.098 -15.601 -2.974 1.00 0.00 C ATOM 408 O ASN A 30 1.619 -15.496 -4.083 1.00 0.00 O ATOM 409 CB ASN A 30 0.071 -17.842 -2.532 1.00 0.00 C ATOM 410 CG ASN A 30 0.545 -19.265 -2.748 1.00 0.00 C ATOM 411 OD1 ASN A 30 0.792 -19.685 -3.878 1.00 0.00 O ATOM 412 ND2 ASN A 30 0.676 -20.017 -1.660 1.00 0.00 N ATOM 0 H ASN A 30 0.407 -16.992 -0.240 1.00 0.00 H new ATOM 0 HA ASN A 30 2.165 -17.367 -2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.673 -17.827 -1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.422 -17.485 -3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.992 -20.983 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.460 -19.628 -0.742 1.00 0.00 H new ATOM 419 N SER A 31 0.407 -14.618 -2.404 1.00 0.00 N ATOM 420 CA SER A 31 0.219 -13.332 -3.066 1.00 0.00 C ATOM 421 C SER A 31 1.428 -12.426 -2.852 1.00 0.00 C ATOM 422 O SER A 31 1.838 -11.698 -3.755 1.00 0.00 O ATOM 423 CB SER A 31 -1.045 -12.646 -2.546 1.00 0.00 C ATOM 424 OG SER A 31 -2.210 -13.313 -2.997 1.00 0.00 O ATOM 0 H SER A 31 -0.032 -14.688 -1.486 1.00 0.00 H new ATOM 0 HA SER A 31 0.111 -13.516 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.031 -12.629 -1.456 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.063 -11.609 -2.881 1.00 0.00 H new ATOM 0 HG SER A 31 -3.004 -12.856 -2.649 1.00 0.00 H new ATOM 430 N PHE A 32 1.993 -12.477 -1.650 1.00 0.00 N ATOM 431 CA PHE A 32 3.155 -11.660 -1.316 1.00 0.00 C ATOM 432 C PHE A 32 4.411 -12.193 -1.999 1.00 0.00 C ATOM 433 O PHE A 32 5.319 -11.432 -2.332 1.00 0.00 O ATOM 434 CB PHE A 32 3.361 -11.625 0.200 1.00 0.00 C ATOM 435 CG PHE A 32 3.922 -10.325 0.698 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.254 -9.133 0.468 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.119 -10.293 1.396 1.00 0.00 C ATOM 438 CE1 PHE A 32 3.767 -7.935 0.926 1.00 0.00 C ATOM 439 CE2 PHE A 32 5.638 -9.097 1.856 1.00 0.00 C ATOM 440 CZ PHE A 32 4.961 -7.917 1.620 1.00 0.00 C ATOM 0 H PHE A 32 1.666 -13.075 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 32 2.971 -10.647 -1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.407 -11.812 0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.032 -12.435 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.321 -9.141 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.653 -11.213 1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.235 -7.013 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.571 -9.086 2.399 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.365 -6.981 1.978 1.00 0.00 H new ATOM 450 N LYS A 33 4.457 -13.506 -2.203 1.00 0.00 N ATOM 451 CA LYS A 33 5.602 -14.141 -2.844 1.00 0.00 C ATOM 452 C LYS A 33 5.758 -13.658 -4.284 1.00 0.00 C ATOM 453 O LYS A 33 6.844 -13.254 -4.700 1.00 0.00 O ATOM 454 CB LYS A 33 5.450 -15.664 -2.816 1.00 0.00 C ATOM 455 CG LYS A 33 6.314 -16.341 -1.765 1.00 0.00 C ATOM 456 CD LYS A 33 6.111 -17.848 -1.762 1.00 0.00 C ATOM 457 CE LYS A 33 7.430 -18.589 -1.608 1.00 0.00 C ATOM 458 NZ LYS A 33 7.619 -19.107 -0.225 1.00 0.00 N ATOM 0 H LYS A 33 3.714 -14.151 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 33 6.498 -13.863 -2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.405 -15.913 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.705 -16.065 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.363 -16.115 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.074 -15.939 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.441 -18.124 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.628 -18.153 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.465 -19.419 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.253 -17.921 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.530 -19.605 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.612 -18.313 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.848 -19.765 0.008 1.00 0.00 H new ATOM 472 N THR A 34 4.666 -13.704 -5.041 1.00 0.00 N ATOM 473 CA THR A 34 4.681 -13.273 -6.433 1.00 0.00 C ATOM 474 C THR A 34 4.722 -11.752 -6.535 1.00 0.00 C ATOM 475 O THR A 34 5.288 -11.198 -7.477 1.00 0.00 O ATOM 476 CB THR A 34 3.452 -13.811 -7.168 1.00 0.00 C ATOM 477 OG1 THR A 34 3.239 -15.176 -6.856 1.00 0.00 O ATOM 478 CG2 THR A 34 3.558 -13.695 -8.673 1.00 0.00 C ATOM 0 H THR A 34 3.759 -14.036 -4.713 1.00 0.00 H new ATOM 0 HA THR A 34 5.581 -13.673 -6.900 1.00 0.00 H new ATOM 0 HB THR A 34 2.619 -13.194 -6.830 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.748 -15.246 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.654 -14.094 -9.133 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.674 -12.647 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.423 -14.260 -9.021 1.00 0.00 H new ATOM 486 N LEU A 35 4.115 -11.082 -5.560 1.00 0.00 N ATOM 487 CA LEU A 35 4.081 -9.624 -5.541 1.00 0.00 C ATOM 488 C LEU A 35 5.463 -9.048 -5.246 1.00 0.00 C ATOM 489 O LEU A 35 5.813 -7.973 -5.730 1.00 0.00 O ATOM 490 CB LEU A 35 3.076 -9.132 -4.497 1.00 0.00 C ATOM 491 CG LEU A 35 2.852 -7.620 -4.478 1.00 0.00 C ATOM 492 CD1 LEU A 35 1.949 -7.199 -5.627 1.00 0.00 C ATOM 493 CD2 LEU A 35 2.259 -7.187 -3.145 1.00 0.00 C ATOM 0 H LEU A 35 3.640 -11.525 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 35 3.770 -9.280 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.120 -9.624 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.417 -9.446 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 35 3.816 -7.127 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.801 -6.119 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.412 -7.475 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.985 -7.700 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.106 -6.108 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.304 -7.689 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.942 -7.454 -2.339 1.00 0.00 H new ATOM 505 N LYS A 36 6.242 -9.771 -4.447 1.00 0.00 N ATOM 506 CA LYS A 36 7.585 -9.330 -4.086 1.00 0.00 C ATOM 507 C LYS A 36 8.450 -9.141 -5.329 1.00 0.00 C ATOM 508 O LYS A 36 9.091 -8.104 -5.499 1.00 0.00 O ATOM 509 CB LYS A 36 8.240 -10.341 -3.142 1.00 0.00 C ATOM 510 CG LYS A 36 8.055 -10.004 -1.670 1.00 0.00 C ATOM 511 CD LYS A 36 9.027 -10.779 -0.795 1.00 0.00 C ATOM 512 CE LYS A 36 8.346 -11.950 -0.105 1.00 0.00 C ATOM 513 NZ LYS A 36 9.040 -12.332 1.157 1.00 0.00 N ATOM 0 H LYS A 36 5.967 -10.664 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 36 7.500 -8.370 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.824 -11.330 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.306 -10.395 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.201 -8.934 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.032 -10.231 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.853 -11.145 -1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.454 -10.113 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.311 -11.690 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.323 -12.806 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.545 -13.134 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.021 -12.605 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.040 -11.524 1.812 1.00 0.00 H new ATOM 527 N PHE A 37 8.464 -10.150 -6.194 1.00 0.00 N ATOM 528 CA PHE A 37 9.250 -10.094 -7.421 1.00 0.00 C ATOM 529 C PHE A 37 8.814 -8.924 -8.296 1.00 0.00 C ATOM 530 O PHE A 37 9.618 -8.353 -9.033 1.00 0.00 O ATOM 531 CB PHE A 37 9.114 -11.405 -8.199 1.00 0.00 C ATOM 532 CG PHE A 37 10.345 -11.771 -8.978 1.00 0.00 C ATOM 533 CD1 PHE A 37 10.669 -11.096 -10.144 1.00 0.00 C ATOM 534 CD2 PHE A 37 11.178 -12.790 -8.544 1.00 0.00 C ATOM 535 CE1 PHE A 37 11.800 -11.430 -10.863 1.00 0.00 C ATOM 536 CE2 PHE A 37 12.310 -13.129 -9.259 1.00 0.00 C ATOM 537 CZ PHE A 37 12.622 -12.447 -10.420 1.00 0.00 C ATOM 0 H PHE A 37 7.940 -11.016 -6.068 1.00 0.00 H new ATOM 0 HA PHE A 37 10.295 -9.948 -7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.883 -12.210 -7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.270 -11.325 -8.885 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.030 -10.299 -10.495 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.939 -13.325 -7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.041 -10.896 -11.770 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.951 -13.926 -8.911 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.508 -12.709 -10.980 1.00 0.00 H new ATOM 547 N HIS A 38 7.535 -8.572 -8.210 1.00 0.00 N ATOM 548 CA HIS A 38 6.990 -7.470 -8.994 1.00 0.00 C ATOM 549 C HIS A 38 7.544 -6.131 -8.515 1.00 0.00 C ATOM 550 O HIS A 38 7.674 -5.188 -9.295 1.00 0.00 O ATOM 551 CB HIS A 38 5.463 -7.464 -8.909 1.00 0.00 C ATOM 552 CG HIS A 38 4.811 -8.484 -9.791 1.00 0.00 C ATOM 553 ND1 HIS A 38 4.998 -8.552 -11.153 1.00 0.00 N ATOM 554 CD2 HIS A 38 3.958 -9.493 -9.479 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.270 -9.577 -11.617 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.620 -10.181 -10.641 1.00 0.00 N ATOM 0 H HIS A 38 6.857 -9.034 -7.605 1.00 0.00 H new ATOM 0 HA HIS A 38 7.289 -7.614 -10.032 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.164 -7.644 -7.876 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.096 -6.474 -9.179 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.599 -9.725 -8.487 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.222 -9.870 -12.655 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.998 -10.986 -10.721 1.00 0.00 H new ATOM 564 N LEU A 39 7.866 -6.056 -7.228 1.00 0.00 N ATOM 565 CA LEU A 39 8.405 -4.831 -6.645 1.00 0.00 C ATOM 566 C LEU A 39 9.695 -4.414 -7.345 1.00 0.00 C ATOM 567 O LEU A 39 9.962 -3.226 -7.518 1.00 0.00 O ATOM 568 CB LEU A 39 8.663 -5.023 -5.149 1.00 0.00 C ATOM 569 CG LEU A 39 7.467 -5.537 -4.346 1.00 0.00 C ATOM 570 CD1 LEU A 39 7.837 -5.695 -2.879 1.00 0.00 C ATOM 571 CD2 LEU A 39 6.279 -4.599 -4.501 1.00 0.00 C ATOM 0 H LEU A 39 7.764 -6.828 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 39 7.667 -4.040 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.491 -5.721 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.983 -4.071 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 39 7.185 -6.515 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.974 -6.062 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.658 -6.406 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.145 -4.730 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.437 -4.980 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.549 -3.607 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.999 -4.537 -5.553 1.00 0.00 H new ATOM 583 N ARG A 40 10.492 -5.400 -7.742 1.00 0.00 N ATOM 584 CA ARG A 40 11.756 -5.134 -8.422 1.00 0.00 C ATOM 585 C ARG A 40 11.522 -4.474 -9.778 1.00 0.00 C ATOM 586 O ARG A 40 12.379 -3.744 -10.278 1.00 0.00 O ATOM 587 CB ARG A 40 12.542 -6.434 -8.604 1.00 0.00 C ATOM 588 CG ARG A 40 13.903 -6.236 -9.253 1.00 0.00 C ATOM 589 CD ARG A 40 14.167 -7.279 -10.328 1.00 0.00 C ATOM 590 NE ARG A 40 15.383 -6.991 -11.084 1.00 0.00 N ATOM 591 CZ ARG A 40 16.611 -7.268 -10.650 1.00 0.00 C ATOM 592 NH1 ARG A 40 16.791 -7.839 -9.465 1.00 0.00 N ATOM 593 NH2 ARG A 40 17.662 -6.973 -11.402 1.00 0.00 N ATOM 0 H ARG A 40 10.286 -6.390 -7.605 1.00 0.00 H new ATOM 0 HA ARG A 40 12.334 -4.448 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.678 -6.906 -7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.955 -7.122 -9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.956 -5.239 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.681 -6.292 -8.492 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.252 -8.262 -9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.318 -7.320 -11.010 1.00 0.00 H new ATOM 0 HE ARG A 40 15.286 -6.551 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.986 -8.068 -8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.734 -8.049 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.530 -6.534 -12.313 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.603 -7.185 -11.070 1.00 0.00 H new ATOM 607 N ASP A 41 10.362 -4.737 -10.370 1.00 0.00 N ATOM 608 CA ASP A 41 10.022 -4.168 -11.670 1.00 0.00 C ATOM 609 C ASP A 41 9.611 -2.705 -11.541 1.00 0.00 C ATOM 610 O ASP A 41 9.816 -1.910 -12.458 1.00 0.00 O ATOM 611 CB ASP A 41 8.893 -4.971 -12.320 1.00 0.00 C ATOM 612 CG ASP A 41 9.288 -6.409 -12.592 1.00 0.00 C ATOM 613 OD1 ASP A 41 9.262 -7.222 -11.644 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.625 -6.723 -13.753 1.00 0.00 O ATOM 0 H ASP A 41 9.642 -5.340 -9.971 1.00 0.00 H new ATOM 0 HA ASP A 41 10.909 -4.219 -12.301 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.018 -4.954 -11.670 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.604 -4.493 -13.256 1.00 0.00 H new ATOM 619 N VAL A 42 9.027 -2.355 -10.399 1.00 0.00 N ATOM 620 CA VAL A 42 8.587 -0.985 -10.158 1.00 0.00 C ATOM 621 C VAL A 42 9.655 -0.180 -9.424 1.00 0.00 C ATOM 622 O VAL A 42 9.944 0.960 -9.788 1.00 0.00 O ATOM 623 CB VAL A 42 7.277 -0.947 -9.344 1.00 0.00 C ATOM 624 CG1 VAL A 42 6.156 -1.640 -10.103 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.472 -1.582 -7.974 1.00 0.00 C ATOM 0 H VAL A 42 8.848 -2.999 -9.628 1.00 0.00 H new ATOM 0 HA VAL A 42 8.410 -0.537 -11.136 1.00 0.00 H new ATOM 0 HB VAL A 42 6.998 0.096 -9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.240 -1.603 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.995 -1.135 -11.055 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.428 -2.680 -10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.535 -1.544 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.780 -2.621 -8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.241 -1.037 -7.427 1.00 0.00 H new ATOM 635 N THR A 43 10.237 -0.779 -8.391 1.00 0.00 N ATOM 636 CA THR A 43 11.273 -0.115 -7.608 1.00 0.00 C ATOM 637 C THR A 43 12.663 -0.549 -8.062 1.00 0.00 C ATOM 638 O THR A 43 13.075 -1.685 -7.833 1.00 0.00 O ATOM 639 CB THR A 43 11.092 -0.421 -6.120 1.00 0.00 C ATOM 640 OG1 THR A 43 11.184 -1.814 -5.879 1.00 0.00 O ATOM 641 CG2 THR A 43 9.765 0.054 -5.567 1.00 0.00 C ATOM 0 H THR A 43 10.009 -1.722 -8.076 1.00 0.00 H new ATOM 0 HA THR A 43 11.178 0.959 -7.766 1.00 0.00 H new ATOM 0 HB THR A 43 11.892 0.121 -5.615 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.377 -2.258 -6.215 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.702 -0.195 -4.508 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.685 1.134 -5.692 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.951 -0.435 -6.103 1.00 0.00 H new ATOM 649 N GLN A 44 13.379 0.365 -8.709 1.00 0.00 N ATOM 650 CA GLN A 44 14.723 0.079 -9.196 1.00 0.00 C ATOM 651 C GLN A 44 15.745 1.011 -8.553 1.00 0.00 C ATOM 652 O GLN A 44 16.499 1.697 -9.244 1.00 0.00 O ATOM 653 CB GLN A 44 14.775 0.214 -10.720 1.00 0.00 C ATOM 654 CG GLN A 44 13.682 -0.561 -11.437 1.00 0.00 C ATOM 655 CD GLN A 44 14.127 -1.077 -12.792 1.00 0.00 C ATOM 656 OE1 GLN A 44 14.879 -2.046 -12.885 1.00 0.00 O ATOM 657 NE2 GLN A 44 13.661 -0.427 -13.854 1.00 0.00 N ATOM 0 H GLN A 44 13.051 1.310 -8.908 1.00 0.00 H new ATOM 0 HA GLN A 44 14.972 -0.946 -8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.696 1.268 -10.986 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.746 -0.132 -11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.371 -1.401 -10.817 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.810 0.081 -11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.039 0.372 -13.731 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.925 -0.727 -14.792 1.00 0.00 H new ATOM 666 N PHE A 45 15.764 1.032 -7.224 1.00 0.00 N ATOM 667 CA PHE A 45 16.692 1.881 -6.485 1.00 0.00 C ATOM 668 C PHE A 45 18.027 1.173 -6.275 1.00 0.00 C ATOM 669 O PHE A 45 19.052 1.588 -6.815 1.00 0.00 O ATOM 670 CB PHE A 45 16.092 2.274 -5.134 1.00 0.00 C ATOM 671 CG PHE A 45 16.595 3.590 -4.614 1.00 0.00 C ATOM 672 CD1 PHE A 45 16.057 4.782 -5.070 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.607 3.634 -3.668 1.00 0.00 C ATOM 674 CE1 PHE A 45 16.517 5.994 -4.591 1.00 0.00 C ATOM 675 CE2 PHE A 45 18.072 4.843 -3.187 1.00 0.00 C ATOM 676 CZ PHE A 45 17.526 6.025 -3.649 1.00 0.00 C ATOM 0 H PHE A 45 15.147 0.471 -6.637 1.00 0.00 H new ATOM 0 HA PHE A 45 16.867 2.782 -7.072 1.00 0.00 H new ATOM 0 HB2 PHE A 45 15.007 2.320 -5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.317 1.495 -4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.269 4.764 -5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 45 18.037 2.713 -3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.087 6.916 -4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.862 4.864 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.888 6.971 -3.274 1.00 0.00 H new ATOM 686 N HIS A 46 18.006 0.105 -5.485 1.00 0.00 N ATOM 687 CA HIS A 46 19.216 -0.660 -5.203 1.00 0.00 C ATOM 688 C HIS A 46 18.877 -2.109 -4.864 1.00 0.00 C ATOM 689 O HIS A 46 19.565 -2.746 -4.066 1.00 0.00 O ATOM 690 CB HIS A 46 19.990 -0.021 -4.048 1.00 0.00 C ATOM 691 CG HIS A 46 21.475 -0.048 -4.235 1.00 0.00 C ATOM 692 ND1 HIS A 46 22.263 1.080 -4.295 1.00 0.00 N ATOM 693 CD2 HIS A 46 22.319 -1.103 -4.374 1.00 0.00 C ATOM 694 CE1 HIS A 46 23.533 0.685 -4.466 1.00 0.00 C ATOM 695 NE2 HIS A 46 23.620 -0.630 -4.521 1.00 0.00 N ATOM 0 H HIS A 46 17.166 -0.251 -5.029 1.00 0.00 H new ATOM 0 HA HIS A 46 19.839 -0.651 -6.098 1.00 0.00 H new ATOM 0 HB2 HIS A 46 19.665 1.013 -3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 46 19.739 -0.539 -3.123 1.00 0.00 H new ATOM 0 HD2 HIS A 46 22.027 -2.143 -4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 46 24.375 1.356 -4.548 1.00 0.00 H new ATOM 0 HE2 HIS A 46 24.466 -1.186 -4.646 1.00 0.00 H new ATOM 703 N LEU A 47 17.814 -2.621 -5.474 1.00 0.00 N ATOM 704 CA LEU A 47 17.385 -3.995 -5.237 1.00 0.00 C ATOM 705 C LEU A 47 17.821 -4.906 -6.380 1.00 0.00 C ATOM 706 O LEU A 47 17.188 -4.941 -7.435 1.00 0.00 O ATOM 707 CB LEU A 47 15.866 -4.056 -5.073 1.00 0.00 C ATOM 708 CG LEU A 47 15.296 -3.144 -3.985 1.00 0.00 C ATOM 709 CD1 LEU A 47 13.952 -2.575 -4.413 1.00 0.00 C ATOM 710 CD2 LEU A 47 15.161 -3.901 -2.672 1.00 0.00 C ATOM 0 H LEU A 47 17.234 -2.106 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 47 17.857 -4.343 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.402 -3.795 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.581 -5.084 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 47 15.987 -2.315 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.563 -1.929 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.077 -1.997 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.252 -3.391 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.754 -3.237 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.491 -4.750 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.141 -4.259 -2.356 1.00 0.00 H new ATOM 722 N ALA A 48 18.907 -5.641 -6.163 1.00 0.00 N ATOM 723 CA ALA A 48 19.428 -6.552 -7.175 1.00 0.00 C ATOM 724 C ALA A 48 20.278 -7.649 -6.544 1.00 0.00 C ATOM 725 O ALA A 48 20.104 -8.831 -6.840 1.00 0.00 O ATOM 726 CB ALA A 48 20.237 -5.784 -8.208 1.00 0.00 C ATOM 0 H ALA A 48 19.443 -5.623 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 48 18.581 -7.027 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 48 20.620 -6.476 -8.958 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.601 -5.042 -8.690 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.071 -5.282 -7.717 1.00 0.00 H new ATOM 732 N ARG A 49 21.197 -7.249 -5.672 1.00 0.00 N ATOM 733 CA ARG A 49 22.075 -8.199 -4.998 1.00 0.00 C ATOM 734 C ARG A 49 21.266 -9.197 -4.174 1.00 0.00 C ATOM 735 O ARG A 49 21.318 -10.403 -4.415 1.00 0.00 O ATOM 736 CB ARG A 49 23.068 -7.457 -4.098 1.00 0.00 C ATOM 737 CG ARG A 49 24.523 -7.740 -4.437 1.00 0.00 C ATOM 738 CD ARG A 49 24.989 -9.056 -3.837 1.00 0.00 C ATOM 739 NE ARG A 49 26.368 -9.367 -4.203 1.00 0.00 N ATOM 740 CZ ARG A 49 27.430 -8.769 -3.669 1.00 0.00 C ATOM 741 NH1 ARG A 49 27.277 -7.829 -2.744 1.00 0.00 N ATOM 742 NH2 ARG A 49 28.651 -9.112 -4.060 1.00 0.00 N ATOM 0 H ARG A 49 21.353 -6.274 -5.415 1.00 0.00 H new ATOM 0 HA ARG A 49 22.628 -8.750 -5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 49 22.887 -6.385 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 49 22.884 -7.736 -3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 49 24.646 -7.769 -5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.149 -6.928 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 49 24.904 -9.010 -2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 49 24.335 -9.860 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 49 26.527 -10.085 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 49 26.341 -7.561 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 49 28.095 -7.374 -2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 49 28.775 -9.834 -4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 49 29.465 -8.654 -3.651 1.00 0.00 H new ATOM 756 N GLY A 50 20.519 -8.685 -3.200 1.00 0.00 N ATOM 757 CA GLY A 50 19.711 -9.545 -2.356 1.00 0.00 C ATOM 758 C GLY A 50 18.943 -8.769 -1.305 1.00 0.00 C ATOM 759 O GLY A 50 18.823 -9.211 -0.162 1.00 0.00 O ATOM 0 H GLY A 50 20.459 -7.691 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.009 -10.103 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.354 -10.276 -1.866 1.00 0.00 H new ATOM 763 N GLU A 51 18.423 -7.609 -1.691 1.00 0.00 N ATOM 764 CA GLU A 51 17.662 -6.768 -0.774 1.00 0.00 C ATOM 765 C GLU A 51 16.175 -7.100 -0.838 1.00 0.00 C ATOM 766 O GLU A 51 15.458 -6.979 0.155 1.00 0.00 O ATOM 767 CB GLU A 51 17.883 -5.290 -1.101 1.00 0.00 C ATOM 768 CG GLU A 51 19.210 -4.747 -0.594 1.00 0.00 C ATOM 769 CD GLU A 51 19.036 -3.677 0.466 1.00 0.00 C ATOM 770 OE1 GLU A 51 18.416 -3.972 1.510 1.00 0.00 O ATOM 771 OE2 GLU A 51 19.520 -2.546 0.254 1.00 0.00 O ATOM 0 H GLU A 51 18.515 -7.229 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 51 18.015 -6.965 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.833 -5.154 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.071 -4.705 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.801 -5.566 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.774 -4.335 -1.431 1.00 0.00 H new ATOM 778 N LEU A 52 15.716 -7.518 -2.013 1.00 0.00 N ATOM 779 CA LEU A 52 14.314 -7.866 -2.208 1.00 0.00 C ATOM 780 C LEU A 52 13.934 -9.081 -1.368 1.00 0.00 C ATOM 781 O LEU A 52 12.862 -9.120 -0.763 1.00 0.00 O ATOM 782 CB LEU A 52 14.036 -8.147 -3.686 1.00 0.00 C ATOM 783 CG LEU A 52 12.557 -8.183 -4.071 1.00 0.00 C ATOM 784 CD1 LEU A 52 11.946 -6.794 -3.972 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.387 -8.743 -5.475 1.00 0.00 C ATOM 0 H LEU A 52 16.296 -7.624 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 52 13.708 -7.019 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.533 -7.384 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.488 -9.103 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 52 12.035 -8.838 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.893 -6.839 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.036 -6.429 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.470 -6.117 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.328 -8.762 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.923 -8.113 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.788 -9.756 -5.514 1.00 0.00 H new ATOM 797 N GLU A 53 14.820 -10.071 -1.333 1.00 0.00 N ATOM 798 CA GLU A 53 14.577 -11.287 -0.567 1.00 0.00 C ATOM 799 C GLU A 53 14.588 -10.998 0.931 1.00 0.00 C ATOM 800 O GLU A 53 13.865 -11.631 1.701 1.00 0.00 O ATOM 801 CB GLU A 53 15.631 -12.345 -0.904 1.00 0.00 C ATOM 802 CG GLU A 53 15.050 -13.734 -1.119 1.00 0.00 C ATOM 803 CD GLU A 53 15.941 -14.830 -0.565 1.00 0.00 C ATOM 804 OE1 GLU A 53 17.056 -15.014 -1.097 1.00 0.00 O ATOM 805 OE2 GLU A 53 15.523 -15.502 0.400 1.00 0.00 O ATOM 0 H GLU A 53 15.713 -10.055 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 53 13.592 -11.667 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.165 -12.040 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.363 -12.387 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.071 -13.792 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.897 -13.899 -2.186 1.00 0.00 H new ATOM 812 N SER A 54 15.412 -10.038 1.336 1.00 0.00 N ATOM 813 CA SER A 54 15.517 -9.663 2.742 1.00 0.00 C ATOM 814 C SER A 54 14.316 -8.830 3.177 1.00 0.00 C ATOM 815 O SER A 54 13.928 -8.846 4.346 1.00 0.00 O ATOM 816 CB SER A 54 16.810 -8.883 2.988 1.00 0.00 C ATOM 817 OG SER A 54 17.916 -9.522 2.375 1.00 0.00 O ATOM 0 H SER A 54 16.017 -9.505 0.711 1.00 0.00 H new ATOM 0 HA SER A 54 15.533 -10.578 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.708 -7.871 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.986 -8.794 4.060 1.00 0.00 H new ATOM 0 HG SER A 54 18.001 -9.212 1.449 1.00 0.00 H new ATOM 823 N LEU A 55 13.731 -8.100 2.231 1.00 0.00 N ATOM 824 CA LEU A 55 12.574 -7.260 2.518 1.00 0.00 C ATOM 825 C LEU A 55 11.430 -8.085 3.100 1.00 0.00 C ATOM 826 O LEU A 55 10.988 -9.064 2.497 1.00 0.00 O ATOM 827 CB LEU A 55 12.109 -6.545 1.248 1.00 0.00 C ATOM 828 CG LEU A 55 12.862 -5.256 0.918 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.528 -4.789 -0.491 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.531 -4.172 1.933 1.00 0.00 C ATOM 0 H LEU A 55 14.040 -8.074 1.259 1.00 0.00 H new ATOM 0 HA LEU A 55 12.872 -6.516 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.208 -7.231 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.049 -6.313 1.348 1.00 0.00 H new ATOM 0 HG LEU A 55 13.932 -5.459 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.073 -3.870 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.815 -5.559 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.457 -4.602 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.075 -3.261 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.460 -3.971 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.820 -4.506 2.929 1.00 0.00 H new ATOM 842 N SER A 56 10.954 -7.683 4.273 1.00 0.00 N ATOM 843 CA SER A 56 9.861 -8.384 4.937 1.00 0.00 C ATOM 844 C SER A 56 8.548 -7.628 4.765 1.00 0.00 C ATOM 845 O SER A 56 8.516 -6.538 4.195 1.00 0.00 O ATOM 846 CB SER A 56 10.171 -8.561 6.425 1.00 0.00 C ATOM 847 OG SER A 56 10.687 -9.855 6.688 1.00 0.00 O ATOM 0 H SER A 56 11.308 -6.875 4.784 1.00 0.00 H new ATOM 0 HA SER A 56 9.757 -9.366 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.892 -7.807 6.742 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.265 -8.401 7.010 1.00 0.00 H new ATOM 0 HG SER A 56 10.879 -9.942 7.645 1.00 0.00 H new ATOM 853 N GLN A 57 7.463 -8.217 5.261 1.00 0.00 N ATOM 854 CA GLN A 57 6.146 -7.599 5.161 1.00 0.00 C ATOM 855 C GLN A 57 6.098 -6.290 5.943 1.00 0.00 C ATOM 856 O GLN A 57 5.406 -5.349 5.554 1.00 0.00 O ATOM 857 CB GLN A 57 5.070 -8.556 5.680 1.00 0.00 C ATOM 858 CG GLN A 57 3.723 -8.382 4.999 1.00 0.00 C ATOM 859 CD GLN A 57 2.987 -9.696 4.818 1.00 0.00 C ATOM 860 OE1 GLN A 57 2.430 -10.216 5.904 1.00 0.00 O flip ATOM 861 NE2 GLN A 57 2.921 -10.236 3.713 1.00 0.00 N flip ATOM 0 H GLN A 57 7.471 -9.120 5.735 1.00 0.00 H new ATOM 0 HA GLN A 57 5.953 -7.381 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.409 -9.582 5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.948 -8.405 6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.107 -7.703 5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.870 -7.915 4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.365 -9.800 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.423 -11.120 3.606 1.00 0.00 H new ATOM 870 N VAL A 58 6.836 -6.239 7.047 1.00 0.00 N ATOM 871 CA VAL A 58 6.877 -5.045 7.882 1.00 0.00 C ATOM 872 C VAL A 58 7.977 -4.092 7.426 1.00 0.00 C ATOM 873 O VAL A 58 7.765 -2.882 7.333 1.00 0.00 O ATOM 874 CB VAL A 58 7.106 -5.403 9.363 1.00 0.00 C ATOM 875 CG1 VAL A 58 6.951 -4.171 10.242 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.151 -6.503 9.799 1.00 0.00 C ATOM 0 H VAL A 58 7.413 -7.010 7.384 1.00 0.00 H new ATOM 0 HA VAL A 58 5.909 -4.554 7.779 1.00 0.00 H new ATOM 0 HB VAL A 58 8.125 -5.773 9.475 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.116 -4.444 11.284 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.680 -3.418 9.944 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.945 -3.767 10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.327 -6.743 10.848 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.123 -6.164 9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.318 -7.392 9.190 1.00 0.00 H new ATOM 886 N ASP A 59 9.151 -4.644 7.143 1.00 0.00 N ATOM 887 CA ASP A 59 10.286 -3.842 6.697 1.00 0.00 C ATOM 888 C ASP A 59 10.002 -3.210 5.338 1.00 0.00 C ATOM 889 O ASP A 59 10.461 -2.105 5.049 1.00 0.00 O ATOM 890 CB ASP A 59 11.546 -4.705 6.618 1.00 0.00 C ATOM 891 CG ASP A 59 12.290 -4.763 7.938 1.00 0.00 C ATOM 892 OD1 ASP A 59 13.017 -3.798 8.254 1.00 0.00 O ATOM 893 OD2 ASP A 59 12.145 -5.776 8.656 1.00 0.00 O ATOM 0 H ASP A 59 9.343 -5.643 7.214 1.00 0.00 H new ATOM 0 HA ASP A 59 10.445 -3.045 7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.273 -5.715 6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.208 -4.308 5.848 1.00 0.00 H new ATOM 898 N LEU A 60 9.245 -3.919 4.508 1.00 0.00 N ATOM 899 CA LEU A 60 8.901 -3.428 3.177 1.00 0.00 C ATOM 900 C LEU A 60 8.061 -2.158 3.265 1.00 0.00 C ATOM 901 O LEU A 60 8.350 -1.163 2.601 1.00 0.00 O ATOM 902 CB LEU A 60 8.144 -4.502 2.395 1.00 0.00 C ATOM 903 CG LEU A 60 7.691 -4.084 0.995 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.891 -3.907 0.077 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.725 -5.110 0.421 1.00 0.00 C ATOM 0 H LEU A 60 8.858 -4.835 4.732 1.00 0.00 H new ATOM 0 HA LEU A 60 9.827 -3.192 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.781 -5.382 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.267 -4.799 2.971 1.00 0.00 H new ATOM 0 HG LEU A 60 7.173 -3.128 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.550 -3.610 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.548 -3.136 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.437 -4.848 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.412 -4.798 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.219 -6.080 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.851 -5.189 1.068 1.00 0.00 H new ATOM 917 N ALA A 61 7.018 -2.200 4.089 1.00 0.00 N ATOM 918 CA ALA A 61 6.134 -1.053 4.263 1.00 0.00 C ATOM 919 C ALA A 61 6.908 0.169 4.746 1.00 0.00 C ATOM 920 O ALA A 61 6.547 1.306 4.443 1.00 0.00 O ATOM 921 CB ALA A 61 5.016 -1.392 5.237 1.00 0.00 C ATOM 0 H ALA A 61 6.765 -3.016 4.646 1.00 0.00 H new ATOM 0 HA ALA A 61 5.696 -0.813 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.364 -0.527 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.438 -2.231 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.444 -1.661 6.203 1.00 0.00 H new ATOM 927 N SER A 62 7.975 -0.073 5.502 1.00 0.00 N ATOM 928 CA SER A 62 8.800 1.007 6.028 1.00 0.00 C ATOM 929 C SER A 62 9.860 1.427 5.015 1.00 0.00 C ATOM 930 O SER A 62 10.259 2.590 4.964 1.00 0.00 O ATOM 931 CB SER A 62 9.469 0.576 7.334 1.00 0.00 C ATOM 932 OG SER A 62 9.896 1.700 8.085 1.00 0.00 O ATOM 0 H SER A 62 8.288 -1.008 5.763 1.00 0.00 H new ATOM 0 HA SER A 62 8.152 1.862 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.771 -0.016 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.323 -0.064 7.114 1.00 0.00 H new ATOM 0 HG SER A 62 10.319 1.397 8.916 1.00 0.00 H new ATOM 938 N LYS A 63 10.312 0.471 4.209 1.00 0.00 N ATOM 939 CA LYS A 63 11.325 0.741 3.196 1.00 0.00 C ATOM 940 C LYS A 63 10.779 1.666 2.112 1.00 0.00 C ATOM 941 O LYS A 63 11.499 2.515 1.586 1.00 0.00 O ATOM 942 CB LYS A 63 11.813 -0.570 2.572 1.00 0.00 C ATOM 943 CG LYS A 63 13.261 -0.897 2.900 1.00 0.00 C ATOM 944 CD LYS A 63 14.116 -0.978 1.644 1.00 0.00 C ATOM 945 CE LYS A 63 15.598 -0.891 1.972 1.00 0.00 C ATOM 946 NZ LYS A 63 16.242 -2.233 1.995 1.00 0.00 N ATOM 0 H LYS A 63 9.992 -0.497 4.238 1.00 0.00 H new ATOM 0 HA LYS A 63 12.165 1.239 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.178 -1.386 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.698 -0.513 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.664 -0.135 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.308 -1.846 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.912 -1.914 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.845 -0.170 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.097 -0.262 1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.727 -0.410 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.264 -2.130 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.082 -2.679 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.830 -2.829 1.249 1.00 0.00 H new ATOM 960 N LEU A 64 9.502 1.496 1.785 1.00 0.00 N ATOM 961 CA LEU A 64 8.860 2.315 0.764 1.00 0.00 C ATOM 962 C LEU A 64 8.813 3.779 1.189 1.00 0.00 C ATOM 963 O LEU A 64 9.043 4.678 0.382 1.00 0.00 O ATOM 964 CB LEU A 64 7.443 1.807 0.490 1.00 0.00 C ATOM 965 CG LEU A 64 7.363 0.399 -0.104 1.00 0.00 C ATOM 966 CD1 LEU A 64 5.918 0.020 -0.388 1.00 0.00 C ATOM 967 CD2 LEU A 64 8.199 0.308 -1.372 1.00 0.00 C ATOM 0 H LEU A 64 8.892 0.799 2.212 1.00 0.00 H new ATOM 0 HA LEU A 64 9.450 2.240 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.881 1.823 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.950 2.501 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 64 7.765 -0.305 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.881 -0.984 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.346 0.045 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.489 0.727 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.131 -0.700 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.827 1.023 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.239 0.535 -1.139 1.00 0.00 H new ATOM 979 N ILE A 65 8.513 4.010 2.463 1.00 0.00 N ATOM 980 CA ILE A 65 8.436 5.365 2.997 1.00 0.00 C ATOM 981 C ILE A 65 9.827 5.927 3.271 1.00 0.00 C ATOM 982 O ILE A 65 10.056 7.131 3.152 1.00 0.00 O ATOM 983 CB ILE A 65 7.612 5.412 4.297 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.289 4.665 4.114 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.361 6.853 4.714 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.572 4.379 5.416 1.00 0.00 C ATOM 0 H ILE A 65 8.319 3.276 3.145 1.00 0.00 H new ATOM 0 HA ILE A 65 7.942 5.975 2.241 1.00 0.00 H new ATOM 0 HB ILE A 65 8.179 4.920 5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.635 5.253 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.481 3.723 3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.777 6.869 5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.314 7.355 4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.811 7.369 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.643 3.848 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.208 3.765 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.349 5.318 5.922 1.00 0.00 H new ATOM 998 N SER A 66 10.753 5.049 3.640 1.00 0.00 N ATOM 999 CA SER A 66 12.122 5.457 3.932 1.00 0.00 C ATOM 1000 C SER A 66 12.884 5.763 2.646 1.00 0.00 C ATOM 1001 O SER A 66 13.773 6.616 2.629 1.00 0.00 O ATOM 1002 CB SER A 66 12.845 4.364 4.720 1.00 0.00 C ATOM 1003 OG SER A 66 14.042 4.858 5.296 1.00 0.00 O ATOM 0 H SER A 66 10.580 4.049 3.744 1.00 0.00 H new ATOM 0 HA SER A 66 12.084 6.364 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.191 3.983 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.073 3.527 4.061 1.00 0.00 H new ATOM 0 HG SER A 66 14.485 4.141 5.796 1.00 0.00 H new ATOM 1009 N MET A 67 12.533 5.062 1.574 1.00 0.00 N ATOM 1010 CA MET A 67 13.186 5.260 0.284 1.00 0.00 C ATOM 1011 C MET A 67 12.554 6.421 -0.475 1.00 0.00 C ATOM 1012 O MET A 67 13.214 7.417 -0.769 1.00 0.00 O ATOM 1013 CB MET A 67 13.105 3.982 -0.553 1.00 0.00 C ATOM 1014 CG MET A 67 14.193 2.972 -0.228 1.00 0.00 C ATOM 1015 SD MET A 67 14.355 1.695 -1.491 1.00 0.00 S ATOM 1016 CE MET A 67 12.722 0.963 -1.445 1.00 0.00 C ATOM 0 H MET A 67 11.801 4.352 1.572 1.00 0.00 H new ATOM 0 HA MET A 67 14.233 5.500 0.468 1.00 0.00 H new ATOM 0 HB2 MET A 67 12.131 3.517 -0.398 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.168 4.245 -1.609 1.00 0.00 H new ATOM 0 HG2 MET A 67 15.145 3.492 -0.118 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.973 2.503 0.731 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.810 -0.115 -1.309 1.00 0.00 H new ATOM 0 HE2 MET A 67 12.156 1.388 -0.616 1.00 0.00 H new ATOM 0 HE3 MET A 67 12.204 1.169 -2.382 1.00 0.00 H new ATOM 1026 N TYR A 68 11.269 6.285 -0.790 1.00 0.00 N ATOM 1027 CA TYR A 68 10.546 7.323 -1.515 1.00 0.00 C ATOM 1028 C TYR A 68 9.719 8.179 -0.561 1.00 0.00 C ATOM 1029 O TYR A 68 9.996 9.363 -0.375 1.00 0.00 O ATOM 1030 CB TYR A 68 9.639 6.696 -2.575 1.00 0.00 C ATOM 1031 CG TYR A 68 10.322 5.633 -3.406 1.00 0.00 C ATOM 1032 CD1 TYR A 68 10.359 4.311 -2.983 1.00 0.00 C ATOM 1033 CD2 TYR A 68 10.930 5.953 -4.613 1.00 0.00 C ATOM 1034 CE1 TYR A 68 10.982 3.337 -3.740 1.00 0.00 C ATOM 1035 CE2 TYR A 68 11.554 4.985 -5.376 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.577 3.679 -4.935 1.00 0.00 C ATOM 1037 OH TYR A 68 12.199 2.712 -5.691 1.00 0.00 O ATOM 0 H TYR A 68 10.708 5.466 -0.554 1.00 0.00 H new ATOM 0 HA TYR A 68 11.277 7.964 -2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.770 6.258 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.271 7.481 -3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.893 4.039 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.915 6.975 -4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 68 11.002 2.313 -3.397 1.00 0.00 H new ATOM 0 HE2 TYR A 68 12.021 5.250 -6.313 1.00 0.00 H new ATOM 0 HH TYR A 68 12.566 3.118 -6.504 1.00 0.00 H new ATOM 1047 N GLY A 69 8.704 7.569 0.041 1.00 0.00 N ATOM 1048 CA GLY A 69 7.851 8.289 0.969 1.00 0.00 C ATOM 1049 C GLY A 69 6.480 7.658 1.105 1.00 0.00 C ATOM 1050 O GLY A 69 6.112 6.782 0.323 1.00 0.00 O ATOM 0 H GLY A 69 8.456 6.589 -0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.331 8.323 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.741 9.320 0.632 1.00 0.00 H new ATOM 1054 N ALA A 70 5.722 8.103 2.102 1.00 0.00 N ATOM 1055 CA ALA A 70 4.383 7.576 2.338 1.00 0.00 C ATOM 1056 C ALA A 70 3.463 7.865 1.156 1.00 0.00 C ATOM 1057 O ALA A 70 2.538 7.103 0.876 1.00 0.00 O ATOM 1058 CB ALA A 70 3.803 8.161 3.617 1.00 0.00 C ATOM 0 H ALA A 70 6.012 8.827 2.759 1.00 0.00 H new ATOM 0 HA ALA A 70 4.459 6.494 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.803 7.759 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.442 7.898 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.747 9.246 3.528 1.00 0.00 H new ATOM 1064 N GLN A 71 3.722 8.972 0.468 1.00 0.00 N ATOM 1065 CA GLN A 71 2.915 9.362 -0.683 1.00 0.00 C ATOM 1066 C GLN A 71 3.100 8.381 -1.837 1.00 0.00 C ATOM 1067 O GLN A 71 2.127 7.873 -2.394 1.00 0.00 O ATOM 1068 CB GLN A 71 3.287 10.775 -1.137 1.00 0.00 C ATOM 1069 CG GLN A 71 3.345 11.784 -0.002 1.00 0.00 C ATOM 1070 CD GLN A 71 4.540 12.711 -0.106 1.00 0.00 C ATOM 1071 OE1 GLN A 71 5.289 12.671 -1.084 1.00 0.00 O ATOM 1072 NE2 GLN A 71 4.726 13.554 0.903 1.00 0.00 N ATOM 0 H GLN A 71 4.483 9.614 0.687 1.00 0.00 H new ATOM 0 HA GLN A 71 1.868 9.347 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.256 10.744 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.560 11.113 -1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.430 12.376 -0.000 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.383 11.253 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.081 13.553 1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.514 14.202 0.888 1.00 0.00 H new ATOM 1081 N GLU A 72 4.354 8.119 -2.189 1.00 0.00 N ATOM 1082 CA GLU A 72 4.667 7.199 -3.277 1.00 0.00 C ATOM 1083 C GLU A 72 4.574 5.748 -2.812 1.00 0.00 C ATOM 1084 O GLU A 72 4.318 4.846 -3.610 1.00 0.00 O ATOM 1085 CB GLU A 72 6.066 7.485 -3.827 1.00 0.00 C ATOM 1086 CG GLU A 72 6.112 7.609 -5.341 1.00 0.00 C ATOM 1087 CD GLU A 72 7.528 7.650 -5.880 1.00 0.00 C ATOM 1088 OE1 GLU A 72 8.292 6.699 -5.616 1.00 0.00 O ATOM 1089 OE2 GLU A 72 7.873 8.634 -6.568 1.00 0.00 O ATOM 0 H GLU A 72 5.170 8.531 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 72 3.934 7.352 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.440 8.408 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.740 6.687 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.582 6.768 -5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.586 8.514 -5.644 1.00 0.00 H new ATOM 1096 N ALA A 73 4.787 5.529 -1.518 1.00 0.00 N ATOM 1097 CA ALA A 73 4.731 4.187 -0.947 1.00 0.00 C ATOM 1098 C ALA A 73 3.400 3.508 -1.257 1.00 0.00 C ATOM 1099 O ALA A 73 3.346 2.297 -1.466 1.00 0.00 O ATOM 1100 CB ALA A 73 4.959 4.245 0.556 1.00 0.00 C ATOM 0 H ALA A 73 5.000 6.264 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 73 5.523 3.593 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.915 3.238 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.938 4.678 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.187 4.861 1.018 1.00 0.00 H new ATOM 1106 N VAL A 74 2.330 4.295 -1.284 1.00 0.00 N ATOM 1107 CA VAL A 74 1.001 3.766 -1.567 1.00 0.00 C ATOM 1108 C VAL A 74 0.783 3.597 -3.066 1.00 0.00 C ATOM 1109 O VAL A 74 0.039 2.716 -3.500 1.00 0.00 O ATOM 1110 CB VAL A 74 -0.101 4.682 -0.999 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.466 4.024 -1.137 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.190 5.028 0.454 1.00 0.00 C ATOM 0 H VAL A 74 2.357 5.300 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 74 0.939 2.792 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.111 5.608 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.231 4.685 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.673 3.833 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.473 3.082 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.598 5.675 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.229 4.113 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.148 5.544 0.520 1.00 0.00 H new ATOM 1122 N ARG A 75 1.434 4.444 -3.855 1.00 0.00 N ATOM 1123 CA ARG A 75 1.310 4.387 -5.308 1.00 0.00 C ATOM 1124 C ARG A 75 2.008 3.151 -5.867 1.00 0.00 C ATOM 1125 O ARG A 75 1.536 2.540 -6.826 1.00 0.00 O ATOM 1126 CB ARG A 75 1.897 5.650 -5.941 1.00 0.00 C ATOM 1127 CG ARG A 75 1.043 6.222 -7.060 1.00 0.00 C ATOM 1128 CD ARG A 75 1.849 7.142 -7.962 1.00 0.00 C ATOM 1129 NE ARG A 75 0.998 8.085 -8.683 1.00 0.00 N ATOM 1130 CZ ARG A 75 1.379 8.743 -9.776 1.00 0.00 C ATOM 1131 NH1 ARG A 75 2.596 8.564 -10.276 1.00 0.00 N ATOM 1132 NH2 ARG A 75 0.542 9.581 -10.371 1.00 0.00 N ATOM 0 H ARG A 75 2.053 5.179 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 75 0.250 4.325 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.024 6.408 -5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.889 5.423 -6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.623 5.408 -7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.204 6.772 -6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.574 7.693 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.415 6.544 -8.677 1.00 0.00 H new ATOM 0 HE ARG A 75 0.056 8.249 -8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.244 7.920 -9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.883 9.071 -11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.394 9.722 -9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.834 10.085 -11.208 1.00 0.00 H new ATOM 1146 N VAL A 76 3.135 2.789 -5.262 1.00 0.00 N ATOM 1147 CA VAL A 76 3.899 1.627 -5.700 1.00 0.00 C ATOM 1148 C VAL A 76 3.074 0.349 -5.577 1.00 0.00 C ATOM 1149 O VAL A 76 3.079 -0.493 -6.475 1.00 0.00 O ATOM 1150 CB VAL A 76 5.197 1.469 -4.885 1.00 0.00 C ATOM 1151 CG1 VAL A 76 6.054 0.348 -5.452 1.00 0.00 C ATOM 1152 CG2 VAL A 76 5.972 2.778 -4.853 1.00 0.00 C ATOM 0 H VAL A 76 3.539 3.284 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 76 4.155 1.791 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 76 4.929 1.207 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.966 0.253 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.498 -0.589 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.313 0.575 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.885 2.646 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.228 3.074 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.359 3.553 -4.393 1.00 0.00 H new ATOM 1162 N VAL A 77 2.369 0.211 -4.459 1.00 0.00 N ATOM 1163 CA VAL A 77 1.541 -0.964 -4.219 1.00 0.00 C ATOM 1164 C VAL A 77 0.369 -1.021 -5.193 1.00 0.00 C ATOM 1165 O VAL A 77 0.025 -2.086 -5.703 1.00 0.00 O ATOM 1166 CB VAL A 77 0.998 -0.983 -2.778 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.292 -2.299 -2.488 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.122 -0.743 -1.781 1.00 0.00 C ATOM 0 H VAL A 77 2.355 0.898 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 77 2.178 -1.835 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 77 0.271 -0.178 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.084 -2.292 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.541 -2.425 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.994 -3.123 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.720 -0.760 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.874 -1.525 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.578 0.228 -1.974 1.00 0.00 H new ATOM 1178 N SER A 78 -0.241 0.133 -5.446 1.00 0.00 N ATOM 1179 CA SER A 78 -1.375 0.213 -6.359 1.00 0.00 C ATOM 1180 C SER A 78 -0.980 -0.247 -7.758 1.00 0.00 C ATOM 1181 O SER A 78 -1.798 -0.797 -8.496 1.00 0.00 O ATOM 1182 CB SER A 78 -1.914 1.643 -6.412 1.00 0.00 C ATOM 1183 OG SER A 78 -3.330 1.652 -6.477 1.00 0.00 O ATOM 0 H SER A 78 0.031 1.025 -5.032 1.00 0.00 H new ATOM 0 HA SER A 78 -2.157 -0.448 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.584 2.192 -5.530 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.504 2.158 -7.281 1.00 0.00 H new ATOM 0 HG SER A 78 -3.650 2.578 -6.508 1.00 0.00 H new ATOM 1189 N ARG A 79 0.279 -0.020 -8.118 1.00 0.00 N ATOM 1190 CA ARG A 79 0.783 -0.412 -9.429 1.00 0.00 C ATOM 1191 C ARG A 79 1.107 -1.902 -9.465 1.00 0.00 C ATOM 1192 O ARG A 79 0.985 -2.548 -10.505 1.00 0.00 O ATOM 1193 CB ARG A 79 2.029 0.401 -9.784 1.00 0.00 C ATOM 1194 CG ARG A 79 1.871 1.895 -9.544 1.00 0.00 C ATOM 1195 CD ARG A 79 1.740 2.660 -10.852 1.00 0.00 C ATOM 1196 NE ARG A 79 0.710 2.091 -11.718 1.00 0.00 N ATOM 1197 CZ ARG A 79 0.145 2.749 -12.729 1.00 0.00 C ATOM 1198 NH1 ARG A 79 0.508 3.995 -13.004 1.00 0.00 N ATOM 1199 NH2 ARG A 79 -0.785 2.157 -13.466 1.00 0.00 N ATOM 0 H ARG A 79 0.969 0.434 -7.520 1.00 0.00 H new ATOM 0 HA ARG A 79 0.004 -0.210 -10.164 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.871 0.034 -9.197 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.275 0.234 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.990 2.074 -8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.731 2.268 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.500 3.702 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.697 2.653 -11.374 1.00 0.00 H new ATOM 0 HE ARG A 79 0.406 1.134 -11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.223 4.454 -12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.072 4.494 -13.779 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.067 1.199 -13.258 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.218 2.660 -14.240 1.00 0.00 H new ATOM 1213 N SER A 80 1.521 -2.440 -8.322 1.00 0.00 N ATOM 1214 CA SER A 80 1.862 -3.853 -8.222 1.00 0.00 C ATOM 1215 C SER A 80 0.605 -4.715 -8.155 1.00 0.00 C ATOM 1216 O SER A 80 0.595 -5.852 -8.624 1.00 0.00 O ATOM 1217 CB SER A 80 2.732 -4.104 -6.989 1.00 0.00 C ATOM 1218 OG SER A 80 3.721 -5.083 -7.251 1.00 0.00 O ATOM 0 H SER A 80 1.628 -1.918 -7.452 1.00 0.00 H new ATOM 0 HA SER A 80 2.422 -4.128 -9.116 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.210 -3.174 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.105 -4.429 -6.159 1.00 0.00 H new ATOM 0 HG SER A 80 4.158 -5.339 -6.412 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.452 -4.164 -7.568 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.716 -4.881 -7.440 1.00 0.00 C ATOM 1226 C LEU A 81 -2.344 -5.128 -8.807 1.00 0.00 C ATOM 1227 O LEU A 81 -2.929 -6.183 -9.051 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.685 -4.095 -6.554 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.313 -4.046 -5.072 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -3.150 -3.002 -4.346 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.494 -5.414 -4.433 1.00 0.00 C ATOM 0 H LEU A 81 -0.459 -3.223 -7.173 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.511 -5.846 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.751 -3.074 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.678 -4.534 -6.649 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.264 -3.763 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.872 -2.981 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.972 -2.022 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.206 -3.255 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.225 -5.361 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.535 -5.725 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.853 -6.138 -4.935 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.219 -4.148 -9.696 1.00 0.00 N ATOM 1244 CA LEU A 82 -2.775 -4.259 -11.040 1.00 0.00 C ATOM 1245 C LEU A 82 -2.168 -5.444 -11.784 1.00 0.00 C ATOM 1246 O LEU A 82 -2.836 -6.091 -12.590 1.00 0.00 O ATOM 1247 CB LEU A 82 -2.529 -2.969 -11.824 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.216 -1.726 -11.260 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -2.709 -0.472 -11.954 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -4.726 -1.842 -11.403 1.00 0.00 C ATOM 0 H LEU A 82 -1.738 -3.268 -9.510 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.849 -4.422 -10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.455 -2.785 -11.863 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.865 -3.116 -12.850 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.974 -1.651 -10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.210 0.402 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.634 -0.381 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.919 -0.537 -13.022 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.200 -0.948 -10.996 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.985 -1.942 -12.457 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.077 -2.718 -10.858 1.00 0.00 H new ATOM 1262 N ALA A 83 -0.899 -5.725 -11.506 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.203 -6.833 -12.149 1.00 0.00 C ATOM 1264 C ALA A 83 -0.866 -8.164 -11.814 1.00 0.00 C ATOM 1265 O ALA A 83 -0.931 -9.064 -12.652 1.00 0.00 O ATOM 1266 CB ALA A 83 1.260 -6.849 -11.731 1.00 0.00 C ATOM 0 H ALA A 83 -0.332 -5.201 -10.840 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.260 -6.690 -13.228 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.768 -7.681 -12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.733 -5.912 -12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.328 -6.965 -10.649 1.00 0.00 H new ATOM 1272 N MET A 84 -1.357 -8.283 -10.585 1.00 0.00 N ATOM 1273 CA MET A 84 -2.016 -9.505 -10.139 1.00 0.00 C ATOM 1274 C MET A 84 -3.537 -9.358 -10.161 1.00 0.00 C ATOM 1275 O MET A 84 -4.262 -10.291 -9.816 1.00 0.00 O ATOM 1276 CB MET A 84 -1.549 -9.874 -8.730 1.00 0.00 C ATOM 1277 CG MET A 84 -0.037 -9.929 -8.585 1.00 0.00 C ATOM 1278 SD MET A 84 0.511 -11.277 -7.521 1.00 0.00 S ATOM 1279 CE MET A 84 -0.277 -10.832 -5.976 1.00 0.00 C ATOM 0 H MET A 84 -1.311 -7.548 -9.880 1.00 0.00 H new ATOM 0 HA MET A 84 -1.742 -10.302 -10.830 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.947 -9.147 -8.022 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.967 -10.844 -8.460 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.415 -10.043 -9.571 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.320 -8.983 -8.178 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.017 -11.564 -5.211 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.064 -9.845 -5.665 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.359 -10.816 -6.110 1.00 0.00 H new ATOM 1289 N ASN A 85 -4.020 -8.185 -10.568 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.455 -7.929 -10.629 1.00 0.00 C ATOM 1291 C ASN A 85 -6.079 -7.990 -9.239 1.00 0.00 C ATOM 1292 O ASN A 85 -6.592 -9.028 -8.823 1.00 0.00 O ATOM 1293 CB ASN A 85 -6.137 -8.939 -11.553 1.00 0.00 C ATOM 1294 CG ASN A 85 -7.276 -8.325 -12.343 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -7.109 -7.949 -13.503 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -8.442 -8.218 -11.716 1.00 0.00 N ATOM 0 H ASN A 85 -3.438 -7.399 -10.860 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.602 -6.926 -11.029 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.400 -9.350 -12.243 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.517 -9.771 -10.960 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.244 -7.811 -12.197 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.535 -8.543 -10.754 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.031 -6.869 -8.526 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.593 -6.794 -7.182 1.00 0.00 C ATOM 1305 C LEU A 86 -7.192 -5.416 -6.920 1.00 0.00 C ATOM 1306 O LEU A 86 -6.577 -4.575 -6.263 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.517 -7.102 -6.139 1.00 0.00 C ATOM 1308 CG LEU A 86 -4.780 -8.427 -6.342 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.515 -8.468 -5.499 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -5.688 -9.600 -6.001 1.00 0.00 C ATOM 0 H LEU A 86 -5.609 -6.001 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.387 -7.537 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.787 -6.293 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.980 -7.109 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.496 -8.506 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.004 -9.418 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.857 -7.649 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.776 -8.367 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.147 -10.534 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.002 -9.526 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.566 -9.581 -6.647 1.00 0.00 H new ATOM 1322 N MET A 87 -8.394 -5.190 -7.439 1.00 0.00 N ATOM 1323 CA MET A 87 -9.077 -3.913 -7.262 1.00 0.00 C ATOM 1324 C MET A 87 -9.477 -3.701 -5.805 1.00 0.00 C ATOM 1325 O MET A 87 -9.657 -2.567 -5.361 1.00 0.00 O ATOM 1326 CB MET A 87 -10.316 -3.846 -8.157 1.00 0.00 C ATOM 1327 CG MET A 87 -10.013 -3.405 -9.580 1.00 0.00 C ATOM 1328 SD MET A 87 -11.223 -2.228 -10.216 1.00 0.00 S ATOM 1329 CE MET A 87 -10.203 -0.769 -10.413 1.00 0.00 C ATOM 0 H MET A 87 -8.916 -5.875 -7.986 1.00 0.00 H new ATOM 0 HA MET A 87 -8.386 -3.120 -7.547 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.790 -4.827 -8.182 1.00 0.00 H new ATOM 0 HB3 MET A 87 -11.036 -3.156 -7.717 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.021 -2.954 -9.613 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.987 -4.280 -10.230 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.810 0.050 -10.800 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.784 -0.485 -9.448 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.394 -0.982 -11.111 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.618 -4.797 -5.064 1.00 0.00 N ATOM 1340 CA GLU A 88 -9.999 -4.727 -3.657 1.00 0.00 C ATOM 1341 C GLU A 88 -9.056 -3.812 -2.877 1.00 0.00 C ATOM 1342 O GLU A 88 -9.464 -2.761 -2.385 1.00 0.00 O ATOM 1343 CB GLU A 88 -9.999 -6.128 -3.038 1.00 0.00 C ATOM 1344 CG GLU A 88 -11.394 -6.682 -2.791 1.00 0.00 C ATOM 1345 CD GLU A 88 -11.503 -8.156 -3.128 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -11.788 -8.478 -4.301 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -11.304 -8.989 -2.220 1.00 0.00 O ATOM 0 H GLU A 88 -9.474 -5.744 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.005 -4.310 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.458 -6.808 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.456 -6.099 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.661 -6.531 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.114 -6.122 -3.388 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.796 -4.221 -2.771 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.798 -3.437 -2.053 1.00 0.00 C ATOM 1356 C LEU A 89 -6.618 -2.064 -2.693 1.00 0.00 C ATOM 1357 O LEU A 89 -6.451 -1.061 -1.998 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.461 -4.180 -2.024 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.301 -5.184 -0.881 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -4.050 -6.025 -1.081 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.252 -4.461 0.457 1.00 0.00 C ATOM 0 H LEU A 89 -7.442 -5.089 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.150 -3.296 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.335 -4.707 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.657 -3.447 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.164 -5.849 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.953 -6.733 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.124 -6.570 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.175 -5.375 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.138 -5.189 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.407 -3.773 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.176 -3.902 0.603 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.655 -2.026 -4.020 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.495 -0.777 -4.754 1.00 0.00 C ATOM 1375 C VAL A 90 -7.629 0.194 -4.436 1.00 0.00 C ATOM 1376 O VAL A 90 -7.433 1.408 -4.420 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.453 -1.019 -6.276 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.135 0.272 -7.015 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.437 -2.100 -6.617 1.00 0.00 C ATOM 0 H VAL A 90 -6.795 -2.847 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.547 -0.343 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.437 -1.361 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.110 0.080 -8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.903 1.015 -6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.164 0.647 -6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.421 -2.257 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.448 -1.789 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.713 -3.029 -6.119 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.815 -0.352 -4.186 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.980 0.464 -3.869 1.00 0.00 C ATOM 1391 C ASP A 91 -9.829 1.128 -2.503 1.00 0.00 C ATOM 1392 O ASP A 91 -10.338 2.224 -2.275 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.250 -0.390 -3.899 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.080 -0.150 -5.145 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.842 0.840 -5.168 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -11.966 -0.950 -6.098 1.00 0.00 O ATOM 0 H ASP A 91 -8.994 -1.356 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.059 1.247 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.977 -1.444 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.852 -0.171 -3.017 1.00 0.00 H new ATOM 1401 N TYR A 92 -9.125 0.454 -1.599 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.908 0.980 -0.255 1.00 0.00 C ATOM 1403 C TYR A 92 -7.750 1.972 -0.239 1.00 0.00 C ATOM 1404 O TYR A 92 -7.792 2.978 0.470 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.629 -0.162 0.723 1.00 0.00 C ATOM 1406 CG TYR A 92 -8.621 0.270 2.172 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -9.809 0.492 2.856 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -7.425 0.455 2.855 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -9.806 0.888 4.181 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -7.414 0.850 4.179 1.00 0.00 C ATOM 1411 CZ TYR A 92 -8.606 1.065 4.837 1.00 0.00 C ATOM 1412 OH TYR A 92 -8.600 1.459 6.155 1.00 0.00 O ATOM 0 H TYR A 92 -8.696 -0.455 -1.772 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.814 1.501 0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.383 -0.937 0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.665 -0.609 0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.750 0.353 2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.489 0.287 2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.738 1.058 4.699 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.476 0.990 4.696 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.428 1.165 6.588 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.717 1.684 -1.023 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.548 2.552 -1.099 1.00 0.00 C ATOM 1424 C LEU A 93 -5.860 3.819 -1.889 1.00 0.00 C ATOM 1425 O LEU A 93 -5.295 4.881 -1.627 1.00 0.00 O ATOM 1426 CB LEU A 93 -4.377 1.810 -1.743 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.916 0.557 -0.998 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.855 -0.181 -1.799 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -3.388 0.922 0.382 1.00 0.00 C ATOM 0 H LEU A 93 -6.666 0.855 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.273 2.838 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.659 1.528 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.534 2.496 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.773 -0.105 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.539 -1.070 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.267 -0.476 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.997 0.473 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.064 0.018 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.544 1.604 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.177 1.406 0.957 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.764 3.700 -2.857 1.00 0.00 N ATOM 1442 CA ASN A 94 -7.151 4.836 -3.686 1.00 0.00 C ATOM 1443 C ASN A 94 -7.735 5.958 -2.832 1.00 0.00 C ATOM 1444 O ASN A 94 -7.374 7.124 -2.989 1.00 0.00 O ATOM 1445 CB ASN A 94 -8.166 4.399 -4.745 1.00 0.00 C ATOM 1446 CG ASN A 94 -7.589 4.431 -6.146 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -8.253 4.850 -7.094 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -6.345 3.985 -6.285 1.00 0.00 N ATOM 0 H ASN A 94 -7.242 2.829 -3.086 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.258 5.213 -4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.510 3.390 -4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.038 5.051 -4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.904 3.981 -7.205 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -5.831 3.647 -5.472 1.00 0.00 H new ATOM 1455 N GLN A 95 -8.641 5.597 -1.929 1.00 0.00 N ATOM 1456 CA GLN A 95 -9.275 6.574 -1.050 1.00 0.00 C ATOM 1457 C GLN A 95 -8.238 7.295 -0.197 1.00 0.00 C ATOM 1458 O GLN A 95 -8.257 8.521 -0.082 1.00 0.00 O ATOM 1459 CB GLN A 95 -10.305 5.887 -0.151 1.00 0.00 C ATOM 1460 CG GLN A 95 -11.611 5.563 -0.857 1.00 0.00 C ATOM 1461 CD GLN A 95 -12.574 4.790 0.023 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -12.537 3.560 0.072 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -13.442 5.509 0.725 1.00 0.00 N ATOM 0 H GLN A 95 -8.953 4.636 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.780 7.312 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.875 4.965 0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.514 6.530 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.084 6.490 -1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.400 4.983 -1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.437 6.526 0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.114 5.044 1.336 1.00 0.00 H new ATOM 1472 N VAL A 96 -7.331 6.527 0.399 1.00 0.00 N ATOM 1473 CA VAL A 96 -6.286 7.093 1.241 1.00 0.00 C ATOM 1474 C VAL A 96 -5.184 7.728 0.399 1.00 0.00 C ATOM 1475 O VAL A 96 -4.461 7.035 -0.317 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.662 6.024 2.159 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -4.720 6.667 3.166 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.749 5.229 2.867 1.00 0.00 C ATOM 0 H VAL A 96 -7.300 5.511 0.314 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.758 7.859 1.856 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.083 5.336 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.289 5.896 3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.922 7.187 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.273 7.379 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.290 4.479 3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.357 5.902 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.379 4.736 2.127 1.00 0.00 H new ATOM 1488 N CYS A 97 -5.063 9.048 0.490 1.00 0.00 N ATOM 1489 CA CYS A 97 -4.049 9.775 -0.266 1.00 0.00 C ATOM 1490 C CYS A 97 -3.303 10.757 0.632 1.00 0.00 C ATOM 1491 O CYS A 97 -2.157 10.517 1.015 1.00 0.00 O ATOM 1492 CB CYS A 97 -4.693 10.520 -1.436 1.00 0.00 C ATOM 1493 SG CYS A 97 -4.599 9.641 -3.012 1.00 0.00 S ATOM 0 H CYS A 97 -5.653 9.636 1.079 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.332 9.052 -0.656 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -5.740 10.709 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -4.210 11.491 -1.544 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.172 10.350 -3.939 1.00 0.00 H new ATOM 1499 N LEU A 98 -3.958 11.865 0.964 1.00 0.00 N ATOM 1500 CA LEU A 98 -3.355 12.883 1.816 1.00 0.00 C ATOM 1501 C LEU A 98 -2.088 13.444 1.177 1.00 0.00 C ATOM 1502 O LEU A 98 -0.976 13.166 1.627 1.00 0.00 O ATOM 1503 CB LEU A 98 -3.035 12.300 3.195 1.00 0.00 C ATOM 1504 CG LEU A 98 -4.073 12.594 4.278 1.00 0.00 C ATOM 1505 CD1 LEU A 98 -4.153 11.442 5.268 1.00 0.00 C ATOM 1506 CD2 LEU A 98 -3.739 13.894 4.997 1.00 0.00 C ATOM 0 H LEU A 98 -4.906 12.080 0.656 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.071 13.697 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.927 11.219 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.071 12.689 3.522 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.047 12.704 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.897 11.669 6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.439 10.530 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.181 11.300 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.488 14.088 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.756 13.811 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.733 14.715 4.280 1.00 0.00 H new ATOM 1518 N ASN A 99 -2.264 14.237 0.124 1.00 0.00 N ATOM 1519 CA ASN A 99 -1.137 14.838 -0.578 1.00 0.00 C ATOM 1520 C ASN A 99 -1.119 16.351 -0.386 1.00 0.00 C ATOM 1521 O ASN A 99 -1.634 17.097 -1.218 1.00 0.00 O ATOM 1522 CB ASN A 99 -1.199 14.502 -2.068 1.00 0.00 C ATOM 1523 CG ASN A 99 -1.266 13.008 -2.322 1.00 0.00 C ATOM 1524 OD1 ASN A 99 -2.348 12.427 -2.387 1.00 0.00 O ATOM 1525 ND2 ASN A 99 -0.106 12.380 -2.465 1.00 0.00 N ATOM 0 H ASN A 99 -3.177 14.478 -0.261 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.219 14.426 -0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -2.072 14.982 -2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.322 14.914 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.088 11.375 -2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.768 12.903 -2.403 1.00 0.00 H new ATOM 1532 N ASP A 100 -0.525 16.795 0.716 1.00 0.00 N ATOM 1533 CA ASP A 100 -0.441 18.221 1.017 1.00 0.00 C ATOM 1534 C ASP A 100 0.959 18.754 0.729 1.00 0.00 C ATOM 1535 O ASP A 100 1.430 19.679 1.391 1.00 0.00 O ATOM 1536 CB ASP A 100 -0.807 18.477 2.480 1.00 0.00 C ATOM 1537 CG ASP A 100 0.117 17.756 3.442 1.00 0.00 C ATOM 1538 OD1 ASP A 100 0.391 16.558 3.218 1.00 0.00 O ATOM 1539 OD2 ASP A 100 0.568 18.390 4.420 1.00 0.00 O ATOM 0 H ASP A 100 -0.095 16.190 1.415 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.150 18.746 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.770 19.548 2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.833 18.155 2.657 1.00 0.00 H new ATOM 1544 N TYR A 101 1.618 18.165 -0.263 1.00 0.00 N ATOM 1545 CA TYR A 101 2.965 18.581 -0.640 1.00 0.00 C ATOM 1546 C TYR A 101 2.957 19.279 -1.996 1.00 0.00 C ATOM 1547 O TYR A 101 3.926 19.200 -2.751 1.00 0.00 O ATOM 1548 CB TYR A 101 3.902 17.372 -0.676 1.00 0.00 C ATOM 1549 CG TYR A 101 5.062 17.474 0.289 1.00 0.00 C ATOM 1550 CD1 TYR A 101 6.092 18.383 0.073 1.00 0.00 C ATOM 1551 CD2 TYR A 101 5.127 16.663 1.415 1.00 0.00 C ATOM 1552 CE1 TYR A 101 7.154 18.478 0.953 1.00 0.00 C ATOM 1553 CE2 TYR A 101 6.186 16.754 2.299 1.00 0.00 C ATOM 1554 CZ TYR A 101 7.196 17.662 2.064 1.00 0.00 C ATOM 1555 OH TYR A 101 8.252 17.755 2.941 1.00 0.00 O ATOM 0 H TYR A 101 1.242 17.398 -0.821 1.00 0.00 H new ATOM 0 HA TYR A 101 3.326 19.287 0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.330 16.473 -0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.291 17.255 -1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.062 19.024 -0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.338 15.950 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.947 19.188 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.222 16.116 3.170 1.00 0.00 H new ATOM 0 HH TYR A 101 8.129 17.112 3.670 1.00 0.00 H new ATOM 1565 N ARG A 102 1.858 19.963 -2.298 1.00 0.00 N ATOM 1566 CA ARG A 102 1.723 20.674 -3.563 1.00 0.00 C ATOM 1567 C ARG A 102 2.447 22.017 -3.511 1.00 0.00 C ATOM 1568 O ARG A 102 2.188 22.839 -2.631 1.00 0.00 O ATOM 1569 CB ARG A 102 0.244 20.886 -3.898 1.00 0.00 C ATOM 1570 CG ARG A 102 -0.182 20.236 -5.204 1.00 0.00 C ATOM 1571 CD ARG A 102 -1.380 20.944 -5.814 1.00 0.00 C ATOM 1572 NE ARG A 102 -1.047 22.293 -6.267 1.00 0.00 N ATOM 1573 CZ ARG A 102 -1.952 23.238 -6.511 1.00 0.00 C ATOM 1574 NH1 ARG A 102 -3.245 22.987 -6.346 1.00 0.00 N ATOM 1575 NH2 ARG A 102 -1.564 24.438 -6.919 1.00 0.00 N ATOM 0 H ARG A 102 1.048 20.040 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 102 2.180 20.067 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.365 20.486 -3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.042 21.956 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.650 20.253 -5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.428 19.189 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.756 20.362 -6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.183 20.996 -5.079 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.063 22.524 -6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.550 22.066 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.934 23.715 -6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.572 24.637 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.258 25.162 -7.106 1.00 0.00 H new ATOM 1589 N GLU A 103 3.353 22.232 -4.459 1.00 0.00 N ATOM 1590 CA GLU A 103 4.113 23.475 -4.520 1.00 0.00 C ATOM 1591 C GLU A 103 4.570 23.763 -5.947 1.00 0.00 C ATOM 1592 O GLU A 103 5.346 23.004 -6.526 1.00 0.00 O ATOM 1593 CB GLU A 103 5.325 23.402 -3.589 1.00 0.00 C ATOM 1594 CG GLU A 103 5.817 24.763 -3.126 1.00 0.00 C ATOM 1595 CD GLU A 103 7.214 24.709 -2.539 1.00 0.00 C ATOM 1596 OE1 GLU A 103 7.352 24.289 -1.371 1.00 0.00 O ATOM 1597 OE2 GLU A 103 8.171 25.085 -3.248 1.00 0.00 O ATOM 0 H GLU A 103 3.579 21.562 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 103 3.462 24.287 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.067 22.802 -2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.137 22.886 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.807 25.455 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.128 25.160 -2.380 1.00 0.00 H new ATOM 1604 N ILE A 104 4.082 24.867 -6.507 1.00 0.00 N ATOM 1605 CA ILE A 104 4.441 25.256 -7.865 1.00 0.00 C ATOM 1606 C ILE A 104 5.630 26.212 -7.865 1.00 0.00 C ATOM 1607 O ILE A 104 5.606 27.251 -8.526 1.00 0.00 O ATOM 1608 CB ILE A 104 3.254 25.923 -8.588 1.00 0.00 C ATOM 1609 CG1 ILE A 104 2.670 27.045 -7.728 1.00 0.00 C ATOM 1610 CG2 ILE A 104 2.187 24.891 -8.919 1.00 0.00 C ATOM 1611 CD1 ILE A 104 1.718 27.949 -8.479 1.00 0.00 C ATOM 0 H ILE A 104 3.438 25.506 -6.041 1.00 0.00 H new ATOM 0 HA ILE A 104 4.714 24.345 -8.397 1.00 0.00 H new ATOM 0 HB ILE A 104 3.614 26.356 -9.521 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.147 26.606 -6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.486 27.645 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.356 25.378 -9.429 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.611 24.124 -9.567 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.828 24.431 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.343 28.721 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.242 28.417 -9.313 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.882 27.362 -8.859 1.00 0.00 H new ATOM 1623 N TYR A 105 6.671 25.852 -7.120 1.00 0.00 N ATOM 1624 CA TYR A 105 7.872 26.677 -7.031 1.00 0.00 C ATOM 1625 C TYR A 105 7.569 28.011 -6.355 1.00 0.00 C ATOM 1626 O TYR A 105 7.872 28.204 -5.178 1.00 0.00 O ATOM 1627 CB TYR A 105 8.460 26.914 -8.425 1.00 0.00 C ATOM 1628 CG TYR A 105 9.735 26.143 -8.684 1.00 0.00 C ATOM 1629 CD1 TYR A 105 9.706 24.777 -8.932 1.00 0.00 C ATOM 1630 CD2 TYR A 105 10.969 26.782 -8.681 1.00 0.00 C ATOM 1631 CE1 TYR A 105 10.869 24.068 -9.169 1.00 0.00 C ATOM 1632 CE2 TYR A 105 12.136 26.082 -8.917 1.00 0.00 C ATOM 1633 CZ TYR A 105 12.081 24.725 -9.160 1.00 0.00 C ATOM 1634 OH TYR A 105 13.242 24.024 -9.395 1.00 0.00 O ATOM 0 H TYR A 105 6.707 24.994 -6.569 1.00 0.00 H new ATOM 0 HA TYR A 105 8.604 26.144 -6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 105 7.719 26.636 -9.175 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.657 27.979 -8.551 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.758 24.259 -8.940 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.016 27.844 -8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.828 23.006 -9.360 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.087 26.594 -8.911 1.00 0.00 H new ATOM 0 HH TYR A 105 14.007 24.635 -9.355 1.00 0.00 H new ATOM 1644 N ARG A 106 6.969 28.928 -7.107 1.00 0.00 N ATOM 1645 CA ARG A 106 6.626 30.243 -6.580 1.00 0.00 C ATOM 1646 C ARG A 106 5.241 30.229 -5.942 1.00 0.00 C ATOM 1647 O ARG A 106 4.287 29.700 -6.514 1.00 0.00 O ATOM 1648 CB ARG A 106 6.678 31.291 -7.692 1.00 0.00 C ATOM 1649 CG ARG A 106 6.711 32.722 -7.180 1.00 0.00 C ATOM 1650 CD ARG A 106 6.230 33.703 -8.237 1.00 0.00 C ATOM 1651 NE ARG A 106 5.915 35.011 -7.667 1.00 0.00 N ATOM 1652 CZ ARG A 106 5.161 35.923 -8.277 1.00 0.00 C ATOM 1653 NH1 ARG A 106 4.645 35.675 -9.475 1.00 0.00 N ATOM 1654 NH2 ARG A 106 4.925 37.087 -7.688 1.00 0.00 N ATOM 0 H ARG A 106 6.710 28.784 -8.083 1.00 0.00 H new ATOM 0 HA ARG A 106 7.357 30.501 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.561 31.113 -8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.810 31.165 -8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.085 32.806 -6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.727 32.979 -6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.998 33.816 -9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.345 33.300 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 106 6.295 35.239 -6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.825 34.782 -9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.068 36.378 -9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.321 37.283 -6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.348 37.787 -8.154 1.00 0.00 H new ATOM 1668 N GLU A 107 5.136 30.815 -4.753 1.00 0.00 N ATOM 1669 CA GLU A 107 3.867 30.871 -4.037 1.00 0.00 C ATOM 1670 C GLU A 107 3.890 31.965 -2.975 1.00 0.00 C ATOM 1671 O GLU A 107 4.381 31.757 -1.865 1.00 0.00 O ATOM 1672 CB GLU A 107 3.564 29.516 -3.389 1.00 0.00 C ATOM 1673 CG GLU A 107 2.317 28.843 -3.939 1.00 0.00 C ATOM 1674 CD GLU A 107 1.086 29.127 -3.102 1.00 0.00 C ATOM 1675 OE1 GLU A 107 0.718 30.313 -2.970 1.00 0.00 O ATOM 1676 OE2 GLU A 107 0.488 28.162 -2.579 1.00 0.00 O ATOM 0 H GLU A 107 5.915 31.258 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 107 3.081 31.106 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.418 28.854 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.448 29.655 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.145 29.184 -4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.480 27.766 -3.986 1.00 0.00 H new ATOM 1683 N HIS A 108 3.356 33.132 -3.321 1.00 0.00 N ATOM 1684 CA HIS A 108 3.315 34.259 -2.396 1.00 0.00 C ATOM 1685 C HIS A 108 2.122 34.145 -1.453 1.00 0.00 C ATOM 1686 O HIS A 108 1.092 33.570 -1.806 1.00 0.00 O ATOM 1687 CB HIS A 108 3.251 35.579 -3.169 1.00 0.00 C ATOM 1688 CG HIS A 108 4.499 36.396 -3.061 1.00 0.00 C ATOM 1689 ND1 HIS A 108 5.334 36.381 -1.965 1.00 0.00 N ATOM 1690 CD2 HIS A 108 5.054 37.268 -3.941 1.00 0.00 C ATOM 1691 CE1 HIS A 108 6.346 37.225 -2.207 1.00 0.00 C ATOM 1692 NE2 HIS A 108 6.224 37.789 -3.394 1.00 0.00 N ATOM 0 H HIS A 108 2.946 33.322 -4.235 1.00 0.00 H new ATOM 0 HA HIS A 108 4.227 34.242 -1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.056 35.366 -4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 108 2.409 36.166 -2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 108 4.652 37.518 -4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 108 7.156 37.419 -1.520 1.00 0.00 H new ATOM 0 HE2 HIS A 108 6.856 38.466 -3.822 1.00 0.00 H new ATOM 1700 N VAL A 109 2.269 34.696 -0.252 1.00 0.00 N ATOM 1701 CA VAL A 109 1.202 34.656 0.742 1.00 0.00 C ATOM 1702 C VAL A 109 0.096 35.648 0.400 1.00 0.00 C ATOM 1703 O VAL A 109 0.252 36.486 -0.488 1.00 0.00 O ATOM 1704 CB VAL A 109 1.737 34.966 2.152 1.00 0.00 C ATOM 1705 CG1 VAL A 109 2.560 33.801 2.680 1.00 0.00 C ATOM 1706 CG2 VAL A 109 2.559 36.246 2.142 1.00 0.00 C ATOM 0 H VAL A 109 3.115 35.175 0.056 1.00 0.00 H new ATOM 0 HA VAL A 109 0.796 33.645 0.730 1.00 0.00 H new ATOM 0 HB VAL A 109 0.887 35.112 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.929 34.039 3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.937 32.908 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.404 33.620 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.929 36.449 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.403 36.131 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.935 37.076 1.810 1.00 0.00 H new ATOM 1716 N SER A 110 -1.022 35.547 1.111 1.00 0.00 N ATOM 1717 CA SER A 110 -2.155 36.436 0.883 1.00 0.00 C ATOM 1718 C SER A 110 -1.955 37.767 1.603 1.00 0.00 C ATOM 1719 O SER A 110 -1.496 37.804 2.744 1.00 0.00 O ATOM 1720 CB SER A 110 -3.452 35.774 1.355 1.00 0.00 C ATOM 1721 OG SER A 110 -4.432 35.786 0.333 1.00 0.00 O ATOM 0 H SER A 110 -1.168 34.859 1.850 1.00 0.00 H new ATOM 0 HA SER A 110 -2.224 36.631 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.250 34.746 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.832 36.296 2.233 1.00 0.00 H new ATOM 0 HG SER A 110 -5.250 35.356 0.659 1.00 0.00 H new ATOM 1727 N GLY A 111 -2.304 38.857 0.928 1.00 0.00 N ATOM 1728 CA GLY A 111 -2.157 40.174 1.518 1.00 0.00 C ATOM 1729 C GLY A 111 -2.100 41.275 0.473 1.00 0.00 C ATOM 1730 O GLY A 111 -1.291 41.209 -0.452 1.00 0.00 O ATOM 0 H GLY A 111 -2.686 38.852 -0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.992 40.361 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.248 40.200 2.119 1.00 0.00 H new ATOM 1734 N PRO A 112 -2.952 42.310 0.591 1.00 0.00 N ATOM 1735 CA PRO A 112 -2.977 43.422 -0.364 1.00 0.00 C ATOM 1736 C PRO A 112 -1.761 44.331 -0.227 1.00 0.00 C ATOM 1737 O PRO A 112 -1.142 44.402 0.835 1.00 0.00 O ATOM 1738 CB PRO A 112 -4.254 44.179 0.006 1.00 0.00 C ATOM 1739 CG PRO A 112 -4.464 43.879 1.449 1.00 0.00 C ATOM 1740 CD PRO A 112 -3.954 42.480 1.662 1.00 0.00 C ATOM 0 HA PRO A 112 -2.956 43.073 -1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.143 45.250 -0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -5.100 43.846 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.927 44.590 2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.519 43.954 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.509 42.361 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -4.755 41.745 1.583 1.00 0.00 H new ATOM 1748 N SER A 113 -1.422 45.027 -1.308 1.00 0.00 N ATOM 1749 CA SER A 113 -0.280 45.932 -1.309 1.00 0.00 C ATOM 1750 C SER A 113 -0.517 47.107 -2.252 1.00 0.00 C ATOM 1751 O SER A 113 -0.971 46.927 -3.381 1.00 0.00 O ATOM 1752 CB SER A 113 0.991 45.185 -1.716 1.00 0.00 C ATOM 1753 OG SER A 113 2.150 45.862 -1.263 1.00 0.00 O ATOM 0 H SER A 113 -1.923 44.981 -2.195 1.00 0.00 H new ATOM 0 HA SER A 113 -0.156 46.320 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 113 0.971 44.176 -1.303 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.026 45.085 -2.801 1.00 0.00 H new ATOM 0 HG SER A 113 2.948 45.362 -1.535 1.00 0.00 H new ATOM 1759 N SER A 114 -0.205 48.310 -1.780 1.00 0.00 N ATOM 1760 CA SER A 114 -0.385 49.515 -2.582 1.00 0.00 C ATOM 1761 C SER A 114 0.445 50.667 -2.026 1.00 0.00 C ATOM 1762 O SER A 114 0.588 50.813 -0.812 1.00 0.00 O ATOM 1763 CB SER A 114 -1.862 49.909 -2.625 1.00 0.00 C ATOM 1764 OG SER A 114 -2.684 48.783 -2.879 1.00 0.00 O ATOM 0 H SER A 114 0.173 48.476 -0.847 1.00 0.00 H new ATOM 0 HA SER A 114 -0.044 49.301 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 114 -2.148 50.365 -1.677 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.019 50.660 -3.400 1.00 0.00 H new ATOM 0 HG SER A 114 -2.197 48.142 -3.438 1.00 0.00 H new ATOM 1770 N GLY A 115 0.991 51.484 -2.922 1.00 0.00 N ATOM 1771 CA GLY A 115 1.799 52.612 -2.500 1.00 0.00 C ATOM 1772 C GLY A 115 3.280 52.381 -2.727 1.00 0.00 C ATOM 1773 O GLY A 115 4.086 52.836 -1.887 1.00 0.00 O ATOM 1774 OXT GLY A 115 3.634 51.746 -3.741 1.00 0.00 O ATOM 0 H GLY A 115 0.888 51.384 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 115 1.486 53.503 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.623 52.806 -1.442 1.00 0.00 H new TER 1778 GLY A 115