USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN : amide:sc= -0.22 K(o=-4.6,f=-6.5) USER MOD Set 1.2: A 88 MET CE :methyl 136:sc= -4.41! (180deg=-10.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 45:sc= 0.193 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -130:sc= -0.107 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -168:sc= -1.7 (180deg=-2.4!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc=-0.00654 X(o=-0.0065,f=0) USER MOD Single : A 31 THR OG1 : rot 54:sc= 0.494 USER MOD Single : A 32 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.165 F(o=-2.2!,f=-0.16) USER MOD Single : A 42 THR OG1 : rot 130:sc= -1.18 USER MOD Single : A 47 SER OG : rot -89:sc= 0.238 USER MOD Single : A 56 SER OG : rot 67:sc= 1.22 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -2.45 K(o=-2.4,f=-4.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -172:sc= 0.393 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -141:sc= -0.172 (180deg=-0.93) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -1.12 X(o=-1.1,f=-0.7) USER MOD Single : A 105 SER OG : rot -20:sc= 0.0893 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.431 8.179 -9.909 1.00 0.00 N ATOM 2 CA GLY A 1 20.285 8.585 -10.705 1.00 0.00 C ATOM 3 C GLY A 1 19.756 9.946 -10.249 1.00 0.00 C ATOM 4 O GLY A 1 19.561 10.173 -9.056 1.00 0.00 O ATOM 0 H1 GLY A 1 21.771 7.253 -10.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.190 8.883 -10.009 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.153 8.111 -8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.567 8.634 -11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.496 7.837 -10.621 1.00 0.00 H new ATOM 8 N SER A 2 19.538 10.817 -11.224 1.00 0.00 N ATOM 9 CA SER A 2 19.035 12.150 -10.938 1.00 0.00 C ATOM 10 C SER A 2 17.606 12.294 -11.466 1.00 0.00 C ATOM 11 O SER A 2 16.680 12.552 -10.699 1.00 0.00 O ATOM 12 CB SER A 2 19.938 13.222 -11.550 1.00 0.00 C ATOM 13 OG SER A 2 20.610 13.987 -10.553 1.00 0.00 O ATOM 0 H SER A 2 19.701 10.625 -12.213 1.00 0.00 H new ATOM 0 HA SER A 2 19.032 12.290 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.673 12.748 -12.200 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.340 13.886 -12.175 1.00 0.00 H new ATOM 0 HG SER A 2 21.178 14.659 -10.984 1.00 0.00 H new ATOM 19 N SER A 3 17.472 12.122 -12.773 1.00 0.00 N ATOM 20 CA SER A 3 16.172 12.230 -13.413 1.00 0.00 C ATOM 21 C SER A 3 15.359 10.958 -13.164 1.00 0.00 C ATOM 22 O SER A 3 15.813 10.054 -12.464 1.00 0.00 O ATOM 23 CB SER A 3 16.316 12.482 -14.915 1.00 0.00 C ATOM 24 OG SER A 3 17.010 13.696 -15.188 1.00 0.00 O ATOM 0 H SER A 3 18.243 11.909 -13.406 1.00 0.00 H new ATOM 0 HA SER A 3 15.647 13.081 -12.978 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.849 11.649 -15.373 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.328 12.518 -15.373 1.00 0.00 H new ATOM 0 HG SER A 3 17.083 13.820 -16.157 1.00 0.00 H new ATOM 30 N GLY A 4 14.171 10.928 -13.750 1.00 0.00 N ATOM 31 CA GLY A 4 13.291 9.782 -13.601 1.00 0.00 C ATOM 32 C GLY A 4 11.829 10.223 -13.502 1.00 0.00 C ATOM 33 O GLY A 4 11.532 11.281 -12.949 1.00 0.00 O ATOM 0 H GLY A 4 13.797 11.680 -14.329 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.415 9.111 -14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.567 9.221 -12.708 1.00 0.00 H new ATOM 37 N SER A 5 10.955 9.390 -14.047 1.00 0.00 N ATOM 38 CA SER A 5 9.531 9.680 -14.028 1.00 0.00 C ATOM 39 C SER A 5 8.734 8.408 -14.322 1.00 0.00 C ATOM 40 O SER A 5 7.920 7.979 -13.506 1.00 0.00 O ATOM 41 CB SER A 5 9.178 10.774 -15.038 1.00 0.00 C ATOM 42 OG SER A 5 9.021 12.045 -14.415 1.00 0.00 O ATOM 0 H SER A 5 11.205 8.514 -14.505 1.00 0.00 H new ATOM 0 HA SER A 5 9.269 10.043 -13.034 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.960 10.835 -15.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.256 10.507 -15.554 1.00 0.00 H new ATOM 0 HG SER A 5 9.749 12.188 -13.775 1.00 0.00 H new ATOM 48 N SER A 6 8.995 7.841 -15.490 1.00 0.00 N ATOM 49 CA SER A 6 8.312 6.627 -15.902 1.00 0.00 C ATOM 50 C SER A 6 8.611 5.497 -14.915 1.00 0.00 C ATOM 51 O SER A 6 9.600 5.551 -14.186 1.00 0.00 O ATOM 52 CB SER A 6 8.722 6.217 -17.318 1.00 0.00 C ATOM 53 OG SER A 6 7.658 6.381 -18.251 1.00 0.00 O ATOM 0 H SER A 6 9.671 8.200 -16.165 1.00 0.00 H new ATOM 0 HA SER A 6 7.240 6.823 -15.906 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.577 6.814 -17.635 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.044 5.176 -17.315 1.00 0.00 H new ATOM 0 HG SER A 6 7.960 6.110 -19.143 1.00 0.00 H new ATOM 59 N GLY A 7 7.738 4.500 -14.923 1.00 0.00 N ATOM 60 CA GLY A 7 7.897 3.359 -14.037 1.00 0.00 C ATOM 61 C GLY A 7 6.849 2.285 -14.335 1.00 0.00 C ATOM 62 O GLY A 7 5.945 2.500 -15.140 1.00 0.00 O ATOM 0 H GLY A 7 6.918 4.459 -15.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.896 2.940 -14.154 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.806 3.683 -13.000 1.00 0.00 H new ATOM 66 N TYR A 8 7.007 1.150 -13.669 1.00 0.00 N ATOM 67 CA TYR A 8 6.086 0.041 -13.851 1.00 0.00 C ATOM 68 C TYR A 8 5.205 -0.149 -12.615 1.00 0.00 C ATOM 69 O TYR A 8 5.676 -0.021 -11.487 1.00 0.00 O ATOM 70 CB TYR A 8 6.956 -1.203 -14.039 1.00 0.00 C ATOM 71 CG TYR A 8 7.950 -1.445 -12.901 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.502 -1.898 -11.678 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.296 -1.209 -13.099 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.437 -2.125 -10.607 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.231 -1.436 -12.029 1.00 0.00 C ATOM 76 CZ TYR A 8 9.756 -1.883 -10.835 1.00 0.00 C ATOM 77 OH TYR A 8 10.640 -2.098 -9.824 1.00 0.00 O ATOM 0 H TYR A 8 7.759 0.975 -13.003 1.00 0.00 H new ATOM 0 HA TYR A 8 5.429 0.224 -14.701 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.309 -2.075 -14.134 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.507 -1.111 -14.975 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.449 -2.083 -11.523 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.647 -0.854 -14.057 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.099 -2.479 -9.644 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.286 -1.256 -12.171 1.00 0.00 H new ATOM 0 HH TYR A 8 11.214 -1.311 -9.718 1.00 0.00 H new ATOM 87 N VAL A 9 3.940 -0.453 -12.870 1.00 0.00 N ATOM 88 CA VAL A 9 2.989 -0.662 -11.792 1.00 0.00 C ATOM 89 C VAL A 9 2.907 -2.156 -11.473 1.00 0.00 C ATOM 90 O VAL A 9 3.260 -2.992 -12.303 1.00 0.00 O ATOM 91 CB VAL A 9 1.635 -0.055 -12.164 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.651 -0.151 -10.997 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.793 1.395 -12.629 1.00 0.00 C ATOM 0 H VAL A 9 3.552 -0.559 -13.807 1.00 0.00 H new ATOM 0 HA VAL A 9 3.320 -0.154 -10.886 1.00 0.00 H new ATOM 0 HB VAL A 9 1.227 -0.631 -12.994 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.303 0.288 -11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.503 -1.198 -10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.051 0.388 -10.138 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.816 1.803 -12.887 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.233 1.988 -11.828 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.443 1.428 -13.504 1.00 0.00 H new ATOM 103 N PHE A 10 2.438 -2.446 -10.269 1.00 0.00 N ATOM 104 CA PHE A 10 2.304 -3.825 -9.830 1.00 0.00 C ATOM 105 C PHE A 10 1.118 -3.985 -8.877 1.00 0.00 C ATOM 106 O PHE A 10 0.897 -3.144 -8.008 1.00 0.00 O ATOM 107 CB PHE A 10 3.592 -4.184 -9.086 1.00 0.00 C ATOM 108 CG PHE A 10 3.716 -3.533 -7.707 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.232 -2.280 -7.590 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.310 -4.207 -6.597 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.347 -1.675 -6.310 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.425 -3.602 -5.318 1.00 0.00 C ATOM 113 CZ PHE A 10 3.941 -2.349 -5.201 1.00 0.00 C ATOM 0 H PHE A 10 2.146 -1.750 -9.583 1.00 0.00 H new ATOM 0 HA PHE A 10 2.135 -4.474 -10.689 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.643 -5.267 -8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.446 -3.887 -9.695 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.554 -1.745 -8.471 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.900 -5.202 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.757 -0.680 -6.218 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.102 -4.137 -4.437 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.028 -1.890 -4.228 1.00 0.00 H new ATOM 123 N THR A 11 0.384 -5.071 -9.074 1.00 0.00 N ATOM 124 CA THR A 11 -0.774 -5.352 -8.244 1.00 0.00 C ATOM 125 C THR A 11 -0.351 -6.080 -6.966 1.00 0.00 C ATOM 126 O THR A 11 0.751 -6.623 -6.893 1.00 0.00 O ATOM 127 CB THR A 11 -1.780 -6.139 -9.086 1.00 0.00 C ATOM 128 OG1 THR A 11 -2.174 -5.221 -10.103 1.00 0.00 O ATOM 129 CG2 THR A 11 -3.076 -6.433 -8.328 1.00 0.00 C ATOM 0 H THR A 11 0.570 -5.766 -9.797 1.00 0.00 H new ATOM 0 HA THR A 11 -1.255 -4.432 -7.913 1.00 0.00 H new ATOM 0 HB THR A 11 -1.328 -7.077 -9.409 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.825 -5.650 -10.696 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.755 -6.993 -8.971 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.852 -7.021 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.546 -5.495 -8.034 1.00 0.00 H new ATOM 137 N VAL A 12 -1.248 -6.068 -5.992 1.00 0.00 N ATOM 138 CA VAL A 12 -0.981 -6.721 -4.721 1.00 0.00 C ATOM 139 C VAL A 12 -2.250 -7.427 -4.239 1.00 0.00 C ATOM 140 O VAL A 12 -3.228 -6.775 -3.876 1.00 0.00 O ATOM 141 CB VAL A 12 -0.444 -5.703 -3.713 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.597 -6.341 -2.791 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.132 -4.477 -4.425 1.00 0.00 C ATOM 0 H VAL A 12 -2.160 -5.617 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.209 -7.482 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.279 -5.370 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.963 -5.596 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.142 -7.167 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.430 -6.715 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.507 -3.769 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.948 -4.786 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.648 -4.002 -5.019 1.00 0.00 H new ATOM 153 N GLU A 13 -2.193 -8.751 -4.251 1.00 0.00 N ATOM 154 CA GLU A 13 -3.325 -9.553 -3.820 1.00 0.00 C ATOM 155 C GLU A 13 -3.037 -10.189 -2.459 1.00 0.00 C ATOM 156 O GLU A 13 -2.228 -11.110 -2.359 1.00 0.00 O ATOM 157 CB GLU A 13 -3.671 -10.619 -4.861 1.00 0.00 C ATOM 158 CG GLU A 13 -4.466 -10.015 -6.021 1.00 0.00 C ATOM 159 CD GLU A 13 -4.709 -11.053 -7.118 1.00 0.00 C ATOM 160 OE1 GLU A 13 -5.635 -11.871 -6.931 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.963 -11.005 -8.120 1.00 0.00 O ATOM 0 H GLU A 13 -1.380 -9.288 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.191 -8.898 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.755 -11.073 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.251 -11.415 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.421 -9.637 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.924 -9.164 -6.434 1.00 0.00 H new ATOM 168 N LEU A 14 -3.716 -9.673 -1.444 1.00 0.00 N ATOM 169 CA LEU A 14 -3.543 -10.180 -0.093 1.00 0.00 C ATOM 170 C LEU A 14 -4.862 -10.783 0.393 1.00 0.00 C ATOM 171 O LEU A 14 -5.893 -10.641 -0.262 1.00 0.00 O ATOM 172 CB LEU A 14 -2.993 -9.085 0.823 1.00 0.00 C ATOM 173 CG LEU A 14 -1.761 -8.336 0.309 1.00 0.00 C ATOM 174 CD1 LEU A 14 -1.938 -6.824 0.457 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.489 -8.835 0.998 1.00 0.00 C ATOM 0 H LEU A 14 -4.387 -8.909 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.802 -10.979 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.785 -8.359 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.746 -9.534 1.785 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.653 -8.545 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.049 -6.315 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.807 -6.502 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.084 -6.576 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.371 -8.287 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.571 -8.676 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.360 -9.899 0.798 1.00 0.00 H new ATOM 187 N GLU A 15 -4.786 -11.445 1.539 1.00 0.00 N ATOM 188 CA GLU A 15 -5.961 -12.070 2.121 1.00 0.00 C ATOM 189 C GLU A 15 -6.340 -11.375 3.430 1.00 0.00 C ATOM 190 O GLU A 15 -5.563 -11.375 4.384 1.00 0.00 O ATOM 191 CB GLU A 15 -5.733 -13.567 2.341 1.00 0.00 C ATOM 192 CG GLU A 15 -6.891 -14.189 3.123 1.00 0.00 C ATOM 193 CD GLU A 15 -7.633 -15.224 2.275 1.00 0.00 C ATOM 194 OE1 GLU A 15 -8.241 -14.802 1.268 1.00 0.00 O ATOM 195 OE2 GLU A 15 -7.576 -16.414 2.653 1.00 0.00 O ATOM 0 H GLU A 15 -3.929 -11.562 2.079 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.790 -11.961 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.629 -14.068 1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.800 -13.721 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.511 -14.661 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.583 -13.408 3.437 1.00 0.00 H new ATOM 202 N ARG A 16 -7.533 -10.800 3.434 1.00 0.00 N ATOM 203 CA ARG A 16 -8.024 -10.103 4.611 1.00 0.00 C ATOM 204 C ARG A 16 -7.665 -10.882 5.878 1.00 0.00 C ATOM 205 O ARG A 16 -8.065 -12.035 6.035 1.00 0.00 O ATOM 206 CB ARG A 16 -9.541 -9.916 4.547 1.00 0.00 C ATOM 207 CG ARG A 16 -10.052 -9.162 5.777 1.00 0.00 C ATOM 208 CD ARG A 16 -11.572 -9.289 5.905 1.00 0.00 C ATOM 209 NE ARG A 16 -11.921 -9.900 7.207 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.175 -10.056 7.652 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.207 -9.648 6.901 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.397 -10.621 8.846 1.00 0.00 N ATOM 0 H ARG A 16 -8.175 -10.802 2.641 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.549 -9.122 4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.806 -9.367 3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.029 -10.889 4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.574 -9.555 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.776 -8.110 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.036 -8.306 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.964 -9.899 5.091 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.159 -10.223 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.038 -9.219 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.162 -9.766 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.611 -10.933 9.417 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.352 -10.740 9.184 1.00 0.00 H new ATOM 226 N GLY A 17 -6.916 -10.222 6.748 1.00 0.00 N ATOM 227 CA GLY A 17 -6.500 -10.838 7.996 1.00 0.00 C ATOM 228 C GLY A 17 -7.420 -10.425 9.146 1.00 0.00 C ATOM 229 O GLY A 17 -8.431 -9.759 8.928 1.00 0.00 O ATOM 0 H GLY A 17 -6.586 -9.266 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.509 -11.923 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.474 -10.548 8.224 1.00 0.00 H new ATOM 233 N PRO A 18 -7.027 -10.848 10.378 1.00 0.00 N ATOM 234 CA PRO A 18 -7.806 -10.528 11.562 1.00 0.00 C ATOM 235 C PRO A 18 -7.615 -9.065 11.966 1.00 0.00 C ATOM 236 O PRO A 18 -8.363 -8.542 12.790 1.00 0.00 O ATOM 237 CB PRO A 18 -7.325 -11.504 12.624 1.00 0.00 C ATOM 238 CG PRO A 18 -5.980 -12.019 12.138 1.00 0.00 C ATOM 239 CD PRO A 18 -5.836 -11.638 10.674 1.00 0.00 C ATOM 0 HA PRO A 18 -8.879 -10.631 11.400 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.228 -11.012 13.592 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.034 -12.322 12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.171 -11.587 12.726 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.919 -13.101 12.259 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.926 -11.063 10.502 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.779 -12.522 10.039 1.00 0.00 H new ATOM 247 N SER A 19 -6.609 -8.445 11.366 1.00 0.00 N ATOM 248 CA SER A 19 -6.310 -7.052 11.652 1.00 0.00 C ATOM 249 C SER A 19 -6.961 -6.151 10.601 1.00 0.00 C ATOM 250 O SER A 19 -7.055 -4.939 10.790 1.00 0.00 O ATOM 251 CB SER A 19 -4.800 -6.811 11.697 1.00 0.00 C ATOM 252 OG SER A 19 -4.149 -7.670 12.629 1.00 0.00 O ATOM 0 H SER A 19 -5.991 -8.882 10.683 1.00 0.00 H new ATOM 0 HA SER A 19 -6.718 -6.809 12.633 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.378 -6.968 10.704 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.607 -5.772 11.965 1.00 0.00 H new ATOM 0 HG SER A 19 -3.186 -7.486 12.626 1.00 0.00 H new ATOM 258 N GLY A 20 -7.394 -6.777 9.517 1.00 0.00 N ATOM 259 CA GLY A 20 -8.033 -6.046 8.436 1.00 0.00 C ATOM 260 C GLY A 20 -6.996 -5.514 7.445 1.00 0.00 C ATOM 261 O GLY A 20 -7.104 -4.382 6.976 1.00 0.00 O ATOM 0 H GLY A 20 -7.315 -7.782 9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.736 -6.698 7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.610 -5.216 8.845 1.00 0.00 H new ATOM 265 N LEU A 21 -6.014 -6.355 7.156 1.00 0.00 N ATOM 266 CA LEU A 21 -4.958 -5.983 6.230 1.00 0.00 C ATOM 267 C LEU A 21 -3.851 -5.253 6.992 1.00 0.00 C ATOM 268 O LEU A 21 -2.667 -5.495 6.759 1.00 0.00 O ATOM 269 CB LEU A 21 -5.530 -5.182 5.059 1.00 0.00 C ATOM 270 CG LEU A 21 -6.856 -5.686 4.486 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.806 -4.521 4.196 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.624 -6.557 3.250 1.00 0.00 C ATOM 0 H LEU A 21 -5.927 -7.293 7.547 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.508 -6.872 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.666 -4.150 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.792 -5.170 4.257 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.336 -6.314 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.741 -4.907 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.008 -3.978 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.346 -3.848 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.583 -6.902 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.112 -5.974 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.011 -7.417 3.521 1.00 0.00 H new ATOM 284 N GLY A 22 -4.274 -4.373 7.888 1.00 0.00 N ATOM 285 CA GLY A 22 -3.333 -3.606 8.687 1.00 0.00 C ATOM 286 C GLY A 22 -2.495 -2.679 7.805 1.00 0.00 C ATOM 287 O GLY A 22 -1.266 -2.732 7.834 1.00 0.00 O ATOM 0 H GLY A 22 -5.256 -4.174 8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.874 -3.018 9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.678 -4.284 9.234 1.00 0.00 H new ATOM 291 N MET A 23 -3.192 -1.850 7.041 1.00 0.00 N ATOM 292 CA MET A 23 -2.527 -0.913 6.152 1.00 0.00 C ATOM 293 C MET A 23 -2.903 0.530 6.497 1.00 0.00 C ATOM 294 O MET A 23 -3.985 0.995 6.142 1.00 0.00 O ATOM 295 CB MET A 23 -2.924 -1.212 4.705 1.00 0.00 C ATOM 296 CG MET A 23 -1.687 -1.350 3.815 1.00 0.00 C ATOM 297 SD MET A 23 -2.179 -1.507 2.106 1.00 0.00 S ATOM 298 CE MET A 23 -3.655 -2.492 2.298 1.00 0.00 C ATOM 0 H MET A 23 -4.211 -1.808 7.020 1.00 0.00 H new ATOM 0 HA MET A 23 -1.450 -1.028 6.273 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.508 -2.131 4.667 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.562 -0.413 4.326 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.042 -0.480 3.938 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.107 -2.222 4.117 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.974 -2.863 1.324 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.447 -3.335 2.957 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.447 -1.880 2.730 1.00 0.00 H new ATOM 308 N GLY A 24 -1.988 1.198 7.183 1.00 0.00 N ATOM 309 CA GLY A 24 -2.209 2.578 7.579 1.00 0.00 C ATOM 310 C GLY A 24 -2.208 3.505 6.362 1.00 0.00 C ATOM 311 O GLY A 24 -1.316 4.338 6.212 1.00 0.00 O ATOM 0 H GLY A 24 -1.091 0.809 7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.161 2.662 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.432 2.888 8.278 1.00 0.00 H new ATOM 315 N LEU A 25 -3.219 3.329 5.524 1.00 0.00 N ATOM 316 CA LEU A 25 -3.346 4.139 4.324 1.00 0.00 C ATOM 317 C LEU A 25 -3.742 5.564 4.716 1.00 0.00 C ATOM 318 O LEU A 25 -4.491 5.764 5.671 1.00 0.00 O ATOM 319 CB LEU A 25 -4.310 3.483 3.334 1.00 0.00 C ATOM 320 CG LEU A 25 -4.130 1.979 3.118 1.00 0.00 C ATOM 321 CD1 LEU A 25 -5.080 1.463 2.036 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.670 1.641 2.809 1.00 0.00 C ATOM 0 H LEU A 25 -3.958 2.638 5.652 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.390 4.204 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.329 3.661 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.206 3.983 2.371 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.390 1.467 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.931 0.391 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.111 1.652 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.876 1.978 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.569 0.566 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.359 2.164 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.040 1.952 3.642 1.00 0.00 H new ATOM 334 N ILE A 26 -3.222 6.518 3.958 1.00 0.00 N ATOM 335 CA ILE A 26 -3.512 7.919 4.215 1.00 0.00 C ATOM 336 C ILE A 26 -3.606 8.667 2.884 1.00 0.00 C ATOM 337 O ILE A 26 -2.987 8.269 1.898 1.00 0.00 O ATOM 338 CB ILE A 26 -2.484 8.511 5.181 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.848 9.949 5.556 1.00 0.00 C ATOM 340 CG2 ILE A 26 -1.069 8.408 4.608 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.485 10.245 7.012 1.00 0.00 C ATOM 0 H ILE A 26 -2.602 6.349 3.166 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.477 8.024 4.710 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.502 7.925 6.100 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.325 10.643 4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.915 10.109 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.358 8.836 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.822 7.361 4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.017 8.954 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.754 11.274 7.252 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.028 9.565 7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.413 10.108 7.155 1.00 0.00 H new ATOM 353 N ASP A 27 -4.386 9.739 2.898 1.00 0.00 N ATOM 354 CA ASP A 27 -4.570 10.546 1.704 1.00 0.00 C ATOM 355 C ASP A 27 -3.292 11.342 1.431 1.00 0.00 C ATOM 356 O ASP A 27 -2.803 12.057 2.304 1.00 0.00 O ATOM 357 CB ASP A 27 -5.718 11.542 1.883 1.00 0.00 C ATOM 358 CG ASP A 27 -6.672 11.649 0.693 1.00 0.00 C ATOM 359 OD1 ASP A 27 -6.183 11.479 -0.444 1.00 0.00 O ATOM 360 OD2 ASP A 27 -7.871 11.899 0.947 1.00 0.00 O ATOM 0 H ASP A 27 -4.897 10.067 3.717 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.801 9.876 0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.292 11.257 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.297 12.527 2.081 1.00 0.00 H new ATOM 365 N GLY A 28 -2.787 11.191 0.215 1.00 0.00 N ATOM 366 CA GLY A 28 -1.576 11.887 -0.184 1.00 0.00 C ATOM 367 C GLY A 28 -1.577 13.328 0.330 1.00 0.00 C ATOM 368 O GLY A 28 -0.517 13.912 0.552 1.00 0.00 O ATOM 0 H GLY A 28 -3.195 10.597 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.705 11.359 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.492 11.885 -1.271 1.00 0.00 H new ATOM 372 N MET A 29 -2.778 13.860 0.504 1.00 0.00 N ATOM 373 CA MET A 29 -2.930 15.222 0.987 1.00 0.00 C ATOM 374 C MET A 29 -2.537 15.327 2.462 1.00 0.00 C ATOM 375 O MET A 29 -1.829 16.253 2.855 1.00 0.00 O ATOM 376 CB MET A 29 -4.384 15.665 0.814 1.00 0.00 C ATOM 377 CG MET A 29 -4.890 15.348 -0.595 1.00 0.00 C ATOM 378 SD MET A 29 -3.690 15.876 -1.807 1.00 0.00 S ATOM 379 CE MET A 29 -4.424 17.421 -2.317 1.00 0.00 C ATOM 0 H MET A 29 -3.655 13.373 0.319 1.00 0.00 H new ATOM 0 HA MET A 29 -2.272 15.869 0.407 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.011 15.163 1.551 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.467 16.736 1.002 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.072 14.278 -0.693 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.841 15.850 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.798 17.888 -3.077 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.416 17.234 -2.728 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.507 18.086 -1.457 1.00 0.00 H new ATOM 389 N HIS A 30 -3.013 14.365 3.239 1.00 0.00 N ATOM 390 CA HIS A 30 -2.719 14.338 4.662 1.00 0.00 C ATOM 391 C HIS A 30 -1.208 14.220 4.872 1.00 0.00 C ATOM 392 O HIS A 30 -0.714 14.428 5.979 1.00 0.00 O ATOM 393 CB HIS A 30 -3.503 13.223 5.357 1.00 0.00 C ATOM 394 CG HIS A 30 -4.968 13.532 5.552 1.00 0.00 C ATOM 395 ND1 HIS A 30 -5.666 13.169 6.691 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.859 14.173 4.743 1.00 0.00 C ATOM 397 CE1 HIS A 30 -6.919 13.578 6.562 1.00 0.00 C ATOM 398 NE2 HIS A 30 -7.038 14.200 5.354 1.00 0.00 N ATOM 0 H HIS A 30 -3.600 13.599 2.910 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.043 15.272 5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.410 12.308 4.772 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.051 13.027 6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.643 14.589 3.770 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.708 13.443 7.287 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.891 14.617 4.982 1.00 0.00 H new ATOM 406 N THR A 31 -0.517 13.887 3.792 1.00 0.00 N ATOM 407 CA THR A 31 0.927 13.739 3.844 1.00 0.00 C ATOM 408 C THR A 31 1.609 14.910 3.133 1.00 0.00 C ATOM 409 O THR A 31 0.990 15.591 2.318 1.00 0.00 O ATOM 410 CB THR A 31 1.285 12.375 3.250 1.00 0.00 C ATOM 411 OG1 THR A 31 0.331 12.190 2.207 1.00 0.00 O ATOM 412 CG2 THR A 31 1.007 11.223 4.218 1.00 0.00 C ATOM 0 H THR A 31 -0.931 13.715 2.876 1.00 0.00 H new ATOM 0 HA THR A 31 1.291 13.767 4.871 1.00 0.00 H new ATOM 0 HB THR A 31 2.338 12.366 2.969 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.351 12.963 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.279 10.278 3.747 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.597 11.359 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.053 11.210 4.473 1.00 0.00 H new ATOM 420 N HIS A 32 2.876 15.106 3.468 1.00 0.00 N ATOM 421 CA HIS A 32 3.649 16.183 2.871 1.00 0.00 C ATOM 422 C HIS A 32 3.595 16.070 1.347 1.00 0.00 C ATOM 423 O HIS A 32 3.847 17.044 0.639 1.00 0.00 O ATOM 424 CB HIS A 32 5.079 16.190 3.415 1.00 0.00 C ATOM 425 CG HIS A 32 5.834 17.469 3.140 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.031 18.445 4.101 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.438 17.921 2.003 1.00 0.00 C ATOM 428 CE1 HIS A 32 6.723 19.435 3.556 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.973 19.108 2.256 1.00 0.00 N ATOM 0 H HIS A 32 3.386 14.538 4.144 1.00 0.00 H new ATOM 0 HA HIS A 32 3.213 17.144 3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.048 16.023 4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.627 15.355 2.978 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.474 17.400 1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.034 20.341 4.054 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.487 19.682 1.588 1.00 0.00 H new ATOM 437 N LEU A 33 3.264 14.873 0.885 1.00 0.00 N ATOM 438 CA LEU A 33 3.173 14.620 -0.543 1.00 0.00 C ATOM 439 C LEU A 33 2.422 15.771 -1.214 1.00 0.00 C ATOM 440 O LEU A 33 2.742 16.155 -2.337 1.00 0.00 O ATOM 441 CB LEU A 33 2.553 13.246 -0.805 1.00 0.00 C ATOM 442 CG LEU A 33 2.942 12.575 -2.124 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.189 11.706 -1.951 1.00 0.00 C ATOM 444 CD2 LEU A 33 1.768 11.785 -2.705 1.00 0.00 C ATOM 0 H LEU A 33 3.055 14.067 1.475 1.00 0.00 H new ATOM 0 HA LEU A 33 4.168 14.586 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.831 12.582 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.468 13.348 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 33 3.191 13.355 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.443 11.241 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.021 12.326 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.993 10.931 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.072 11.318 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.463 11.014 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.932 12.459 -2.890 1.00 0.00 H new ATOM 456 N GLY A 34 1.436 16.290 -0.496 1.00 0.00 N ATOM 457 CA GLY A 34 0.637 17.390 -1.008 1.00 0.00 C ATOM 458 C GLY A 34 0.027 17.039 -2.366 1.00 0.00 C ATOM 459 O GLY A 34 -0.305 17.927 -3.150 1.00 0.00 O ATOM 0 H GLY A 34 1.173 15.969 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.156 17.628 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.257 18.281 -1.103 1.00 0.00 H new ATOM 463 N ALA A 35 -0.102 15.742 -2.604 1.00 0.00 N ATOM 464 CA ALA A 35 -0.666 15.262 -3.854 1.00 0.00 C ATOM 465 C ALA A 35 -1.841 14.329 -3.553 1.00 0.00 C ATOM 466 O ALA A 35 -1.833 13.618 -2.550 1.00 0.00 O ATOM 467 CB ALA A 35 0.426 14.578 -4.678 1.00 0.00 C ATOM 0 H ALA A 35 0.175 15.008 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.048 16.093 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.003 14.218 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.223 15.291 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.832 13.737 -4.117 1.00 0.00 H new ATOM 473 N PRO A 36 -2.849 14.362 -4.465 1.00 0.00 N ATOM 474 CA PRO A 36 -4.028 13.528 -4.308 1.00 0.00 C ATOM 475 C PRO A 36 -3.718 12.070 -4.652 1.00 0.00 C ATOM 476 O PRO A 36 -3.119 11.787 -5.688 1.00 0.00 O ATOM 477 CB PRO A 36 -5.072 14.145 -5.224 1.00 0.00 C ATOM 478 CG PRO A 36 -4.304 15.016 -6.205 1.00 0.00 C ATOM 479 CD PRO A 36 -2.893 15.192 -5.666 1.00 0.00 C ATOM 0 HA PRO A 36 -4.388 13.498 -3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.638 13.374 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.790 14.737 -4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.281 14.552 -7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.792 15.984 -6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.148 14.873 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.685 16.236 -5.433 1.00 0.00 H new ATOM 487 N GLY A 37 -4.141 11.182 -3.764 1.00 0.00 N ATOM 488 CA GLY A 37 -3.916 9.760 -3.961 1.00 0.00 C ATOM 489 C GLY A 37 -3.858 9.024 -2.621 1.00 0.00 C ATOM 490 O GLY A 37 -3.940 9.646 -1.563 1.00 0.00 O ATOM 0 H GLY A 37 -4.639 11.420 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.715 9.343 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.984 9.607 -4.505 1.00 0.00 H new ATOM 494 N LEU A 38 -3.717 7.710 -2.710 1.00 0.00 N ATOM 495 CA LEU A 38 -3.647 6.882 -1.518 1.00 0.00 C ATOM 496 C LEU A 38 -2.252 6.264 -1.413 1.00 0.00 C ATOM 497 O LEU A 38 -1.662 5.878 -2.421 1.00 0.00 O ATOM 498 CB LEU A 38 -4.778 5.851 -1.515 1.00 0.00 C ATOM 499 CG LEU A 38 -6.160 6.373 -1.117 1.00 0.00 C ATOM 500 CD1 LEU A 38 -6.184 6.797 0.353 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.608 7.502 -2.047 1.00 0.00 C ATOM 0 H LEU A 38 -3.649 7.198 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.796 7.488 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.849 5.416 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.506 5.045 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.877 5.560 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.178 7.164 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.939 5.941 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.452 7.588 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.593 7.855 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.895 8.324 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.656 7.132 -3.071 1.00 0.00 H new ATOM 513 N TYR A 39 -1.764 6.189 -0.183 1.00 0.00 N ATOM 514 CA TYR A 39 -0.449 5.625 0.067 1.00 0.00 C ATOM 515 C TYR A 39 -0.393 4.951 1.440 1.00 0.00 C ATOM 516 O TYR A 39 -1.206 5.247 2.314 1.00 0.00 O ATOM 517 CB TYR A 39 0.526 6.804 0.052 1.00 0.00 C ATOM 518 CG TYR A 39 0.384 7.713 -1.171 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.711 8.545 -1.289 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.350 7.700 -2.156 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.844 9.400 -2.439 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.217 8.556 -3.307 1.00 0.00 C ATOM 523 CZ TYR A 39 0.126 9.363 -3.392 1.00 0.00 C ATOM 524 OH TYR A 39 -0.001 10.171 -4.479 1.00 0.00 O ATOM 0 H TYR A 39 -2.256 6.510 0.651 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.206 4.872 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.375 7.398 0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.545 6.420 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.468 8.554 -0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.206 7.048 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.695 10.057 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.967 8.557 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 39 0.765 10.040 -5.076 1.00 0.00 H new ATOM 534 N ILE A 40 0.574 4.057 1.586 1.00 0.00 N ATOM 535 CA ILE A 40 0.746 3.339 2.837 1.00 0.00 C ATOM 536 C ILE A 40 1.537 4.209 3.816 1.00 0.00 C ATOM 537 O ILE A 40 2.660 4.617 3.521 1.00 0.00 O ATOM 538 CB ILE A 40 1.376 1.968 2.586 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.502 1.124 1.656 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.670 1.249 3.904 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.137 -0.243 1.396 1.00 0.00 C ATOM 0 H ILE A 40 1.246 3.814 0.859 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.222 3.140 3.297 1.00 0.00 H new ATOM 0 HB ILE A 40 2.330 2.119 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.485 0.992 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.359 1.648 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.117 0.277 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.361 1.847 4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.741 1.110 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.495 -0.822 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.113 -0.108 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.256 -0.774 2.340 1.00 0.00 H new ATOM 553 N GLN A 41 0.921 4.469 4.959 1.00 0.00 N ATOM 554 CA GLN A 41 1.554 5.283 5.983 1.00 0.00 C ATOM 555 C GLN A 41 2.242 4.393 7.019 1.00 0.00 C ATOM 556 O GLN A 41 3.260 4.777 7.593 1.00 0.00 O ATOM 557 CB GLN A 41 0.538 6.214 6.648 1.00 0.00 C ATOM 558 CG GLN A 41 1.236 7.407 7.304 1.00 0.00 C ATOM 559 CD GLN A 41 0.621 7.718 8.671 1.00 0.00 C ATOM 560 OE1 GLN A 41 -0.546 8.353 8.607 1.00 0.00 O flip ATOM 561 NE2 GLN A 41 1.171 7.403 9.713 1.00 0.00 N flip ATOM 0 H GLN A 41 -0.011 4.130 5.199 1.00 0.00 H new ATOM 0 HA GLN A 41 2.312 5.906 5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.176 6.569 5.905 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.030 5.663 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.299 7.193 7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.155 8.281 6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.067 6.916 9.690 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.735 7.626 10.608 1.00 0.00 H new ATOM 570 N THR A 42 1.660 3.222 7.227 1.00 0.00 N ATOM 571 CA THR A 42 2.205 2.274 8.184 1.00 0.00 C ATOM 572 C THR A 42 1.814 0.845 7.801 1.00 0.00 C ATOM 573 O THR A 42 0.926 0.641 6.975 1.00 0.00 O ATOM 574 CB THR A 42 1.725 2.682 9.578 1.00 0.00 C ATOM 575 OG1 THR A 42 0.452 3.277 9.347 1.00 0.00 O ATOM 576 CG2 THR A 42 2.563 3.814 10.177 1.00 0.00 C ATOM 0 H THR A 42 0.816 2.907 6.749 1.00 0.00 H new ATOM 0 HA THR A 42 3.295 2.291 8.181 1.00 0.00 H new ATOM 0 HB THR A 42 1.757 1.817 10.240 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.209 2.882 9.953 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.181 4.065 11.166 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.601 3.493 10.260 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.504 4.691 9.532 1.00 0.00 H new ATOM 584 N LEU A 43 2.497 -0.107 8.420 1.00 0.00 N ATOM 585 CA LEU A 43 2.233 -1.511 8.154 1.00 0.00 C ATOM 586 C LEU A 43 2.372 -2.306 9.454 1.00 0.00 C ATOM 587 O LEU A 43 3.367 -2.173 10.164 1.00 0.00 O ATOM 588 CB LEU A 43 3.128 -2.020 7.023 1.00 0.00 C ATOM 589 CG LEU A 43 2.880 -1.407 5.643 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.196 -1.196 4.892 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.890 -2.251 4.839 1.00 0.00 C ATOM 0 H LEU A 43 3.233 0.066 9.105 1.00 0.00 H new ATOM 0 HA LEU A 43 1.210 -1.647 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.167 -1.837 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.004 -3.100 6.946 1.00 0.00 H new ATOM 0 HG LEU A 43 2.428 -0.425 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.991 -0.759 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.837 -0.524 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.699 -2.154 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.731 -1.794 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.291 -3.256 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.941 -2.306 5.373 1.00 0.00 H new ATOM 603 N LEU A 44 1.359 -3.116 9.726 1.00 0.00 N ATOM 604 CA LEU A 44 1.355 -3.933 10.927 1.00 0.00 C ATOM 605 C LEU A 44 2.262 -5.147 10.716 1.00 0.00 C ATOM 606 O LEU A 44 2.504 -5.556 9.581 1.00 0.00 O ATOM 607 CB LEU A 44 -0.077 -4.296 11.324 1.00 0.00 C ATOM 608 CG LEU A 44 -0.579 -3.703 12.641 1.00 0.00 C ATOM 609 CD1 LEU A 44 -1.622 -2.612 12.389 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.109 -4.798 13.570 1.00 0.00 C ATOM 0 H LEU A 44 0.535 -3.224 9.135 1.00 0.00 H new ATOM 0 HA LEU A 44 1.762 -3.374 11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.746 -3.975 10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.152 -5.382 11.386 1.00 0.00 H new ATOM 0 HG LEU A 44 0.264 -3.232 13.146 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.962 -2.207 13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.178 -1.814 11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.470 -3.036 11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.460 -4.349 14.499 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.934 -5.319 13.085 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.311 -5.507 13.789 1.00 0.00 H new ATOM 622 N PRO A 45 2.751 -5.705 11.856 1.00 0.00 N ATOM 623 CA PRO A 45 3.625 -6.864 11.807 1.00 0.00 C ATOM 624 C PRO A 45 2.835 -8.134 11.484 1.00 0.00 C ATOM 625 O PRO A 45 3.155 -8.843 10.532 1.00 0.00 O ATOM 626 CB PRO A 45 4.293 -6.911 13.171 1.00 0.00 C ATOM 627 CG PRO A 45 3.429 -6.060 14.088 1.00 0.00 C ATOM 628 CD PRO A 45 2.485 -5.248 13.217 1.00 0.00 C ATOM 0 HA PRO A 45 4.371 -6.795 11.015 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.361 -7.935 13.538 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.310 -6.522 13.121 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.866 -6.691 14.776 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.050 -5.401 14.695 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.445 -5.417 13.495 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.672 -4.179 13.320 1.00 0.00 H new ATOM 636 N GLY A 46 1.817 -8.381 12.295 1.00 0.00 N ATOM 637 CA GLY A 46 0.979 -9.553 12.108 1.00 0.00 C ATOM 638 C GLY A 46 -0.147 -9.268 11.111 1.00 0.00 C ATOM 639 O GLY A 46 -1.312 -9.550 11.388 1.00 0.00 O ATOM 0 H GLY A 46 1.554 -7.790 13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.585 -10.385 11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.554 -9.857 13.065 1.00 0.00 H new ATOM 643 N SER A 47 0.241 -8.712 9.973 1.00 0.00 N ATOM 644 CA SER A 47 -0.721 -8.386 8.934 1.00 0.00 C ATOM 645 C SER A 47 -0.259 -8.963 7.594 1.00 0.00 C ATOM 646 O SER A 47 0.919 -9.272 7.420 1.00 0.00 O ATOM 647 CB SER A 47 -0.918 -6.873 8.821 1.00 0.00 C ATOM 648 OG SER A 47 -0.007 -6.283 7.898 1.00 0.00 O ATOM 0 H SER A 47 1.208 -8.479 9.748 1.00 0.00 H new ATOM 0 HA SER A 47 -1.679 -8.831 9.203 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.940 -6.663 8.506 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.787 -6.416 9.802 1.00 0.00 H new ATOM 0 HG SER A 47 0.814 -6.027 8.367 1.00 0.00 H new ATOM 654 N PRO A 48 -1.236 -9.093 6.657 1.00 0.00 N ATOM 655 CA PRO A 48 -0.942 -9.627 5.338 1.00 0.00 C ATOM 656 C PRO A 48 -0.209 -8.594 4.479 1.00 0.00 C ATOM 657 O PRO A 48 0.728 -8.933 3.758 1.00 0.00 O ATOM 658 CB PRO A 48 -2.292 -10.025 4.764 1.00 0.00 C ATOM 659 CG PRO A 48 -3.330 -9.278 5.585 1.00 0.00 C ATOM 660 CD PRO A 48 -2.642 -8.738 6.828 1.00 0.00 C ATOM 0 HA PRO A 48 -0.270 -10.485 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.362 -9.758 3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.443 -11.102 4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.762 -8.463 5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.149 -9.942 5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.770 -7.659 6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.055 -9.182 7.734 1.00 0.00 H new ATOM 668 N ALA A 49 -0.663 -7.354 4.586 1.00 0.00 N ATOM 669 CA ALA A 49 -0.062 -6.269 3.828 1.00 0.00 C ATOM 670 C ALA A 49 1.445 -6.245 4.089 1.00 0.00 C ATOM 671 O ALA A 49 2.208 -5.704 3.290 1.00 0.00 O ATOM 672 CB ALA A 49 -0.740 -4.949 4.201 1.00 0.00 C ATOM 0 H ALA A 49 -1.440 -7.076 5.186 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.209 -6.420 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.289 -4.135 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.803 -5.008 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.611 -4.762 5.267 1.00 0.00 H new ATOM 678 N ALA A 50 1.829 -6.837 5.210 1.00 0.00 N ATOM 679 CA ALA A 50 3.232 -6.889 5.586 1.00 0.00 C ATOM 680 C ALA A 50 3.830 -8.218 5.122 1.00 0.00 C ATOM 681 O ALA A 50 5.008 -8.284 4.773 1.00 0.00 O ATOM 682 CB ALA A 50 3.363 -6.687 7.097 1.00 0.00 C ATOM 0 H ALA A 50 1.193 -7.285 5.870 1.00 0.00 H new ATOM 0 HA ALA A 50 3.790 -6.088 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.415 -6.726 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.949 -5.717 7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.818 -7.474 7.618 1.00 0.00 H new ATOM 688 N ALA A 51 2.992 -9.244 5.132 1.00 0.00 N ATOM 689 CA ALA A 51 3.423 -10.568 4.716 1.00 0.00 C ATOM 690 C ALA A 51 3.990 -10.492 3.297 1.00 0.00 C ATOM 691 O ALA A 51 5.014 -11.105 3.000 1.00 0.00 O ATOM 692 CB ALA A 51 2.251 -11.545 4.825 1.00 0.00 C ATOM 0 H ALA A 51 2.016 -9.185 5.422 1.00 0.00 H new ATOM 0 HA ALA A 51 4.215 -10.936 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.575 -12.538 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.905 -11.584 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.437 -11.210 4.182 1.00 0.00 H new ATOM 698 N ASP A 52 3.298 -9.735 2.458 1.00 0.00 N ATOM 699 CA ASP A 52 3.719 -9.571 1.077 1.00 0.00 C ATOM 700 C ASP A 52 5.164 -9.069 1.045 1.00 0.00 C ATOM 701 O ASP A 52 6.043 -9.732 0.497 1.00 0.00 O ATOM 702 CB ASP A 52 2.846 -8.545 0.353 1.00 0.00 C ATOM 703 CG ASP A 52 2.621 -8.822 -1.135 1.00 0.00 C ATOM 704 OD1 ASP A 52 3.612 -8.712 -1.889 1.00 0.00 O ATOM 705 OD2 ASP A 52 1.463 -9.137 -1.485 1.00 0.00 O ATOM 0 H ASP A 52 2.449 -9.228 2.708 1.00 0.00 H new ATOM 0 HA ASP A 52 3.628 -10.537 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.877 -8.500 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.304 -7.562 0.459 1.00 0.00 H new ATOM 710 N GLY A 53 5.364 -7.902 1.639 1.00 0.00 N ATOM 711 CA GLY A 53 6.688 -7.303 1.685 1.00 0.00 C ATOM 712 C GLY A 53 6.764 -6.070 0.783 1.00 0.00 C ATOM 713 O GLY A 53 7.165 -4.995 1.226 1.00 0.00 O ATOM 0 H GLY A 53 4.632 -7.355 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.929 -7.023 2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.433 -8.034 1.371 1.00 0.00 H new ATOM 717 N ARG A 54 6.371 -6.266 -0.467 1.00 0.00 N ATOM 718 CA ARG A 54 6.390 -5.183 -1.436 1.00 0.00 C ATOM 719 C ARG A 54 5.759 -3.924 -0.837 1.00 0.00 C ATOM 720 O ARG A 54 6.301 -2.829 -0.973 1.00 0.00 O ATOM 721 CB ARG A 54 5.632 -5.569 -2.708 1.00 0.00 C ATOM 722 CG ARG A 54 6.341 -5.032 -3.953 1.00 0.00 C ATOM 723 CD ARG A 54 6.516 -3.514 -3.872 1.00 0.00 C ATOM 724 NE ARG A 54 7.049 -2.997 -5.153 1.00 0.00 N ATOM 725 CZ ARG A 54 8.344 -3.028 -5.495 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.247 -3.551 -4.654 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.736 -2.536 -6.678 1.00 0.00 N ATOM 0 H ARG A 54 6.038 -7.158 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 54 7.431 -4.985 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.550 -6.654 -2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.617 -5.174 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.316 -5.509 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.766 -5.288 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.560 -3.041 -3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.195 -3.261 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 54 6.389 -2.592 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.948 -3.926 -3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.233 -3.575 -4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.049 -2.138 -7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.722 -2.559 -6.939 1.00 0.00 H new ATOM 741 N LEU A 55 4.621 -4.123 -0.187 1.00 0.00 N ATOM 742 CA LEU A 55 3.911 -3.018 0.433 1.00 0.00 C ATOM 743 C LEU A 55 4.847 -2.296 1.404 1.00 0.00 C ATOM 744 O LEU A 55 5.169 -2.823 2.468 1.00 0.00 O ATOM 745 CB LEU A 55 2.614 -3.509 1.079 1.00 0.00 C ATOM 746 CG LEU A 55 1.393 -3.584 0.160 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.800 -3.978 -1.262 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.331 -4.524 0.734 1.00 0.00 C ATOM 0 H LEU A 55 4.174 -5.033 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 55 3.609 -2.290 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.792 -4.500 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.375 -2.850 1.914 1.00 0.00 H new ATOM 0 HG LEU A 55 0.947 -2.591 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.914 -4.024 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.492 -3.237 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.284 -4.954 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.526 -4.559 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.750 -5.525 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.011 -4.159 1.710 1.00 0.00 H new ATOM 760 N SER A 56 5.257 -1.102 1.004 1.00 0.00 N ATOM 761 CA SER A 56 6.150 -0.303 1.826 1.00 0.00 C ATOM 762 C SER A 56 5.644 1.139 1.899 1.00 0.00 C ATOM 763 O SER A 56 5.133 1.672 0.915 1.00 0.00 O ATOM 764 CB SER A 56 7.579 -0.337 1.281 1.00 0.00 C ATOM 765 OG SER A 56 7.898 -1.597 0.698 1.00 0.00 O ATOM 0 H SER A 56 4.987 -0.668 0.121 1.00 0.00 H new ATOM 0 HA SER A 56 6.163 -0.728 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.701 0.449 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.280 -0.123 2.088 1.00 0.00 H new ATOM 0 HG SER A 56 7.356 -1.732 -0.107 1.00 0.00 H new ATOM 771 N LEU A 57 5.804 1.730 3.074 1.00 0.00 N ATOM 772 CA LEU A 57 5.369 3.100 3.288 1.00 0.00 C ATOM 773 C LEU A 57 5.796 3.958 2.096 1.00 0.00 C ATOM 774 O LEU A 57 6.973 3.989 1.738 1.00 0.00 O ATOM 775 CB LEU A 57 5.879 3.619 4.634 1.00 0.00 C ATOM 776 CG LEU A 57 5.189 3.053 5.877 1.00 0.00 C ATOM 777 CD1 LEU A 57 4.871 1.568 5.699 1.00 0.00 C ATOM 778 CD2 LEU A 57 6.022 3.315 7.133 1.00 0.00 C ATOM 0 H LEU A 57 6.229 1.285 3.888 1.00 0.00 H new ATOM 0 HA LEU A 57 4.282 3.151 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.945 3.402 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.773 4.704 4.646 1.00 0.00 H new ATOM 0 HG LEU A 57 4.239 3.572 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.381 1.191 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.209 1.438 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.795 1.016 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.509 2.903 8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.998 2.840 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.153 4.389 7.265 1.00 0.00 H new ATOM 790 N GLY A 58 4.817 4.633 1.513 1.00 0.00 N ATOM 791 CA GLY A 58 5.076 5.490 0.368 1.00 0.00 C ATOM 792 C GLY A 58 4.380 4.956 -0.885 1.00 0.00 C ATOM 793 O GLY A 58 4.285 5.655 -1.893 1.00 0.00 O ATOM 0 H GLY A 58 3.842 4.604 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.727 6.501 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.150 5.554 0.193 1.00 0.00 H new ATOM 797 N ASP A 59 3.910 3.721 -0.782 1.00 0.00 N ATOM 798 CA ASP A 59 3.224 3.086 -1.894 1.00 0.00 C ATOM 799 C ASP A 59 2.105 4.004 -2.389 1.00 0.00 C ATOM 800 O ASP A 59 1.712 4.940 -1.695 1.00 0.00 O ATOM 801 CB ASP A 59 2.594 1.759 -1.467 1.00 0.00 C ATOM 802 CG ASP A 59 1.094 1.636 -1.746 1.00 0.00 C ATOM 803 OD1 ASP A 59 0.355 2.526 -1.275 1.00 0.00 O ATOM 804 OD2 ASP A 59 0.722 0.654 -2.424 1.00 0.00 O ATOM 0 H ASP A 59 3.991 3.143 0.055 1.00 0.00 H new ATOM 0 HA ASP A 59 3.956 2.901 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.111 0.947 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.762 1.621 -0.399 1.00 0.00 H new ATOM 809 N ARG A 60 1.622 3.702 -3.585 1.00 0.00 N ATOM 810 CA ARG A 60 0.555 4.489 -4.182 1.00 0.00 C ATOM 811 C ARG A 60 -0.538 3.570 -4.731 1.00 0.00 C ATOM 812 O ARG A 60 -0.317 2.846 -5.700 1.00 0.00 O ATOM 813 CB ARG A 60 1.087 5.370 -5.313 1.00 0.00 C ATOM 814 CG ARG A 60 -0.051 6.136 -5.993 1.00 0.00 C ATOM 815 CD ARG A 60 0.477 6.992 -7.146 1.00 0.00 C ATOM 816 NE ARG A 60 -0.581 7.914 -7.617 1.00 0.00 N ATOM 817 CZ ARG A 60 -0.464 8.704 -8.693 1.00 0.00 C ATOM 818 NH1 ARG A 60 0.664 8.689 -9.416 1.00 0.00 N ATOM 819 NH2 ARG A 60 -1.476 9.509 -9.046 1.00 0.00 N ATOM 0 H ARG A 60 1.949 2.924 -4.157 1.00 0.00 H new ATOM 0 HA ARG A 60 0.139 5.129 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.818 6.074 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.604 4.752 -6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.794 5.433 -6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.553 6.772 -5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.347 7.561 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.804 6.352 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.453 7.950 -7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.434 8.076 -9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.753 9.290 -10.235 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.335 9.520 -8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.387 10.111 -9.865 1.00 0.00 H new ATOM 833 N ILE A 61 -1.695 3.629 -4.087 1.00 0.00 N ATOM 834 CA ILE A 61 -2.823 2.811 -4.499 1.00 0.00 C ATOM 835 C ILE A 61 -3.460 3.421 -5.749 1.00 0.00 C ATOM 836 O ILE A 61 -3.792 4.605 -5.766 1.00 0.00 O ATOM 837 CB ILE A 61 -3.802 2.626 -3.338 1.00 0.00 C ATOM 838 CG1 ILE A 61 -3.062 2.260 -2.049 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.882 1.599 -3.689 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.090 1.103 -2.284 1.00 0.00 C ATOM 0 H ILE A 61 -1.875 4.231 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.489 1.809 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.306 3.577 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.517 3.128 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.782 1.984 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.565 1.487 -2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.437 1.939 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.414 0.639 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.578 0.863 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.642 0.229 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.357 1.391 -3.038 1.00 0.00 H new ATOM 852 N LEU A 62 -3.612 2.584 -6.765 1.00 0.00 N ATOM 853 CA LEU A 62 -4.204 3.026 -8.016 1.00 0.00 C ATOM 854 C LEU A 62 -5.586 2.390 -8.175 1.00 0.00 C ATOM 855 O LEU A 62 -6.486 2.991 -8.760 1.00 0.00 O ATOM 856 CB LEU A 62 -3.259 2.742 -9.185 1.00 0.00 C ATOM 857 CG LEU A 62 -1.821 3.241 -9.022 1.00 0.00 C ATOM 858 CD1 LEU A 62 -0.922 2.693 -10.131 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.776 4.769 -8.950 1.00 0.00 C ATOM 0 H LEU A 62 -3.335 1.602 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.349 4.106 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.232 1.665 -9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.679 3.193 -10.084 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.433 2.862 -8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.094 3.063 -9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.920 1.604 -10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.298 3.022 -11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.743 5.098 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.190 5.189 -9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.363 5.111 -8.097 1.00 0.00 H new ATOM 871 N GLU A 63 -5.712 1.183 -7.643 1.00 0.00 N ATOM 872 CA GLU A 63 -6.969 0.460 -7.718 1.00 0.00 C ATOM 873 C GLU A 63 -7.181 -0.369 -6.449 1.00 0.00 C ATOM 874 O GLU A 63 -6.227 -0.673 -5.736 1.00 0.00 O ATOM 875 CB GLU A 63 -7.019 -0.425 -8.965 1.00 0.00 C ATOM 876 CG GLU A 63 -7.152 0.422 -10.233 1.00 0.00 C ATOM 877 CD GLU A 63 -6.998 -0.440 -11.487 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.133 -1.675 -11.347 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.750 0.155 -12.558 1.00 0.00 O ATOM 0 H GLU A 63 -4.964 0.688 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.779 1.186 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.115 -1.031 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.861 -1.114 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.123 0.916 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.395 1.207 -10.232 1.00 0.00 H new ATOM 886 N VAL A 64 -8.438 -0.712 -6.207 1.00 0.00 N ATOM 887 CA VAL A 64 -8.787 -1.500 -5.038 1.00 0.00 C ATOM 888 C VAL A 64 -9.857 -2.525 -5.419 1.00 0.00 C ATOM 889 O VAL A 64 -11.002 -2.163 -5.684 1.00 0.00 O ATOM 890 CB VAL A 64 -9.223 -0.578 -3.897 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.351 -1.211 -3.080 1.00 0.00 C ATOM 892 CG2 VAL A 64 -8.036 -0.213 -3.003 1.00 0.00 C ATOM 0 H VAL A 64 -9.227 -0.458 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.920 -2.054 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.606 0.342 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.642 -0.535 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.209 -1.396 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.007 -2.154 -2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.373 0.443 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.610 -1.121 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.278 0.299 -3.596 1.00 0.00 H new ATOM 902 N ASN A 65 -9.445 -3.784 -5.435 1.00 0.00 N ATOM 903 CA ASN A 65 -10.354 -4.864 -5.780 1.00 0.00 C ATOM 904 C ASN A 65 -10.762 -4.732 -7.248 1.00 0.00 C ATOM 905 O ASN A 65 -11.768 -5.301 -7.670 1.00 0.00 O ATOM 906 CB ASN A 65 -11.624 -4.808 -4.929 1.00 0.00 C ATOM 907 CG ASN A 65 -11.651 -5.948 -3.909 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.180 -7.047 -4.154 1.00 0.00 O ATOM 909 ND2 ASN A 65 -12.227 -5.627 -2.754 1.00 0.00 N ATOM 0 H ASN A 65 -8.494 -4.080 -5.215 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.840 -5.808 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.677 -3.850 -4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.501 -4.871 -5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.295 -6.319 -2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.601 -4.688 -2.614 1.00 0.00 H new ATOM 916 N GLY A 66 -9.961 -3.978 -7.987 1.00 0.00 N ATOM 917 CA GLY A 66 -10.227 -3.764 -9.399 1.00 0.00 C ATOM 918 C GLY A 66 -11.129 -2.546 -9.609 1.00 0.00 C ATOM 919 O GLY A 66 -11.870 -2.479 -10.588 1.00 0.00 O ATOM 0 H GLY A 66 -9.128 -3.508 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.287 -3.621 -9.932 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.702 -4.650 -9.822 1.00 0.00 H new ATOM 923 N SER A 67 -11.037 -1.613 -8.672 1.00 0.00 N ATOM 924 CA SER A 67 -11.835 -0.401 -8.742 1.00 0.00 C ATOM 925 C SER A 67 -10.922 0.821 -8.864 1.00 0.00 C ATOM 926 O SER A 67 -10.021 1.011 -8.049 1.00 0.00 O ATOM 927 CB SER A 67 -12.740 -0.266 -7.516 1.00 0.00 C ATOM 928 OG SER A 67 -14.113 -0.141 -7.877 1.00 0.00 O ATOM 0 H SER A 67 -10.422 -1.672 -7.861 1.00 0.00 H new ATOM 0 HA SER A 67 -12.471 -0.461 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.612 -1.137 -6.873 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.437 0.606 -6.936 1.00 0.00 H new ATOM 0 HG SER A 67 -14.658 -0.059 -7.067 1.00 0.00 H new ATOM 934 N SER A 68 -11.187 1.618 -9.889 1.00 0.00 N ATOM 935 CA SER A 68 -10.401 2.816 -10.129 1.00 0.00 C ATOM 936 C SER A 68 -10.447 3.726 -8.900 1.00 0.00 C ATOM 937 O SER A 68 -11.520 4.001 -8.366 1.00 0.00 O ATOM 938 CB SER A 68 -10.903 3.566 -11.364 1.00 0.00 C ATOM 939 OG SER A 68 -12.310 3.787 -11.320 1.00 0.00 O ATOM 0 H SER A 68 -11.936 1.457 -10.563 1.00 0.00 H new ATOM 0 HA SER A 68 -9.369 2.517 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.388 4.524 -11.441 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.653 2.997 -12.260 1.00 0.00 H new ATOM 0 HG SER A 68 -12.591 4.270 -12.125 1.00 0.00 H new ATOM 945 N LEU A 69 -9.268 4.168 -8.486 1.00 0.00 N ATOM 946 CA LEU A 69 -9.160 5.042 -7.330 1.00 0.00 C ATOM 947 C LEU A 69 -8.436 6.328 -7.734 1.00 0.00 C ATOM 948 O LEU A 69 -7.437 6.700 -7.121 1.00 0.00 O ATOM 949 CB LEU A 69 -8.501 4.306 -6.162 1.00 0.00 C ATOM 950 CG LEU A 69 -9.441 3.513 -5.252 1.00 0.00 C ATOM 951 CD1 LEU A 69 -8.685 2.931 -4.056 1.00 0.00 C ATOM 952 CD2 LEU A 69 -10.632 4.369 -4.816 1.00 0.00 C ATOM 0 H LEU A 69 -8.379 3.937 -8.931 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.150 5.331 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.755 3.621 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.968 5.036 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.839 2.673 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.377 2.372 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.899 2.265 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.240 3.741 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.285 3.782 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.273 5.242 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.188 4.693 -5.695 1.00 0.00 H new ATOM 964 N LEU A 70 -8.969 6.971 -8.762 1.00 0.00 N ATOM 965 CA LEU A 70 -8.386 8.207 -9.255 1.00 0.00 C ATOM 966 C LEU A 70 -9.187 9.394 -8.717 1.00 0.00 C ATOM 967 O LEU A 70 -8.688 10.165 -7.899 1.00 0.00 O ATOM 968 CB LEU A 70 -8.279 8.179 -10.781 1.00 0.00 C ATOM 969 CG LEU A 70 -7.142 7.333 -11.358 1.00 0.00 C ATOM 970 CD1 LEU A 70 -7.313 7.141 -12.867 1.00 0.00 C ATOM 971 CD2 LEU A 70 -5.780 7.934 -11.008 1.00 0.00 C ATOM 0 H LEU A 70 -9.798 6.659 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.365 8.318 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.221 7.809 -11.185 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.160 9.203 -11.136 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.185 6.345 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.492 6.536 -13.252 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.259 6.637 -13.065 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.310 8.113 -13.360 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.989 7.314 -11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.710 8.941 -11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.669 7.977 -9.925 1.00 0.00 H new ATOM 983 N GLY A 71 -10.417 9.503 -9.197 1.00 0.00 N ATOM 984 CA GLY A 71 -11.293 10.582 -8.774 1.00 0.00 C ATOM 985 C GLY A 71 -12.117 10.174 -7.551 1.00 0.00 C ATOM 986 O GLY A 71 -13.074 10.855 -7.187 1.00 0.00 O ATOM 0 H GLY A 71 -10.828 8.861 -9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.700 11.465 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.960 10.855 -9.592 1.00 0.00 H new ATOM 990 N LEU A 72 -11.714 9.063 -6.951 1.00 0.00 N ATOM 991 CA LEU A 72 -12.403 8.555 -5.777 1.00 0.00 C ATOM 992 C LEU A 72 -11.734 9.110 -4.518 1.00 0.00 C ATOM 993 O LEU A 72 -10.559 8.845 -4.268 1.00 0.00 O ATOM 994 CB LEU A 72 -12.471 7.027 -5.815 1.00 0.00 C ATOM 995 CG LEU A 72 -13.740 6.427 -6.424 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.792 4.914 -6.202 1.00 0.00 C ATOM 997 CD2 LEU A 72 -14.990 7.128 -5.888 1.00 0.00 C ATOM 0 H LEU A 72 -10.919 8.501 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.438 8.897 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.613 6.659 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.369 6.653 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.714 6.594 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.704 4.512 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.925 4.448 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.784 4.703 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.878 6.682 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.035 7.014 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.949 8.188 -6.140 1.00 0.00 H new ATOM 1009 N GLY A 73 -12.510 9.870 -3.760 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.006 10.465 -2.533 1.00 0.00 C ATOM 1011 C GLY A 73 -11.423 9.397 -1.605 1.00 0.00 C ATOM 1012 O GLY A 73 -11.197 8.263 -2.024 1.00 0.00 O ATOM 0 H GLY A 73 -13.484 10.088 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.240 11.203 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.811 10.994 -2.024 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.196 9.798 -0.363 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.644 8.890 0.627 1.00 0.00 C ATOM 1018 C TYR A 74 -11.703 7.899 1.115 1.00 0.00 C ATOM 1019 O TYR A 74 -11.609 6.702 0.848 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.202 9.765 1.802 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.526 8.991 2.935 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -8.183 8.683 2.854 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -10.258 8.600 4.037 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -7.546 7.954 3.921 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -9.622 7.872 5.104 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.297 7.584 4.993 1.00 0.00 C ATOM 1027 OH TYR A 74 -7.696 6.896 6.000 1.00 0.00 O ATOM 0 H TYR A 74 -11.384 10.740 -0.020 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.822 8.314 0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.514 10.527 1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.072 10.286 2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.610 8.988 1.991 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.309 8.840 4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.496 7.707 3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.184 7.562 5.973 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.353 6.699 6.700 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.688 8.435 1.821 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.764 7.614 2.348 1.00 0.00 C ATOM 1039 C LEU A 75 -14.256 6.663 1.255 1.00 0.00 C ATOM 1040 O LEU A 75 -14.467 5.477 1.508 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.867 8.492 2.941 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.772 8.765 4.444 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -13.572 9.658 4.764 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -16.081 9.349 4.979 1.00 0.00 C ATOM 0 H LEU A 75 -12.763 9.428 2.040 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.404 6.996 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.864 9.448 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.828 8.020 2.738 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.611 7.815 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.528 9.837 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.655 9.166 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.677 10.609 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.987 9.534 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.297 10.286 4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.893 8.644 4.803 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.424 7.218 0.064 1.00 0.00 N ATOM 1057 CA ARG A 76 -14.887 6.434 -1.068 1.00 0.00 C ATOM 1058 C ARG A 76 -13.983 5.218 -1.277 1.00 0.00 C ATOM 1059 O ARG A 76 -14.469 4.112 -1.511 1.00 0.00 O ATOM 1060 CB ARG A 76 -14.906 7.272 -2.348 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.201 8.080 -2.455 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.356 7.202 -2.940 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.631 7.948 -2.852 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.841 7.385 -2.969 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.949 6.066 -3.179 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -20.944 8.140 -2.876 1.00 0.00 N ATOM 0 H ARG A 76 -14.248 8.201 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.902 6.103 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.050 7.947 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.807 6.620 -3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -16.448 8.508 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.058 8.913 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.179 6.889 -3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.413 6.296 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.586 8.954 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -19.110 5.490 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.870 5.638 -3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -20.863 9.144 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.865 7.711 -2.965 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.684 5.463 -1.185 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.708 4.401 -1.361 1.00 0.00 C ATOM 1082 C ALA A 77 -11.626 3.572 -0.078 1.00 0.00 C ATOM 1083 O ALA A 77 -11.378 2.368 -0.127 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.359 5.008 -1.751 1.00 0.00 C ATOM 0 H ALA A 77 -12.285 6.381 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.009 3.732 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.626 4.212 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.465 5.562 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.023 5.683 -0.964 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.838 4.249 1.041 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.791 3.590 2.335 1.00 0.00 C ATOM 1092 C VAL A 78 -12.948 2.595 2.438 1.00 0.00 C ATOM 1093 O VAL A 78 -12.754 1.452 2.851 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.799 4.634 3.454 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -11.702 3.966 4.828 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.675 5.654 3.261 1.00 0.00 C ATOM 0 H VAL A 78 -12.043 5.248 1.078 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.865 3.024 2.442 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.748 5.168 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.710 4.730 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.551 3.297 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.776 3.394 4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.704 6.384 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.713 5.141 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.806 6.164 2.307 1.00 0.00 H new ATOM 1106 N ASP A 79 -14.127 3.065 2.057 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.315 2.230 2.101 1.00 0.00 C ATOM 1108 C ASP A 79 -15.107 1.006 1.207 1.00 0.00 C ATOM 1109 O ASP A 79 -15.604 -0.078 1.507 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.541 2.989 1.587 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.882 2.496 2.133 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -18.279 3.003 3.205 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.480 1.623 1.468 1.00 0.00 O ATOM 0 H ASP A 79 -14.285 4.013 1.716 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.482 1.935 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.429 4.044 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.562 2.922 0.499 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.373 1.222 0.125 1.00 0.00 N ATOM 1119 CA LEU A 80 -14.093 0.150 -0.815 1.00 0.00 C ATOM 1120 C LEU A 80 -13.312 -0.957 -0.103 1.00 0.00 C ATOM 1121 O LEU A 80 -13.715 -2.119 -0.125 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.389 0.697 -2.058 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.290 1.360 -3.102 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.472 1.856 -4.296 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.417 0.418 -3.531 1.00 0.00 C ATOM 0 H LEU A 80 -13.964 2.123 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.022 -0.294 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.642 1.423 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.853 -0.122 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.756 2.233 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.136 2.323 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.737 2.585 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.960 1.014 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.043 0.914 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.990 -0.487 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.022 0.156 -2.663 1.00 0.00 H new ATOM 1137 N ILE A 81 -12.209 -0.556 0.512 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.368 -1.499 1.230 1.00 0.00 C ATOM 1139 C ILE A 81 -12.120 -2.016 2.458 1.00 0.00 C ATOM 1140 O ILE A 81 -11.879 -3.132 2.914 1.00 0.00 O ATOM 1141 CB ILE A 81 -10.014 -0.867 1.559 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -9.144 -0.750 0.307 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.308 -1.635 2.679 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -9.091 0.695 -0.192 1.00 0.00 C ATOM 0 H ILE A 81 -11.878 0.409 0.528 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.147 -2.364 0.605 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.189 0.145 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.135 -1.099 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.541 -1.395 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.348 -1.165 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.927 -1.621 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.145 -2.666 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.466 0.749 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.098 1.033 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.671 1.333 0.585 1.00 0.00 H new ATOM 1156 N ARG A 82 -13.017 -1.179 2.958 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.807 -1.537 4.124 1.00 0.00 C ATOM 1158 C ARG A 82 -14.710 -2.730 3.807 1.00 0.00 C ATOM 1159 O ARG A 82 -14.670 -3.745 4.501 1.00 0.00 O ATOM 1160 CB ARG A 82 -14.670 -0.361 4.587 1.00 0.00 C ATOM 1161 CG ARG A 82 -13.820 0.701 5.286 1.00 0.00 C ATOM 1162 CD ARG A 82 -14.282 0.910 6.730 1.00 0.00 C ATOM 1163 NE ARG A 82 -13.412 1.901 7.402 1.00 0.00 N ATOM 1164 CZ ARG A 82 -13.582 2.316 8.664 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -14.591 1.829 9.400 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -12.743 3.218 9.192 1.00 0.00 N ATOM 0 H ARG A 82 -13.214 -0.254 2.577 1.00 0.00 H new ATOM 0 HA ARG A 82 -13.116 -1.803 4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.178 0.081 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.443 -0.718 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.773 0.399 5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.885 1.642 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.316 1.254 6.743 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.254 -0.036 7.270 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.634 2.292 6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.230 1.142 8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.720 2.145 10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.975 3.589 8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.873 3.534 10.153 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.504 -2.569 2.758 1.00 0.00 N ATOM 1181 CA HIS A 83 -16.416 -3.621 2.341 1.00 0.00 C ATOM 1182 C HIS A 83 -15.729 -4.515 1.308 1.00 0.00 C ATOM 1183 O HIS A 83 -16.369 -4.996 0.374 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.732 -3.029 1.832 1.00 0.00 C ATOM 1185 CG HIS A 83 -18.367 -2.039 2.779 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -18.283 -0.669 2.599 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -19.097 -2.234 3.914 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -18.936 -0.076 3.588 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -19.440 -1.048 4.402 1.00 0.00 N ATOM 0 H HIS A 83 -15.535 -1.726 2.185 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.673 -4.245 3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.552 -2.537 0.876 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -18.435 -3.840 1.646 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -17.800 -0.196 1.835 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -19.353 -3.191 4.343 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -19.049 0.989 3.725 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.434 -4.712 1.510 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.653 -5.540 0.607 1.00 0.00 C ATOM 1199 C GLY A 84 -14.178 -6.977 0.589 1.00 0.00 C ATOM 1200 O GLY A 84 -15.386 -7.200 0.520 1.00 0.00 O ATOM 0 H GLY A 84 -13.906 -4.312 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.691 -5.123 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.608 -5.535 0.915 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.245 -7.915 0.654 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.598 -9.325 0.646 1.00 0.00 C ATOM 1206 C GLY A 85 -12.476 -10.174 1.246 1.00 0.00 C ATOM 1207 O GLY A 85 -11.471 -9.641 1.713 1.00 0.00 O ATOM 0 H GLY A 85 -12.244 -7.726 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.517 -9.477 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.797 -9.648 -0.376 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.686 -11.482 1.213 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.704 -12.411 1.748 1.00 0.00 C ATOM 1213 C LYS A 86 -10.299 -11.921 1.394 1.00 0.00 C ATOM 1214 O LYS A 86 -9.418 -11.878 2.252 1.00 0.00 O ATOM 1215 CB LYS A 86 -11.998 -13.835 1.270 1.00 0.00 C ATOM 1216 CG LYS A 86 -13.441 -14.232 1.586 1.00 0.00 C ATOM 1217 CD LYS A 86 -13.518 -15.682 2.067 1.00 0.00 C ATOM 1218 CE LYS A 86 -14.853 -15.960 2.761 1.00 0.00 C ATOM 1219 NZ LYS A 86 -14.636 -16.313 4.181 1.00 0.00 N ATOM 0 H LYS A 86 -13.521 -11.920 0.824 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.765 -12.446 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.825 -13.905 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.312 -14.533 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.845 -13.569 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.059 -14.107 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.397 -16.357 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.697 -15.885 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.495 -15.082 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.371 -16.774 2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.552 -16.498 4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.041 -17.164 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.161 -15.525 4.666 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.132 -11.564 0.129 1.00 0.00 N ATOM 1234 CA LYS A 87 -8.849 -11.079 -0.348 1.00 0.00 C ATOM 1235 C LYS A 87 -9.036 -9.705 -0.995 1.00 0.00 C ATOM 1236 O LYS A 87 -9.961 -9.506 -1.781 1.00 0.00 O ATOM 1237 CB LYS A 87 -8.197 -12.109 -1.273 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.189 -11.618 -2.722 1.00 0.00 C ATOM 1239 CD LYS A 87 -7.913 -12.771 -3.690 1.00 0.00 C ATOM 1240 CE LYS A 87 -8.662 -12.570 -5.008 1.00 0.00 C ATOM 1241 NZ LYS A 87 -8.968 -13.876 -5.635 1.00 0.00 N ATOM 0 H LYS A 87 -10.864 -11.601 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.158 -10.949 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.176 -12.302 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.737 -13.054 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.149 -11.160 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.429 -10.846 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.842 -12.841 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.217 -13.714 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.586 -12.021 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.060 -11.966 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.477 -13.721 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.082 -14.386 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.561 -14.439 -4.992 1.00 0.00 H new ATOM 1255 N MET A 88 -8.144 -8.792 -0.638 1.00 0.00 N ATOM 1256 CA MET A 88 -8.200 -7.443 -1.174 1.00 0.00 C ATOM 1257 C MET A 88 -7.079 -7.209 -2.189 1.00 0.00 C ATOM 1258 O MET A 88 -5.911 -7.464 -1.899 1.00 0.00 O ATOM 1259 CB MET A 88 -8.072 -6.434 -0.030 1.00 0.00 C ATOM 1260 CG MET A 88 -9.131 -6.687 1.045 1.00 0.00 C ATOM 1261 SD MET A 88 -9.862 -5.141 1.556 1.00 0.00 S ATOM 1262 CE MET A 88 -10.346 -4.486 -0.032 1.00 0.00 C ATOM 0 H MET A 88 -7.379 -8.960 0.015 1.00 0.00 H new ATOM 0 HA MET A 88 -9.156 -7.313 -1.681 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.077 -6.503 0.411 1.00 0.00 H new ATOM 0 HB3 MET A 88 -8.179 -5.422 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.902 -7.353 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.679 -7.186 1.902 1.00 0.00 H new ATOM 0 HE1 MET A 88 -11.351 -4.071 0.037 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.649 -3.702 -0.330 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.333 -5.284 -0.774 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.474 -6.726 -3.357 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.517 -6.454 -4.417 1.00 0.00 C ATOM 1274 C ARG A 89 -6.253 -4.951 -4.521 1.00 0.00 C ATOM 1275 O ARG A 89 -7.178 -4.146 -4.420 1.00 0.00 O ATOM 1276 CB ARG A 89 -7.027 -6.971 -5.764 1.00 0.00 C ATOM 1277 CG ARG A 89 -6.024 -6.671 -6.881 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.522 -7.210 -8.223 1.00 0.00 C ATOM 1279 NE ARG A 89 -6.641 -6.104 -9.200 1.00 0.00 N ATOM 1280 CZ ARG A 89 -7.030 -6.264 -10.472 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -7.339 -7.485 -10.930 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -7.109 -5.203 -11.287 1.00 0.00 N ATOM 0 H ARG A 89 -8.444 -6.516 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.590 -6.972 -4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.199 -8.046 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.986 -6.507 -5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.866 -5.595 -6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.060 -7.120 -6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.833 -7.966 -8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.489 -7.697 -8.093 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.413 -5.161 -8.885 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.278 -8.293 -10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.635 -7.607 -11.898 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.873 -4.274 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.405 -5.325 -12.255 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.987 -4.618 -4.723 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.589 -3.225 -4.842 1.00 0.00 C ATOM 1298 C PHE A 90 -3.554 -3.044 -5.955 1.00 0.00 C ATOM 1299 O PHE A 90 -2.630 -3.845 -6.084 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.960 -2.824 -3.507 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.774 -3.249 -2.283 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.983 -2.677 -2.037 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.288 -4.200 -1.440 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.738 -3.072 -0.901 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.042 -4.595 -0.304 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.252 -4.023 -0.059 1.00 0.00 C ATOM 0 H PHE A 90 -4.223 -5.289 -4.807 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.455 -2.610 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.965 -3.264 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.832 -1.742 -3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.369 -1.922 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.328 -4.655 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.698 -2.617 -0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.655 -5.349 0.365 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.827 -4.324 0.804 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.745 -1.986 -6.729 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.840 -1.689 -7.827 1.00 0.00 C ATOM 1318 C LEU A 91 -1.798 -0.671 -7.361 1.00 0.00 C ATOM 1319 O LEU A 91 -2.000 0.535 -7.494 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.624 -1.246 -9.063 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.796 -0.977 -10.322 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -2.042 -2.234 -10.761 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.671 -0.413 -11.443 1.00 0.00 C ATOM 0 H LEU A 91 -4.513 -1.324 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.298 -2.586 -8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.362 -2.014 -9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.175 -0.339 -8.814 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.049 -0.220 -10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.462 -2.016 -11.657 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.371 -2.553 -9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.755 -3.030 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.058 -0.231 -12.326 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.456 -1.129 -11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.123 0.523 -11.116 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.705 -1.193 -6.824 1.00 0.00 N ATOM 1336 CA VAL A 92 0.369 -0.344 -6.338 1.00 0.00 C ATOM 1337 C VAL A 92 1.352 -0.069 -7.478 1.00 0.00 C ATOM 1338 O VAL A 92 1.426 -0.835 -8.437 1.00 0.00 O ATOM 1339 CB VAL A 92 1.033 -0.986 -5.118 1.00 0.00 C ATOM 1340 CG1 VAL A 92 2.073 -0.048 -4.502 1.00 0.00 C ATOM 1341 CG2 VAL A 92 -0.012 -1.404 -4.081 1.00 0.00 C ATOM 0 H VAL A 92 -0.540 -2.194 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.024 0.618 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 92 1.550 -1.885 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.530 -0.529 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.843 0.177 -5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.589 0.877 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.487 -1.857 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.571 -0.527 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.697 -2.126 -4.526 1.00 0.00 H new ATOM 1351 N ALA A 93 2.083 1.027 -7.335 1.00 0.00 N ATOM 1352 CA ALA A 93 3.058 1.413 -8.341 1.00 0.00 C ATOM 1353 C ALA A 93 4.438 1.525 -7.691 1.00 0.00 C ATOM 1354 O ALA A 93 4.552 1.534 -6.466 1.00 0.00 O ATOM 1355 CB ALA A 93 2.617 2.719 -9.005 1.00 0.00 C ATOM 0 H ALA A 93 2.020 1.660 -6.538 1.00 0.00 H new ATOM 0 HA ALA A 93 3.123 0.656 -9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.348 3.009 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.645 2.577 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.543 3.503 -8.252 1.00 0.00 H new ATOM 1361 N LYS A 94 5.452 1.608 -8.540 1.00 0.00 N ATOM 1362 CA LYS A 94 6.820 1.720 -8.063 1.00 0.00 C ATOM 1363 C LYS A 94 7.086 3.161 -7.624 1.00 0.00 C ATOM 1364 O LYS A 94 7.423 4.012 -8.446 1.00 0.00 O ATOM 1365 CB LYS A 94 7.799 1.208 -9.121 1.00 0.00 C ATOM 1366 CG LYS A 94 8.944 0.425 -8.475 1.00 0.00 C ATOM 1367 CD LYS A 94 9.885 1.359 -7.711 1.00 0.00 C ATOM 1368 CE LYS A 94 10.528 2.379 -8.653 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.999 2.385 -8.484 1.00 0.00 N ATOM 0 H LYS A 94 5.354 1.600 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 94 6.972 1.087 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.272 0.570 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.202 2.049 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.539 -0.324 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.502 -0.110 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.331 1.879 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.661 0.775 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.276 2.139 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.129 3.373 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.420 3.083 -9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.235 2.636 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.377 1.441 -8.700 1.00 0.00 H new ATOM 1383 N SER A 95 6.926 3.391 -6.329 1.00 0.00 N ATOM 1384 CA SER A 95 7.145 4.715 -5.771 1.00 0.00 C ATOM 1385 C SER A 95 8.638 4.937 -5.522 1.00 0.00 C ATOM 1386 O SER A 95 9.426 3.994 -5.571 1.00 0.00 O ATOM 1387 CB SER A 95 6.356 4.903 -4.474 1.00 0.00 C ATOM 1388 OG SER A 95 4.949 4.862 -4.694 1.00 0.00 O ATOM 0 H SER A 95 6.647 2.683 -5.650 1.00 0.00 H new ATOM 0 HA SER A 95 6.790 5.453 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.635 4.124 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.624 5.858 -4.022 1.00 0.00 H new ATOM 0 HG SER A 95 4.482 5.114 -3.870 1.00 0.00 H new ATOM 1394 N ASP A 96 8.982 6.189 -5.260 1.00 0.00 N ATOM 1395 CA ASP A 96 10.366 6.547 -5.003 1.00 0.00 C ATOM 1396 C ASP A 96 10.542 6.849 -3.513 1.00 0.00 C ATOM 1397 O ASP A 96 9.561 6.991 -2.785 1.00 0.00 O ATOM 1398 CB ASP A 96 10.767 7.797 -5.789 1.00 0.00 C ATOM 1399 CG ASP A 96 10.944 7.585 -7.294 1.00 0.00 C ATOM 1400 OD1 ASP A 96 11.975 6.983 -7.665 1.00 0.00 O ATOM 1401 OD2 ASP A 96 10.044 8.028 -8.040 1.00 0.00 O ATOM 0 H ASP A 96 8.326 6.969 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 96 10.993 5.711 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.010 8.565 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.701 8.182 -5.379 1.00 0.00 H new ATOM 1406 N VAL A 97 11.799 6.939 -3.105 1.00 0.00 N ATOM 1407 CA VAL A 97 12.117 7.222 -1.716 1.00 0.00 C ATOM 1408 C VAL A 97 11.533 8.583 -1.331 1.00 0.00 C ATOM 1409 O VAL A 97 10.835 8.701 -0.325 1.00 0.00 O ATOM 1410 CB VAL A 97 13.628 7.136 -1.496 1.00 0.00 C ATOM 1411 CG1 VAL A 97 14.146 5.728 -1.794 1.00 0.00 C ATOM 1412 CG2 VAL A 97 14.365 8.181 -2.337 1.00 0.00 C ATOM 0 H VAL A 97 12.610 6.821 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 97 11.665 6.477 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 97 13.826 7.351 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.223 5.694 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.656 5.013 -1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.929 5.472 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.438 8.098 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.156 8.012 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.027 9.178 -2.056 1.00 0.00 H new ATOM 1422 N GLU A 98 11.840 9.577 -2.151 1.00 0.00 N ATOM 1423 CA GLU A 98 11.355 10.925 -1.909 1.00 0.00 C ATOM 1424 C GLU A 98 9.871 10.896 -1.540 1.00 0.00 C ATOM 1425 O GLU A 98 9.463 11.498 -0.548 1.00 0.00 O ATOM 1426 CB GLU A 98 11.600 11.822 -3.124 1.00 0.00 C ATOM 1427 CG GLU A 98 12.847 12.686 -2.924 1.00 0.00 C ATOM 1428 CD GLU A 98 14.034 12.127 -3.712 1.00 0.00 C ATOM 1429 OE1 GLU A 98 13.823 11.799 -4.899 1.00 0.00 O ATOM 1430 OE2 GLU A 98 15.125 12.041 -3.108 1.00 0.00 O ATOM 0 H GLU A 98 12.419 9.476 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 98 11.910 11.345 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.718 11.207 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.733 12.461 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.641 13.707 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.098 12.729 -1.864 1.00 0.00 H new ATOM 1437 N THR A 99 9.103 10.190 -2.357 1.00 0.00 N ATOM 1438 CA THR A 99 7.673 10.075 -2.129 1.00 0.00 C ATOM 1439 C THR A 99 7.396 9.668 -0.680 1.00 0.00 C ATOM 1440 O THR A 99 6.504 10.220 -0.037 1.00 0.00 O ATOM 1441 CB THR A 99 7.108 9.092 -3.155 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.823 9.902 -4.292 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.743 8.535 -2.743 1.00 0.00 C ATOM 0 H THR A 99 9.445 9.691 -3.179 1.00 0.00 H new ATOM 0 HA THR A 99 7.172 11.033 -2.266 1.00 0.00 H new ATOM 0 HB THR A 99 7.809 8.269 -3.293 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.454 9.343 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.387 7.843 -3.506 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.836 8.011 -1.792 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.032 9.355 -2.637 1.00 0.00 H new ATOM 1451 N ALA A 100 8.176 8.706 -0.210 1.00 0.00 N ATOM 1452 CA ALA A 100 8.025 8.219 1.151 1.00 0.00 C ATOM 1453 C ALA A 100 8.377 9.340 2.131 1.00 0.00 C ATOM 1454 O ALA A 100 7.668 9.555 3.113 1.00 0.00 O ATOM 1455 CB ALA A 100 8.897 6.977 1.348 1.00 0.00 C ATOM 0 H ALA A 100 8.914 8.251 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 100 6.993 7.926 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.784 6.611 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.588 6.201 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.941 7.233 1.168 1.00 0.00 H new ATOM 1461 N LYS A 101 9.470 10.025 1.830 1.00 0.00 N ATOM 1462 CA LYS A 101 9.924 11.118 2.673 1.00 0.00 C ATOM 1463 C LYS A 101 8.737 12.023 3.009 1.00 0.00 C ATOM 1464 O LYS A 101 8.454 12.272 4.180 1.00 0.00 O ATOM 1465 CB LYS A 101 11.091 11.854 2.012 1.00 0.00 C ATOM 1466 CG LYS A 101 12.227 10.888 1.673 1.00 0.00 C ATOM 1467 CD LYS A 101 13.531 11.644 1.411 1.00 0.00 C ATOM 1468 CE LYS A 101 14.709 10.677 1.277 1.00 0.00 C ATOM 1469 NZ LYS A 101 14.805 9.808 2.471 1.00 0.00 N ATOM 0 H LYS A 101 10.055 9.844 1.014 1.00 0.00 H new ATOM 0 HA LYS A 101 10.312 10.736 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.746 12.348 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.459 12.634 2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.369 10.185 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.960 10.301 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.436 12.235 0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.720 12.343 2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.585 10.065 0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.635 11.238 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.805 9.670 2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.308 10.256 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.370 8.886 2.265 1.00 0.00 H new ATOM 1483 N LYS A 102 8.075 12.491 1.961 1.00 0.00 N ATOM 1484 CA LYS A 102 6.925 13.363 2.131 1.00 0.00 C ATOM 1485 C LYS A 102 5.884 12.663 3.006 1.00 0.00 C ATOM 1486 O LYS A 102 5.247 13.296 3.847 1.00 0.00 O ATOM 1487 CB LYS A 102 6.386 13.809 0.770 1.00 0.00 C ATOM 1488 CG LYS A 102 7.453 14.570 -0.020 1.00 0.00 C ATOM 1489 CD LYS A 102 7.682 13.928 -1.390 1.00 0.00 C ATOM 1490 CE LYS A 102 8.907 14.530 -2.080 1.00 0.00 C ATOM 1491 NZ LYS A 102 8.541 15.074 -3.406 1.00 0.00 N ATOM 0 H LYS A 102 8.313 12.283 0.991 1.00 0.00 H new ATOM 0 HA LYS A 102 7.213 14.278 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.059 12.938 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.511 14.444 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.145 15.608 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.387 14.581 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.818 12.853 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.801 14.072 -2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.329 15.321 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.679 13.768 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.385 15.479 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.160 14.311 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.821 15.815 -3.290 1.00 0.00 H new ATOM 1505 N ILE A 103 5.742 11.365 2.778 1.00 0.00 N ATOM 1506 CA ILE A 103 4.789 10.572 3.535 1.00 0.00 C ATOM 1507 C ILE A 103 5.193 10.569 5.011 1.00 0.00 C ATOM 1508 O ILE A 103 4.335 10.593 5.892 1.00 0.00 O ATOM 1509 CB ILE A 103 4.657 9.173 2.930 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.152 9.244 1.488 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.773 8.279 3.804 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.631 9.089 1.431 1.00 0.00 C ATOM 0 H ILE A 103 6.271 10.843 2.080 1.00 0.00 H new ATOM 0 HA ILE A 103 3.794 11.014 3.478 1.00 0.00 H new ATOM 0 HB ILE A 103 5.647 8.718 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.441 10.197 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.623 8.460 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.695 7.290 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.214 8.190 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.779 8.719 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.298 9.143 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.347 8.125 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.162 9.888 2.005 1.00 0.00 H new ATOM 1524 N HIS A 104 6.498 10.539 5.234 1.00 0.00 N ATOM 1525 CA HIS A 104 7.026 10.532 6.588 1.00 0.00 C ATOM 1526 C HIS A 104 8.388 11.229 6.611 1.00 0.00 C ATOM 1527 O HIS A 104 9.369 10.701 6.090 1.00 0.00 O ATOM 1528 CB HIS A 104 7.080 9.108 7.143 1.00 0.00 C ATOM 1529 CG HIS A 104 8.101 8.223 6.468 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.265 7.811 7.092 1.00 0.00 N ATOM 1531 CD2 HIS A 104 8.120 7.677 5.218 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.947 7.052 6.247 1.00 0.00 C ATOM 1533 NE2 HIS A 104 9.235 6.971 5.086 1.00 0.00 N ATOM 0 H HIS A 104 7.206 10.519 4.500 1.00 0.00 H new ATOM 0 HA HIS A 104 6.359 11.091 7.245 1.00 0.00 H new ATOM 0 HB2 HIS A 104 7.302 9.153 8.209 1.00 0.00 H new ATOM 0 HB3 HIS A 104 6.095 8.652 7.041 1.00 0.00 H new ATOM 0 HD1 HIS A 104 9.550 8.051 8.042 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.357 7.799 4.464 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.899 6.581 6.443 1.00 0.00 H new ATOM 1541 N SER A 105 8.404 12.406 7.221 1.00 0.00 N ATOM 1542 CA SER A 105 9.629 13.181 7.319 1.00 0.00 C ATOM 1543 C SER A 105 10.298 12.932 8.672 1.00 0.00 C ATOM 1544 O SER A 105 11.394 12.377 8.734 1.00 0.00 O ATOM 1545 CB SER A 105 9.353 14.674 7.130 1.00 0.00 C ATOM 1546 OG SER A 105 8.530 14.925 5.994 1.00 0.00 O ATOM 0 H SER A 105 7.588 12.841 7.652 1.00 0.00 H new ATOM 0 HA SER A 105 10.302 12.860 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.869 15.069 8.023 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.298 15.206 7.018 1.00 0.00 H new ATOM 0 HG SER A 105 8.562 14.154 5.390 1.00 0.00 H new ATOM 1552 N GLY A 106 9.612 13.356 9.723 1.00 0.00 N ATOM 1553 CA GLY A 106 10.126 13.186 11.071 1.00 0.00 C ATOM 1554 C GLY A 106 11.002 14.373 11.477 1.00 0.00 C ATOM 1555 O GLY A 106 11.358 15.201 10.640 1.00 0.00 O ATOM 0 H GLY A 106 8.704 13.817 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.296 13.086 11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.706 12.265 11.130 1.00 0.00 H new ATOM 1559 N PRO A 107 11.334 14.418 12.795 1.00 0.00 N ATOM 1560 CA PRO A 107 12.162 15.489 13.322 1.00 0.00 C ATOM 1561 C PRO A 107 13.627 15.296 12.925 1.00 0.00 C ATOM 1562 O PRO A 107 14.046 14.185 12.605 1.00 0.00 O ATOM 1563 CB PRO A 107 11.945 15.450 14.826 1.00 0.00 C ATOM 1564 CG PRO A 107 11.373 14.075 15.130 1.00 0.00 C ATOM 1565 CD PRO A 107 10.931 13.453 13.815 1.00 0.00 C ATOM 0 HA PRO A 107 11.893 16.465 12.919 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.882 15.610 15.360 1.00 0.00 H new ATOM 0 HB3 PRO A 107 11.260 16.237 15.142 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.121 13.449 15.616 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.530 14.155 15.817 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.407 12.485 13.655 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.854 13.285 13.798 1.00 0.00 H new ATOM 1573 N SER A 108 14.365 16.396 12.958 1.00 0.00 N ATOM 1574 CA SER A 108 15.774 16.362 12.605 1.00 0.00 C ATOM 1575 C SER A 108 15.931 16.153 11.097 1.00 0.00 C ATOM 1576 O SER A 108 15.096 15.508 10.466 1.00 0.00 O ATOM 1577 CB SER A 108 16.508 15.261 13.372 1.00 0.00 C ATOM 1578 OG SER A 108 17.919 15.458 13.370 1.00 0.00 O ATOM 0 H SER A 108 14.014 17.316 13.224 1.00 0.00 H new ATOM 0 HA SER A 108 16.218 17.318 12.881 1.00 0.00 H new ATOM 0 HB2 SER A 108 16.147 15.233 14.400 1.00 0.00 H new ATOM 0 HB3 SER A 108 16.277 14.293 12.927 1.00 0.00 H new ATOM 0 HG SER A 108 18.351 14.735 13.871 1.00 0.00 H new ATOM 1584 N SER A 109 17.008 16.712 10.563 1.00 0.00 N ATOM 1585 CA SER A 109 17.285 16.595 9.142 1.00 0.00 C ATOM 1586 C SER A 109 17.888 15.222 8.838 1.00 0.00 C ATOM 1587 O SER A 109 18.619 14.666 9.655 1.00 0.00 O ATOM 1588 CB SER A 109 18.227 17.705 8.671 1.00 0.00 C ATOM 1589 OG SER A 109 18.265 17.806 7.250 1.00 0.00 O ATOM 0 H SER A 109 17.699 17.247 11.090 1.00 0.00 H new ATOM 0 HA SER A 109 16.345 16.700 8.600 1.00 0.00 H new ATOM 0 HB2 SER A 109 17.905 18.657 9.094 1.00 0.00 H new ATOM 0 HB3 SER A 109 19.231 17.512 9.048 1.00 0.00 H new ATOM 0 HG SER A 109 18.876 18.527 6.989 1.00 0.00 H new ATOM 1595 N GLY A 110 17.558 14.715 7.659 1.00 0.00 N ATOM 1596 CA GLY A 110 18.058 13.417 7.236 1.00 0.00 C ATOM 1597 C GLY A 110 16.989 12.643 6.463 1.00 0.00 C ATOM 1598 O GLY A 110 17.269 11.587 5.897 1.00 0.00 O ATOM 0 H GLY A 110 16.951 15.179 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 110 18.940 13.550 6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 110 18.370 12.842 8.108 1.00 0.00 H new TER 1602 GLY A 110