USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 897 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 10 TYR OH : rot 64:sc= 0.946 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.826 K(o=1.8,f=0.25) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0611 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0266 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0976 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 160:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 0.336 (180deg=0.102) USER MOD Single : A 21 MET CE :methyl -172:sc= 0 (180deg=-0.0792) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -69:sc= 0.715 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= -4.08! C(o=-4.1!,f=-9.2!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.446 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.233 USER MOD Single : A 43 HIS : no HD1:sc= -0.594 K(o=-0.59,f=-0.052) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 20:sc= 0.124 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 48:sc= -0.0531! USER MOD Single : A 85 THR OG1 : rot 150:sc= -0.141 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0125 K(o=-0.013,f=-0.61) USER MOD Single : A 92 CYS SG : rot -161:sc= -1.08 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.1) USER MOD Single : A 107 GLN : amide:sc= -2.55! C(o=-2.6!,f=-4.6!) USER MOD Single : A 108 SER OG : rot -36:sc= 0.0903 USER MOD Single : A 109 CYS SG : rot 41:sc= -0.481 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc=-0.00513 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.192 -19.211 -1.727 1.00 0.00 N ATOM 2 CA GLY A 1 -7.848 -19.220 -2.280 1.00 0.00 C ATOM 3 C GLY A 1 -7.669 -18.099 -3.305 1.00 0.00 C ATOM 4 O GLY A 1 -8.364 -17.086 -3.250 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.140 -19.157 -0.690 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.712 -18.387 -2.091 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.687 -20.083 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.120 -19.103 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.651 -20.183 -2.751 1.00 0.00 H new ATOM 8 N SER A 2 -6.734 -18.319 -4.217 1.00 0.00 N ATOM 9 CA SER A 2 -6.455 -17.339 -5.254 1.00 0.00 C ATOM 10 C SER A 2 -6.174 -18.047 -6.581 1.00 0.00 C ATOM 11 O SER A 2 -5.570 -19.119 -6.601 1.00 0.00 O ATOM 12 CB SER A 2 -5.272 -16.449 -4.867 1.00 0.00 C ATOM 13 OG SER A 2 -5.283 -15.211 -5.572 1.00 0.00 O ATOM 0 H SER A 2 -6.160 -19.161 -4.260 1.00 0.00 H new ATOM 0 HA SER A 2 -7.332 -16.702 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.299 -16.256 -3.795 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.340 -16.975 -5.073 1.00 0.00 H new ATOM 0 HG SER A 2 -4.513 -14.671 -5.296 1.00 0.00 H new ATOM 19 N SER A 3 -6.626 -17.420 -7.657 1.00 0.00 N ATOM 20 CA SER A 3 -6.430 -17.977 -8.985 1.00 0.00 C ATOM 21 C SER A 3 -5.111 -17.474 -9.574 1.00 0.00 C ATOM 22 O SER A 3 -4.396 -18.226 -10.236 1.00 0.00 O ATOM 23 CB SER A 3 -7.595 -17.618 -9.909 1.00 0.00 C ATOM 24 OG SER A 3 -7.456 -16.312 -10.461 1.00 0.00 O ATOM 0 H SER A 3 -7.127 -16.532 -7.637 1.00 0.00 H new ATOM 0 HA SER A 3 -6.391 -19.063 -8.899 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.656 -18.348 -10.716 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.531 -17.679 -9.353 1.00 0.00 H new ATOM 0 HG SER A 3 -8.219 -16.121 -11.046 1.00 0.00 H new ATOM 30 N GLY A 4 -4.827 -16.207 -9.312 1.00 0.00 N ATOM 31 CA GLY A 4 -3.606 -15.595 -9.809 1.00 0.00 C ATOM 32 C GLY A 4 -3.535 -15.674 -11.335 1.00 0.00 C ATOM 33 O GLY A 4 -3.163 -16.706 -11.890 1.00 0.00 O ATOM 0 H GLY A 4 -5.421 -15.587 -8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.563 -14.553 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.741 -16.096 -9.375 1.00 0.00 H new ATOM 37 N SER A 5 -3.898 -14.569 -11.970 1.00 0.00 N ATOM 38 CA SER A 5 -3.879 -14.499 -13.421 1.00 0.00 C ATOM 39 C SER A 5 -2.440 -14.355 -13.920 1.00 0.00 C ATOM 40 O SER A 5 -1.981 -15.149 -14.739 1.00 0.00 O ATOM 41 CB SER A 5 -4.736 -13.337 -13.928 1.00 0.00 C ATOM 42 OG SER A 5 -4.320 -12.089 -13.379 1.00 0.00 O ATOM 0 H SER A 5 -4.207 -13.715 -11.506 1.00 0.00 H new ATOM 0 HA SER A 5 -4.301 -15.424 -13.813 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.679 -13.292 -15.016 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.780 -13.517 -13.671 1.00 0.00 H new ATOM 0 HG SER A 5 -4.890 -11.372 -13.728 1.00 0.00 H new ATOM 48 N SER A 6 -1.769 -13.335 -13.405 1.00 0.00 N ATOM 49 CA SER A 6 -0.391 -13.077 -13.788 1.00 0.00 C ATOM 50 C SER A 6 0.239 -12.068 -12.826 1.00 0.00 C ATOM 51 O SER A 6 1.309 -12.318 -12.272 1.00 0.00 O ATOM 52 CB SER A 6 -0.307 -12.563 -15.227 1.00 0.00 C ATOM 53 OG SER A 6 0.542 -13.374 -16.035 1.00 0.00 O ATOM 0 H SER A 6 -2.154 -12.678 -12.726 1.00 0.00 H new ATOM 0 HA SER A 6 0.161 -14.015 -13.733 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.306 -12.538 -15.662 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.065 -11.538 -15.225 1.00 0.00 H new ATOM 0 HG SER A 6 0.568 -13.014 -16.946 1.00 0.00 H new ATOM 59 N GLY A 7 -0.451 -10.950 -12.656 1.00 0.00 N ATOM 60 CA GLY A 7 0.028 -9.902 -11.770 1.00 0.00 C ATOM 61 C GLY A 7 -0.885 -8.676 -11.828 1.00 0.00 C ATOM 62 O GLY A 7 -2.097 -8.791 -11.654 1.00 0.00 O ATOM 0 H GLY A 7 -1.338 -10.747 -13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.074 -10.278 -10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.042 -9.618 -12.051 1.00 0.00 H new ATOM 66 N ARG A 8 -0.268 -7.529 -12.072 1.00 0.00 N ATOM 67 CA ARG A 8 -1.010 -6.283 -12.154 1.00 0.00 C ATOM 68 C ARG A 8 -1.527 -5.880 -10.772 1.00 0.00 C ATOM 69 O ARG A 8 -2.123 -6.693 -10.067 1.00 0.00 O ATOM 70 CB ARG A 8 -2.192 -6.408 -13.117 1.00 0.00 C ATOM 71 CG ARG A 8 -2.194 -5.266 -14.135 1.00 0.00 C ATOM 72 CD ARG A 8 -2.577 -3.941 -13.473 1.00 0.00 C ATOM 73 NE ARG A 8 -1.569 -2.906 -13.792 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.440 -2.328 -14.994 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.254 -2.681 -15.998 1.00 0.00 N ATOM 76 NH2 ARG A 8 -0.496 -1.398 -15.192 1.00 0.00 N ATOM 0 H ARG A 8 0.738 -7.437 -12.216 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.331 -5.517 -12.528 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.141 -7.364 -13.638 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.126 -6.400 -12.555 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.207 -5.178 -14.589 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.896 -5.491 -14.938 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.560 -3.622 -13.820 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.647 -4.071 -12.393 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.932 -2.614 -13.050 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.972 -3.390 -15.847 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.156 -2.241 -16.913 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.124 -1.130 -14.428 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.398 -0.958 -16.107 1.00 0.00 H new ATOM 90 N SER A 9 -1.279 -4.626 -10.424 1.00 0.00 N ATOM 91 CA SER A 9 -1.712 -4.106 -9.139 1.00 0.00 C ATOM 92 C SER A 9 -2.686 -2.944 -9.345 1.00 0.00 C ATOM 93 O SER A 9 -3.254 -2.791 -10.425 1.00 0.00 O ATOM 94 CB SER A 9 -0.517 -3.653 -8.297 1.00 0.00 C ATOM 95 OG SER A 9 0.586 -4.548 -8.410 1.00 0.00 O ATOM 0 H SER A 9 -0.783 -3.955 -11.010 1.00 0.00 H new ATOM 0 HA SER A 9 -2.220 -4.906 -8.601 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.209 -2.656 -8.612 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.818 -3.578 -7.252 1.00 0.00 H new ATOM 0 HG SER A 9 1.409 -4.089 -8.140 1.00 0.00 H new ATOM 101 N TYR A 10 -2.849 -2.156 -8.293 1.00 0.00 N ATOM 102 CA TYR A 10 -3.745 -1.013 -8.345 1.00 0.00 C ATOM 103 C TYR A 10 -2.958 0.298 -8.401 1.00 0.00 C ATOM 104 O TYR A 10 -1.752 0.313 -8.158 1.00 0.00 O ATOM 105 CB TYR A 10 -4.555 -1.053 -7.048 1.00 0.00 C ATOM 106 CG TYR A 10 -5.880 -0.291 -7.119 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.765 -0.540 -8.148 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.190 0.645 -6.153 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.012 0.177 -8.215 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.437 1.362 -6.219 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.287 1.093 -7.247 1.00 0.00 C ATOM 112 OH TYR A 10 -9.464 1.770 -7.310 1.00 0.00 O ATOM 0 H TYR A 10 -2.376 -2.286 -7.399 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.375 -1.059 -9.233 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.759 -2.092 -6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.951 -0.637 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.522 -1.273 -8.903 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.497 0.840 -5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.713 -0.008 -9.015 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.692 2.097 -5.470 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.209 1.140 -7.215 1.00 0.00 H new ATOM 122 N GLU A 11 -3.672 1.366 -8.722 1.00 0.00 N ATOM 123 CA GLU A 11 -3.056 2.679 -8.813 1.00 0.00 C ATOM 124 C GLU A 11 -4.131 3.767 -8.867 1.00 0.00 C ATOM 125 O GLU A 11 -5.098 3.652 -9.617 1.00 0.00 O ATOM 126 CB GLU A 11 -2.127 2.766 -10.025 1.00 0.00 C ATOM 127 CG GLU A 11 -2.869 2.402 -11.312 1.00 0.00 C ATOM 128 CD GLU A 11 -2.150 1.278 -12.061 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.070 1.568 -12.618 1.00 0.00 O ATOM 130 OE2 GLU A 11 -2.698 0.154 -12.059 1.00 0.00 O ATOM 0 H GLU A 11 -4.672 1.349 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.451 2.837 -7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.724 3.775 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.280 2.094 -9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.887 2.092 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.945 3.280 -11.953 1.00 0.00 H new ATOM 137 N GLY A 12 -3.924 4.798 -8.061 1.00 0.00 N ATOM 138 CA GLY A 12 -4.863 5.906 -8.007 1.00 0.00 C ATOM 139 C GLY A 12 -4.301 7.061 -7.175 1.00 0.00 C ATOM 140 O GLY A 12 -3.334 6.885 -6.435 1.00 0.00 O ATOM 0 H GLY A 12 -3.120 4.890 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.080 6.253 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.806 5.568 -7.576 1.00 0.00 H new ATOM 144 N ILE A 13 -4.932 8.216 -7.323 1.00 0.00 N ATOM 145 CA ILE A 13 -4.508 9.399 -6.594 1.00 0.00 C ATOM 146 C ILE A 13 -4.766 9.193 -5.100 1.00 0.00 C ATOM 147 O ILE A 13 -5.770 8.593 -4.717 1.00 0.00 O ATOM 148 CB ILE A 13 -5.178 10.650 -7.166 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.559 11.036 -8.512 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.133 11.804 -6.163 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.355 11.959 -8.317 1.00 0.00 C ATOM 0 H ILE A 13 -5.734 8.358 -7.937 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.436 9.556 -6.714 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.228 10.422 -7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.250 10.137 -9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.306 11.533 -9.131 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.616 12.681 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.655 11.514 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.096 12.041 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.934 12.218 -9.288 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.672 12.868 -7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.600 11.450 -7.718 1.00 0.00 H new ATOM 163 N LEU A 14 -3.843 9.700 -4.297 1.00 0.00 N ATOM 164 CA LEU A 14 -3.958 9.579 -2.853 1.00 0.00 C ATOM 165 C LEU A 14 -3.256 10.764 -2.188 1.00 0.00 C ATOM 166 O LEU A 14 -2.052 10.952 -2.358 1.00 0.00 O ATOM 167 CB LEU A 14 -3.440 8.217 -2.387 1.00 0.00 C ATOM 168 CG LEU A 14 -4.496 7.125 -2.203 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.846 5.794 -1.819 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.560 7.556 -1.192 1.00 0.00 C ATOM 0 H LEU A 14 -3.012 10.196 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.004 9.617 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.703 7.864 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.918 8.354 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.001 6.974 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.618 5.035 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.157 5.485 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.299 5.913 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.298 6.762 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.089 7.752 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.052 8.462 -1.546 1.00 0.00 H new ATOM 182 N TYR A 15 -4.038 11.533 -1.445 1.00 0.00 N ATOM 183 CA TYR A 15 -3.506 12.695 -0.754 1.00 0.00 C ATOM 184 C TYR A 15 -2.880 12.298 0.584 1.00 0.00 C ATOM 185 O TYR A 15 -3.343 11.365 1.238 1.00 0.00 O ATOM 186 CB TYR A 15 -4.702 13.613 -0.491 1.00 0.00 C ATOM 187 CG TYR A 15 -5.242 14.306 -1.744 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.773 13.555 -2.773 1.00 0.00 C ATOM 189 CD2 TYR A 15 -5.197 15.682 -1.845 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.281 14.207 -3.952 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.705 16.334 -3.024 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.222 15.564 -4.019 1.00 0.00 C ATOM 193 OH TYR A 15 -6.702 16.180 -5.133 1.00 0.00 O ATOM 0 H TYR A 15 -5.036 11.374 -1.306 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.732 13.176 -1.352 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.503 13.029 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.411 14.372 0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.807 12.478 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.781 16.269 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.699 13.632 -4.765 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.676 17.410 -3.116 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.596 17.150 -5.042 1.00 0.00 H new ATOM 203 N LYS A 16 -1.836 13.027 0.952 1.00 0.00 N ATOM 204 CA LYS A 16 -1.141 12.762 2.200 1.00 0.00 C ATOM 205 C LYS A 16 -1.160 14.023 3.067 1.00 0.00 C ATOM 206 O LYS A 16 -0.810 15.106 2.600 1.00 0.00 O ATOM 207 CB LYS A 16 0.265 12.225 1.928 1.00 0.00 C ATOM 208 CG LYS A 16 1.092 12.175 3.214 1.00 0.00 C ATOM 209 CD LYS A 16 2.180 11.102 3.125 1.00 0.00 C ATOM 210 CE LYS A 16 3.377 11.461 4.007 1.00 0.00 C ATOM 211 NZ LYS A 16 4.641 11.041 3.361 1.00 0.00 N ATOM 0 H LYS A 16 -1.455 13.801 0.408 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.652 11.980 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.199 11.227 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.764 12.858 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.549 13.148 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.440 11.967 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.772 10.139 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.505 10.994 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.394 12.536 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.279 10.976 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.444 11.292 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.629 10.012 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.740 11.524 2.445 1.00 0.00 H new ATOM 225 N LYS A 17 -1.572 13.840 4.313 1.00 0.00 N ATOM 226 CA LYS A 17 -1.641 14.950 5.248 1.00 0.00 C ATOM 227 C LYS A 17 -0.295 15.676 5.272 1.00 0.00 C ATOM 228 O LYS A 17 0.754 15.043 5.384 1.00 0.00 O ATOM 229 CB LYS A 17 -2.102 14.463 6.624 1.00 0.00 C ATOM 230 CG LYS A 17 -2.517 15.639 7.511 1.00 0.00 C ATOM 231 CD LYS A 17 -3.382 15.164 8.680 1.00 0.00 C ATOM 232 CE LYS A 17 -3.934 16.352 9.471 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.798 16.115 10.925 1.00 0.00 N ATOM 0 H LYS A 17 -1.861 12.940 4.697 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.388 15.675 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.941 13.776 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.298 13.906 7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.629 16.143 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.068 16.369 6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.206 14.558 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.792 14.527 9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.400 17.261 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.983 16.509 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.748 17.027 11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.621 15.579 11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.930 15.572 11.109 1.00 0.00 H new ATOM 247 N GLY A 18 -0.367 16.995 5.166 1.00 0.00 N ATOM 248 CA GLY A 18 0.833 17.813 5.174 1.00 0.00 C ATOM 249 C GLY A 18 0.817 18.798 6.345 1.00 0.00 C ATOM 250 O GLY A 18 0.787 20.011 6.141 1.00 0.00 O ATOM 0 H GLY A 18 -1.238 17.517 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.713 17.174 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.911 18.360 4.235 1.00 0.00 H new ATOM 254 N ALA A 19 0.838 18.240 7.546 1.00 0.00 N ATOM 255 CA ALA A 19 0.827 19.053 8.750 1.00 0.00 C ATOM 256 C ALA A 19 -0.431 19.925 8.759 1.00 0.00 C ATOM 257 O ALA A 19 -1.279 19.805 7.877 1.00 0.00 O ATOM 258 CB ALA A 19 2.111 19.882 8.819 1.00 0.00 C ATOM 0 H ALA A 19 0.863 17.234 7.711 1.00 0.00 H new ATOM 0 HA ALA A 19 0.798 18.422 9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.102 20.492 9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.974 19.216 8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.173 20.530 7.945 1.00 0.00 H new ATOM 264 N PHE A 20 -0.510 20.782 9.766 1.00 0.00 N ATOM 265 CA PHE A 20 -1.650 21.674 9.902 1.00 0.00 C ATOM 266 C PHE A 20 -1.399 22.998 9.178 1.00 0.00 C ATOM 267 O PHE A 20 -0.319 23.216 8.632 1.00 0.00 O ATOM 268 CB PHE A 20 -1.827 21.949 11.396 1.00 0.00 C ATOM 269 CG PHE A 20 -2.823 21.016 12.087 1.00 0.00 C ATOM 270 CD1 PHE A 20 -2.481 19.724 12.342 1.00 0.00 C ATOM 271 CD2 PHE A 20 -4.051 21.478 12.447 1.00 0.00 C ATOM 272 CE1 PHE A 20 -3.406 18.858 12.983 1.00 0.00 C ATOM 273 CE2 PHE A 20 -4.976 20.612 13.088 1.00 0.00 C ATOM 274 CZ PHE A 20 -4.634 19.320 13.343 1.00 0.00 C ATOM 0 H PHE A 20 0.196 20.878 10.496 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.537 21.214 9.465 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.859 21.859 11.889 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.158 22.979 11.529 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.506 19.357 12.057 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.322 22.504 12.245 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.135 17.832 13.185 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.951 20.979 13.373 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.337 18.661 13.831 1.00 0.00 H new ATOM 284 N MET A 21 -2.416 23.847 9.196 1.00 0.00 N ATOM 285 CA MET A 21 -2.320 25.144 8.548 1.00 0.00 C ATOM 286 C MET A 21 -2.465 25.011 7.031 1.00 0.00 C ATOM 287 O MET A 21 -3.463 25.446 6.459 1.00 0.00 O ATOM 288 CB MET A 21 -0.968 25.781 8.878 1.00 0.00 C ATOM 289 CG MET A 21 -1.138 27.244 9.294 1.00 0.00 C ATOM 290 SD MET A 21 0.210 28.221 8.650 1.00 0.00 S ATOM 291 CE MET A 21 1.561 27.558 9.610 1.00 0.00 C ATOM 0 H MET A 21 -3.311 23.662 9.649 1.00 0.00 H new ATOM 0 HA MET A 21 -3.129 25.775 8.918 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.486 25.224 9.682 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.312 25.720 8.010 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.087 27.629 8.922 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.167 27.321 10.381 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.457 28.154 9.437 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.304 27.588 10.669 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.748 26.527 9.311 1.00 0.00 H new ATOM 301 N LYS A 22 -1.454 24.408 6.423 1.00 0.00 N ATOM 302 CA LYS A 22 -1.457 24.212 4.983 1.00 0.00 C ATOM 303 C LYS A 22 -2.333 23.006 4.638 1.00 0.00 C ATOM 304 O LYS A 22 -2.584 22.153 5.488 1.00 0.00 O ATOM 305 CB LYS A 22 -0.025 24.103 4.454 1.00 0.00 C ATOM 306 CG LYS A 22 0.579 22.737 4.784 1.00 0.00 C ATOM 307 CD LYS A 22 1.966 22.584 4.156 1.00 0.00 C ATOM 308 CE LYS A 22 3.019 23.345 4.964 1.00 0.00 C ATOM 309 NZ LYS A 22 4.237 23.563 4.151 1.00 0.00 N ATOM 0 H LYS A 22 -0.628 24.049 6.901 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.893 25.077 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.020 24.256 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.589 24.891 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.650 22.619 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.078 21.947 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.233 21.528 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.949 22.956 3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.614 24.304 5.288 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.271 22.784 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.942 24.081 4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.631 22.645 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.995 24.117 3.305 1.00 0.00 H new ATOM 323 N PRO A 23 -2.785 22.972 3.356 1.00 0.00 N ATOM 324 CA PRO A 23 -3.628 21.885 2.889 1.00 0.00 C ATOM 325 C PRO A 23 -2.808 20.612 2.669 1.00 0.00 C ATOM 326 O PRO A 23 -1.588 20.620 2.824 1.00 0.00 O ATOM 327 CB PRO A 23 -4.270 22.405 1.613 1.00 0.00 C ATOM 328 CG PRO A 23 -3.413 23.578 1.164 1.00 0.00 C ATOM 329 CD PRO A 23 -2.508 23.965 2.322 1.00 0.00 C ATOM 0 HA PRO A 23 -4.390 21.601 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.302 21.629 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.298 22.719 1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.820 23.305 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.041 24.420 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.459 23.948 2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.724 24.974 2.674 1.00 0.00 H new ATOM 337 N TRP A 24 -3.512 19.547 2.313 1.00 0.00 N ATOM 338 CA TRP A 24 -2.865 18.269 2.070 1.00 0.00 C ATOM 339 C TRP A 24 -2.331 18.273 0.637 1.00 0.00 C ATOM 340 O TRP A 24 -2.834 19.005 -0.214 1.00 0.00 O ATOM 341 CB TRP A 24 -3.823 17.108 2.348 1.00 0.00 C ATOM 342 CG TRP A 24 -4.301 17.029 3.799 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.290 17.998 4.726 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.864 15.875 4.457 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.803 17.554 5.927 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.163 16.222 5.759 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.112 14.580 3.969 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.726 15.330 6.680 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.675 13.701 4.901 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.982 14.035 6.215 1.00 0.00 C ATOM 0 H TRP A 24 -4.524 19.543 2.187 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.027 18.125 2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.691 17.202 1.695 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.328 16.172 2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.925 19.000 4.554 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.900 18.102 6.781 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.886 14.287 2.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.951 15.625 7.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.886 12.693 4.577 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.416 13.298 6.874 1.00 0.00 H new ATOM 361 N LYS A 25 -1.319 17.448 0.414 1.00 0.00 N ATOM 362 CA LYS A 25 -0.711 17.348 -0.902 1.00 0.00 C ATOM 363 C LYS A 25 -1.205 16.074 -1.592 1.00 0.00 C ATOM 364 O LYS A 25 -1.283 15.017 -0.968 1.00 0.00 O ATOM 365 CB LYS A 25 0.813 17.438 -0.797 1.00 0.00 C ATOM 366 CG LYS A 25 1.340 18.674 -1.528 1.00 0.00 C ATOM 367 CD LYS A 25 2.870 18.682 -1.558 1.00 0.00 C ATOM 368 CE LYS A 25 3.389 19.089 -2.939 1.00 0.00 C ATOM 369 NZ LYS A 25 4.226 20.306 -2.839 1.00 0.00 N ATOM 0 H LYS A 25 -0.905 16.842 1.122 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.015 18.188 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.107 17.478 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.264 16.541 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.953 18.691 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.978 19.575 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.248 19.373 -0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.248 17.692 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.971 18.274 -3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.550 19.271 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.570 20.569 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.660 21.086 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.037 20.119 -2.215 1.00 0.00 H new ATOM 383 N ALA A 26 -1.526 16.218 -2.869 1.00 0.00 N ATOM 384 CA ALA A 26 -2.011 15.092 -3.650 1.00 0.00 C ATOM 385 C ALA A 26 -0.850 14.491 -4.444 1.00 0.00 C ATOM 386 O ALA A 26 -0.156 15.200 -5.171 1.00 0.00 O ATOM 387 CB ALA A 26 -3.157 15.553 -4.552 1.00 0.00 C ATOM 0 H ALA A 26 -1.460 17.097 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.403 14.312 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.521 14.709 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.968 15.945 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.800 16.334 -5.224 1.00 0.00 H new ATOM 393 N ARG A 27 -0.674 13.188 -4.278 1.00 0.00 N ATOM 394 CA ARG A 27 0.391 12.482 -4.970 1.00 0.00 C ATOM 395 C ARG A 27 -0.147 11.199 -5.605 1.00 0.00 C ATOM 396 O ARG A 27 -1.284 10.805 -5.348 1.00 0.00 O ATOM 397 CB ARG A 27 1.532 12.130 -4.013 1.00 0.00 C ATOM 398 CG ARG A 27 2.837 12.804 -4.442 1.00 0.00 C ATOM 399 CD ARG A 27 4.045 12.109 -3.812 1.00 0.00 C ATOM 400 NE ARG A 27 4.954 13.115 -3.218 1.00 0.00 N ATOM 401 CZ ARG A 27 6.257 12.906 -2.985 1.00 0.00 C ATOM 402 NH1 ARG A 27 6.812 11.726 -3.294 1.00 0.00 N ATOM 403 NH2 ARG A 27 7.005 13.877 -2.443 1.00 0.00 N ATOM 0 H ARG A 27 -1.251 12.603 -3.674 1.00 0.00 H new ATOM 0 HA ARG A 27 0.775 13.142 -5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.272 12.443 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.669 11.049 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.924 12.778 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.822 13.853 -4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.713 11.409 -3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.575 11.528 -4.567 1.00 0.00 H new ATOM 0 HE ARG A 27 4.564 14.024 -2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.243 10.987 -3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.804 11.567 -3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.582 14.775 -2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.997 13.718 -2.266 1.00 0.00 H new ATOM 417 N TRP A 28 0.695 10.582 -6.422 1.00 0.00 N ATOM 418 CA TRP A 28 0.317 9.351 -7.095 1.00 0.00 C ATOM 419 C TRP A 28 0.868 8.179 -6.281 1.00 0.00 C ATOM 420 O TRP A 28 2.082 8.017 -6.162 1.00 0.00 O ATOM 421 CB TRP A 28 0.800 9.350 -8.547 1.00 0.00 C ATOM 422 CG TRP A 28 0.370 8.118 -9.345 1.00 0.00 C ATOM 423 CD1 TRP A 28 1.125 7.083 -9.736 1.00 0.00 C ATOM 424 CD2 TRP A 28 -0.957 7.834 -9.838 1.00 0.00 C ATOM 425 NE1 TRP A 28 0.386 6.155 -10.441 1.00 0.00 N ATOM 426 CE2 TRP A 28 -0.920 6.626 -10.506 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.148 8.572 -9.724 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.044 6.051 -11.110 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.262 7.983 -10.334 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.242 6.769 -11.009 1.00 0.00 C ATOM 0 H TRP A 28 1.637 10.912 -6.633 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.768 9.258 -7.149 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.422 10.243 -9.045 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.888 9.415 -8.557 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.180 6.987 -9.526 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.734 5.284 -10.841 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.200 9.519 -9.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.990 5.104 -11.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.203 8.510 -10.276 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.146 6.381 -11.454 1.00 0.00 H new ATOM 441 N PHE A 29 -0.050 7.391 -5.741 1.00 0.00 N ATOM 442 CA PHE A 29 0.328 6.239 -4.942 1.00 0.00 C ATOM 443 C PHE A 29 0.157 4.941 -5.735 1.00 0.00 C ATOM 444 O PHE A 29 -0.414 4.946 -6.824 1.00 0.00 O ATOM 445 CB PHE A 29 -0.605 6.209 -3.730 1.00 0.00 C ATOM 446 CG PHE A 29 -0.184 7.145 -2.596 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.455 8.312 -2.880 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.447 6.811 -1.304 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.846 9.181 -1.827 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.056 7.680 -0.252 1.00 0.00 C ATOM 451 CZ PHE A 29 0.582 8.847 -0.535 1.00 0.00 C ATOM 0 H PHE A 29 -1.056 7.528 -5.842 1.00 0.00 H new ATOM 0 HA PHE A 29 1.375 6.318 -4.648 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.611 6.476 -4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.653 5.190 -3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.665 8.577 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.954 5.884 -1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.353 10.108 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.265 7.414 0.774 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.879 9.508 0.266 1.00 0.00 H new ATOM 461 N VAL A 30 0.663 3.861 -5.157 1.00 0.00 N ATOM 462 CA VAL A 30 0.574 2.560 -5.796 1.00 0.00 C ATOM 463 C VAL A 30 0.266 1.497 -4.739 1.00 0.00 C ATOM 464 O VAL A 30 0.838 1.516 -3.650 1.00 0.00 O ATOM 465 CB VAL A 30 1.857 2.271 -6.578 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.055 0.766 -6.769 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.855 3.000 -7.923 1.00 0.00 C ATOM 0 H VAL A 30 1.136 3.861 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.241 2.546 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 30 2.697 2.648 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.974 0.588 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.123 0.281 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.210 0.355 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.778 2.778 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.002 2.668 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.783 4.074 -7.754 1.00 0.00 H new ATOM 477 N LEU A 31 -0.637 0.596 -5.097 1.00 0.00 N ATOM 478 CA LEU A 31 -1.028 -0.472 -4.193 1.00 0.00 C ATOM 479 C LEU A 31 -0.606 -1.817 -4.787 1.00 0.00 C ATOM 480 O LEU A 31 -1.404 -2.489 -5.439 1.00 0.00 O ATOM 481 CB LEU A 31 -2.521 -0.382 -3.872 1.00 0.00 C ATOM 482 CG LEU A 31 -2.913 -0.663 -2.419 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.202 -2.151 -2.207 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.846 -0.144 -1.454 1.00 0.00 C ATOM 0 H LEU A 31 -1.109 0.584 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.514 -0.370 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.869 0.617 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.053 -1.084 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.834 -0.122 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.478 -2.323 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.022 -2.458 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.312 -2.732 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.149 -0.356 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.897 -0.638 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.731 0.932 -1.583 1.00 0.00 H new ATOM 496 N ASP A 32 0.647 -2.170 -4.541 1.00 0.00 N ATOM 497 CA ASP A 32 1.184 -3.423 -5.044 1.00 0.00 C ATOM 498 C ASP A 32 0.616 -4.582 -4.223 1.00 0.00 C ATOM 499 O ASP A 32 0.481 -4.477 -3.005 1.00 0.00 O ATOM 500 CB ASP A 32 2.709 -3.458 -4.920 1.00 0.00 C ATOM 501 CG ASP A 32 3.394 -4.588 -5.690 1.00 0.00 C ATOM 502 OD1 ASP A 32 2.821 -5.699 -5.699 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.477 -4.316 -6.253 1.00 0.00 O ATOM 0 H ASP A 32 1.306 -1.610 -4.000 1.00 0.00 H new ATOM 0 HA ASP A 32 0.906 -3.512 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.109 -2.506 -5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.971 -3.546 -3.866 1.00 0.00 H new ATOM 508 N LYS A 33 0.299 -5.662 -4.923 1.00 0.00 N ATOM 509 CA LYS A 33 -0.251 -6.839 -4.274 1.00 0.00 C ATOM 510 C LYS A 33 0.797 -7.954 -4.275 1.00 0.00 C ATOM 511 O LYS A 33 0.779 -8.829 -3.411 1.00 0.00 O ATOM 512 CB LYS A 33 -1.576 -7.241 -4.927 1.00 0.00 C ATOM 513 CG LYS A 33 -1.482 -7.163 -6.452 1.00 0.00 C ATOM 514 CD LYS A 33 -2.671 -7.864 -7.111 1.00 0.00 C ATOM 515 CE LYS A 33 -2.385 -9.353 -7.315 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.554 -10.027 -7.924 1.00 0.00 N ATOM 0 H LYS A 33 0.413 -5.746 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.487 -6.623 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.840 -8.255 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.373 -6.586 -4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.451 -6.119 -6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.553 -7.624 -6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.559 -7.742 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.887 -7.396 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.512 -9.477 -7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.147 -9.818 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.343 -11.037 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.379 -9.924 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.763 -9.594 -8.846 1.00 0.00 H new ATOM 530 N THR A 34 1.687 -7.885 -5.255 1.00 0.00 N ATOM 531 CA THR A 34 2.741 -8.877 -5.379 1.00 0.00 C ATOM 532 C THR A 34 3.847 -8.611 -4.356 1.00 0.00 C ATOM 533 O THR A 34 4.478 -9.544 -3.862 1.00 0.00 O ATOM 534 CB THR A 34 3.236 -8.861 -6.827 1.00 0.00 C ATOM 535 OG1 THR A 34 3.839 -7.579 -6.974 1.00 0.00 O ATOM 536 CG2 THR A 34 2.088 -8.852 -7.838 1.00 0.00 C ATOM 0 H THR A 34 1.699 -7.158 -5.970 1.00 0.00 H new ATOM 0 HA THR A 34 2.371 -9.878 -5.157 1.00 0.00 H new ATOM 0 HB THR A 34 3.868 -9.731 -7.004 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.147 -6.886 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.494 -8.841 -8.849 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.477 -9.744 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.474 -7.965 -7.684 1.00 0.00 H new ATOM 544 N LYS A 35 4.049 -7.333 -4.069 1.00 0.00 N ATOM 545 CA LYS A 35 5.068 -6.932 -3.114 1.00 0.00 C ATOM 546 C LYS A 35 4.399 -6.552 -1.791 1.00 0.00 C ATOM 547 O LYS A 35 4.995 -6.701 -0.725 1.00 0.00 O ATOM 548 CB LYS A 35 5.945 -5.825 -3.699 1.00 0.00 C ATOM 549 CG LYS A 35 6.812 -6.358 -4.842 1.00 0.00 C ATOM 550 CD LYS A 35 8.246 -6.609 -4.371 1.00 0.00 C ATOM 551 CE LYS A 35 8.646 -8.070 -4.584 1.00 0.00 C ATOM 552 NZ LYS A 35 9.603 -8.187 -5.706 1.00 0.00 N ATOM 0 H LYS A 35 3.524 -6.562 -4.481 1.00 0.00 H new ATOM 0 HA LYS A 35 5.742 -7.763 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.316 -5.012 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.582 -5.410 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.384 -7.284 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.815 -5.643 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.930 -5.958 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.335 -6.354 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.094 -8.467 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.759 -8.670 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.864 -9.185 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.163 -7.827 -6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.456 -7.631 -5.494 1.00 0.00 H new ATOM 566 N HIS A 36 3.171 -6.069 -1.903 1.00 0.00 N ATOM 567 CA HIS A 36 2.415 -5.667 -0.728 1.00 0.00 C ATOM 568 C HIS A 36 3.080 -4.449 -0.083 1.00 0.00 C ATOM 569 O HIS A 36 3.413 -4.474 1.101 1.00 0.00 O ATOM 570 CB HIS A 36 2.254 -6.839 0.242 1.00 0.00 C ATOM 571 CG HIS A 36 0.851 -7.392 0.309 1.00 0.00 C ATOM 572 ND1 HIS A 36 0.139 -7.769 -0.816 1.00 0.00 N ATOM 573 CD2 HIS A 36 0.036 -7.629 1.377 1.00 0.00 C ATOM 574 CE1 HIS A 36 -1.049 -8.211 -0.431 1.00 0.00 C ATOM 575 NE2 HIS A 36 -1.111 -8.123 0.929 1.00 0.00 N ATOM 0 H HIS A 36 2.680 -5.947 -2.789 1.00 0.00 H new ATOM 0 HA HIS A 36 1.407 -5.374 -1.022 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.935 -7.638 -0.053 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.554 -6.516 1.239 1.00 0.00 H new ATOM 0 HD1 HIS A 36 0.472 -7.716 -1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.283 -7.446 2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.831 -8.577 -1.080 1.00 0.00 H new ATOM 583 N GLN A 37 3.252 -3.412 -0.889 1.00 0.00 N ATOM 584 CA GLN A 37 3.871 -2.187 -0.412 1.00 0.00 C ATOM 585 C GLN A 37 3.175 -0.969 -1.021 1.00 0.00 C ATOM 586 O GLN A 37 2.480 -1.086 -2.029 1.00 0.00 O ATOM 587 CB GLN A 37 5.369 -2.174 -0.720 1.00 0.00 C ATOM 588 CG GLN A 37 6.085 -3.327 -0.013 1.00 0.00 C ATOM 589 CD GLN A 37 7.572 -3.019 0.171 1.00 0.00 C ATOM 590 OE1 GLN A 37 8.061 -2.824 1.271 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.262 -2.986 -0.966 1.00 0.00 N ATOM 0 H GLN A 37 2.973 -3.395 -1.870 1.00 0.00 H new ATOM 0 HA GLN A 37 3.756 -2.142 0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.523 -2.251 -1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.801 -1.225 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.624 -3.505 0.959 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.969 -4.242 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.790 -3.158 -1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.263 -2.788 -0.950 1.00 0.00 H new ATOM 600 N LEU A 38 3.386 0.174 -0.383 1.00 0.00 N ATOM 601 CA LEU A 38 2.787 1.413 -0.850 1.00 0.00 C ATOM 602 C LEU A 38 3.871 2.292 -1.478 1.00 0.00 C ATOM 603 O LEU A 38 4.747 2.798 -0.779 1.00 0.00 O ATOM 604 CB LEU A 38 2.020 2.097 0.283 1.00 0.00 C ATOM 605 CG LEU A 38 0.688 2.743 -0.103 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.408 2.382 0.902 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.840 4.256 -0.267 1.00 0.00 C ATOM 0 H LEU A 38 3.963 0.268 0.453 1.00 0.00 H new ATOM 0 HA LEU A 38 2.049 1.212 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.831 1.360 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.661 2.864 0.717 1.00 0.00 H new ATOM 0 HG LEU A 38 0.382 2.344 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.344 2.854 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.538 1.300 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.123 2.735 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.121 4.691 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.180 4.691 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.570 4.466 -1.049 1.00 0.00 H new ATOM 619 N ARG A 39 3.774 2.448 -2.790 1.00 0.00 N ATOM 620 CA ARG A 39 4.735 3.258 -3.520 1.00 0.00 C ATOM 621 C ARG A 39 4.061 4.520 -4.063 1.00 0.00 C ATOM 622 O ARG A 39 3.063 4.437 -4.777 1.00 0.00 O ATOM 623 CB ARG A 39 5.345 2.473 -4.683 1.00 0.00 C ATOM 624 CG ARG A 39 5.810 1.089 -4.227 1.00 0.00 C ATOM 625 CD ARG A 39 6.985 0.598 -5.075 1.00 0.00 C ATOM 626 NE ARG A 39 6.649 -0.699 -5.703 1.00 0.00 N ATOM 627 CZ ARG A 39 7.543 -1.501 -6.297 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.834 -1.144 -6.347 1.00 0.00 N ATOM 629 NH2 ARG A 39 7.147 -2.660 -6.841 1.00 0.00 N ATOM 0 H ARG A 39 3.045 2.028 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 39 5.530 3.536 -2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.610 2.369 -5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.188 3.026 -5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.105 1.128 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.984 0.382 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.221 1.333 -5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.873 0.491 -4.453 1.00 0.00 H new ATOM 0 HE ARG A 39 5.675 -1.002 -5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.136 -0.262 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.515 -1.754 -6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.165 -2.932 -6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.828 -3.270 -7.293 1.00 0.00 H new ATOM 643 N TYR A 40 4.634 5.659 -3.704 1.00 0.00 N ATOM 644 CA TYR A 40 4.102 6.937 -4.146 1.00 0.00 C ATOM 645 C TYR A 40 5.193 7.790 -4.795 1.00 0.00 C ATOM 646 O TYR A 40 6.275 7.953 -4.234 1.00 0.00 O ATOM 647 CB TYR A 40 3.601 7.644 -2.885 1.00 0.00 C ATOM 648 CG TYR A 40 4.695 7.921 -1.851 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.098 6.922 -0.989 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.277 9.170 -1.781 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.127 7.183 -0.016 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.306 9.432 -0.808 1.00 0.00 C ATOM 653 CZ TYR A 40 6.681 8.425 0.026 1.00 0.00 C ATOM 654 OH TYR A 40 7.652 8.672 0.945 1.00 0.00 O ATOM 0 H TYR A 40 5.462 5.724 -3.112 1.00 0.00 H new ATOM 0 HA TYR A 40 3.314 6.790 -4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.137 8.588 -3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.825 7.034 -2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.642 5.945 -1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.961 9.951 -2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.452 6.410 0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.769 10.405 -0.742 1.00 0.00 H new ATOM 0 HH TYR A 40 7.956 9.600 0.858 1.00 0.00 H new ATOM 664 N TYR A 41 4.870 8.312 -5.970 1.00 0.00 N ATOM 665 CA TYR A 41 5.810 9.145 -6.702 1.00 0.00 C ATOM 666 C TYR A 41 5.395 10.617 -6.648 1.00 0.00 C ATOM 667 O TYR A 41 4.213 10.937 -6.760 1.00 0.00 O ATOM 668 CB TYR A 41 5.756 8.665 -8.154 1.00 0.00 C ATOM 669 CG TYR A 41 6.091 7.183 -8.332 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.224 6.218 -7.862 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.261 6.812 -8.964 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.540 4.823 -8.030 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.576 5.417 -9.132 1.00 0.00 C ATOM 674 CZ TYR A 41 6.701 4.491 -8.656 1.00 0.00 C ATOM 675 OH TYR A 41 6.999 3.174 -8.815 1.00 0.00 O ATOM 0 H TYR A 41 3.971 8.174 -6.433 1.00 0.00 H new ATOM 0 HA TYR A 41 6.809 9.066 -6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.758 8.852 -8.551 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.451 9.258 -8.748 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.309 6.509 -7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.939 7.567 -9.332 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.870 4.058 -7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.487 5.113 -9.625 1.00 0.00 H new ATOM 0 HH TYR A 41 7.858 3.087 -9.279 1.00 0.00 H new ATOM 685 N ASP A 42 6.392 11.473 -6.475 1.00 0.00 N ATOM 686 CA ASP A 42 6.145 12.903 -6.405 1.00 0.00 C ATOM 687 C ASP A 42 5.167 13.303 -7.511 1.00 0.00 C ATOM 688 O ASP A 42 4.355 14.209 -7.328 1.00 0.00 O ATOM 689 CB ASP A 42 7.438 13.695 -6.609 1.00 0.00 C ATOM 690 CG ASP A 42 8.672 13.109 -5.919 1.00 0.00 C ATOM 691 OD1 ASP A 42 8.506 12.066 -5.250 1.00 0.00 O ATOM 692 OD2 ASP A 42 9.752 13.717 -6.076 1.00 0.00 O ATOM 0 H ASP A 42 7.371 11.204 -6.381 1.00 0.00 H new ATOM 0 HA ASP A 42 5.736 13.126 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.638 13.766 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.285 14.711 -6.245 1.00 0.00 H new ATOM 697 N HIS A 43 5.276 12.608 -8.633 1.00 0.00 N ATOM 698 CA HIS A 43 4.410 12.879 -9.769 1.00 0.00 C ATOM 699 C HIS A 43 3.892 11.560 -10.346 1.00 0.00 C ATOM 700 O HIS A 43 4.386 10.489 -9.996 1.00 0.00 O ATOM 701 CB HIS A 43 5.132 13.738 -10.809 1.00 0.00 C ATOM 702 CG HIS A 43 5.286 15.186 -10.409 1.00 0.00 C ATOM 703 ND1 HIS A 43 6.325 15.982 -10.859 1.00 0.00 N ATOM 704 CD2 HIS A 43 4.523 15.973 -9.598 1.00 0.00 C ATOM 705 CE1 HIS A 43 6.184 17.190 -10.336 1.00 0.00 C ATOM 706 NE2 HIS A 43 5.066 17.183 -9.554 1.00 0.00 N ATOM 0 H HIS A 43 5.951 11.857 -8.781 1.00 0.00 H new ATOM 0 HA HIS A 43 3.545 13.457 -9.442 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.120 13.315 -10.992 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.584 13.688 -11.750 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.628 15.664 -9.079 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.839 18.033 -10.500 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.707 17.977 -9.023 1.00 0.00 H new ATOM 714 N ARG A 44 2.905 11.681 -11.220 1.00 0.00 N ATOM 715 CA ARG A 44 2.314 10.512 -11.849 1.00 0.00 C ATOM 716 C ARG A 44 3.410 9.578 -12.367 1.00 0.00 C ATOM 717 O ARG A 44 3.438 8.397 -12.023 1.00 0.00 O ATOM 718 CB ARG A 44 1.404 10.912 -13.011 1.00 0.00 C ATOM 719 CG ARG A 44 0.650 9.699 -13.561 1.00 0.00 C ATOM 720 CD ARG A 44 -0.844 9.791 -13.243 1.00 0.00 C ATOM 721 NE ARG A 44 -1.629 9.798 -14.497 1.00 0.00 N ATOM 722 CZ ARG A 44 -2.962 9.924 -14.549 1.00 0.00 C ATOM 723 NH1 ARG A 44 -3.667 10.054 -13.417 1.00 0.00 N ATOM 724 NH2 ARG A 44 -3.590 9.921 -15.732 1.00 0.00 N ATOM 0 H ARG A 44 2.499 12.571 -11.508 1.00 0.00 H new ATOM 0 HA ARG A 44 1.717 9.997 -11.096 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.692 11.666 -12.677 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.999 11.365 -13.804 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.793 9.636 -14.640 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.061 8.785 -13.132 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.144 8.948 -12.621 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.048 10.697 -12.672 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.124 9.701 -15.378 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.189 10.057 -12.516 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.682 10.150 -13.456 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.054 9.823 -16.594 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.605 10.017 -15.771 1.00 0.00 H new ATOM 738 N MET A 45 4.285 10.141 -13.187 1.00 0.00 N ATOM 739 CA MET A 45 5.380 9.374 -13.756 1.00 0.00 C ATOM 740 C MET A 45 6.730 9.999 -13.401 1.00 0.00 C ATOM 741 O MET A 45 7.083 11.058 -13.919 1.00 0.00 O ATOM 742 CB MET A 45 5.227 9.316 -15.277 1.00 0.00 C ATOM 743 CG MET A 45 5.294 7.873 -15.781 1.00 0.00 C ATOM 744 SD MET A 45 6.798 7.620 -16.708 1.00 0.00 S ATOM 745 CE MET A 45 7.824 6.892 -15.441 1.00 0.00 C ATOM 0 H MET A 45 4.258 11.120 -13.471 1.00 0.00 H new ATOM 0 HA MET A 45 5.347 8.367 -13.341 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.276 9.762 -15.568 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.013 9.906 -15.748 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.256 7.183 -14.938 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.429 7.658 -16.409 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.808 6.670 -15.853 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.928 7.591 -14.611 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.363 5.971 -15.085 1.00 0.00 H new ATOM 755 N ASP A 46 7.449 9.318 -12.521 1.00 0.00 N ATOM 756 CA ASP A 46 8.753 9.794 -12.092 1.00 0.00 C ATOM 757 C ASP A 46 9.789 8.686 -12.297 1.00 0.00 C ATOM 758 O ASP A 46 9.434 7.515 -12.418 1.00 0.00 O ATOM 759 CB ASP A 46 8.744 10.162 -10.607 1.00 0.00 C ATOM 760 CG ASP A 46 7.504 10.927 -10.138 1.00 0.00 C ATOM 761 OD1 ASP A 46 6.553 11.014 -10.944 1.00 0.00 O ATOM 762 OD2 ASP A 46 7.536 11.407 -8.985 1.00 0.00 O ATOM 0 H ASP A 46 7.153 8.440 -12.093 1.00 0.00 H new ATOM 0 HA ASP A 46 9.000 10.677 -12.682 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.831 9.247 -10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.627 10.764 -10.392 1.00 0.00 H new ATOM 767 N THR A 47 11.048 9.096 -12.331 1.00 0.00 N ATOM 768 CA THR A 47 12.137 8.153 -12.520 1.00 0.00 C ATOM 769 C THR A 47 11.874 6.869 -11.731 1.00 0.00 C ATOM 770 O THR A 47 11.751 5.793 -12.313 1.00 0.00 O ATOM 771 CB THR A 47 13.441 8.852 -12.128 1.00 0.00 C ATOM 772 OG1 THR A 47 14.355 7.781 -11.907 1.00 0.00 O ATOM 773 CG2 THR A 47 13.346 9.548 -10.769 1.00 0.00 C ATOM 0 H THR A 47 11.338 10.069 -12.231 1.00 0.00 H new ATOM 0 HA THR A 47 12.217 7.845 -13.563 1.00 0.00 H new ATOM 0 HB THR A 47 13.706 9.583 -12.892 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.228 8.144 -11.650 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.297 10.028 -10.539 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.558 10.300 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.115 8.812 -9.999 1.00 0.00 H new ATOM 781 N GLU A 48 11.797 7.026 -10.417 1.00 0.00 N ATOM 782 CA GLU A 48 11.551 5.892 -9.542 1.00 0.00 C ATOM 783 C GLU A 48 10.623 6.299 -8.395 1.00 0.00 C ATOM 784 O GLU A 48 10.334 7.481 -8.216 1.00 0.00 O ATOM 785 CB GLU A 48 12.864 5.318 -9.007 1.00 0.00 C ATOM 786 CG GLU A 48 13.273 4.066 -9.787 1.00 0.00 C ATOM 787 CD GLU A 48 13.576 2.904 -8.839 1.00 0.00 C ATOM 788 OE1 GLU A 48 14.453 3.096 -7.969 1.00 0.00 O ATOM 789 OE2 GLU A 48 12.925 1.851 -9.006 1.00 0.00 O ATOM 0 H GLU A 48 11.901 7.920 -9.938 1.00 0.00 H new ATOM 0 HA GLU A 48 11.060 5.110 -10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.650 6.069 -9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.754 5.073 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.474 3.782 -10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.151 4.283 -10.395 1.00 0.00 H new ATOM 796 N CYS A 49 10.183 5.297 -7.649 1.00 0.00 N ATOM 797 CA CYS A 49 9.294 5.535 -6.525 1.00 0.00 C ATOM 798 C CYS A 49 10.093 6.225 -5.418 1.00 0.00 C ATOM 799 O CYS A 49 11.279 5.951 -5.241 1.00 0.00 O ATOM 800 CB CYS A 49 8.641 4.241 -6.035 1.00 0.00 C ATOM 801 SG CYS A 49 9.922 3.090 -5.414 1.00 0.00 S ATOM 0 H CYS A 49 10.426 4.318 -7.801 1.00 0.00 H new ATOM 0 HA CYS A 49 8.474 6.182 -6.838 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.925 4.462 -5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.084 3.774 -6.848 1.00 0.00 H new ATOM 0 HG CYS A 49 11.003 3.755 -5.133 1.00 0.00 H new ATOM 807 N LYS A 50 9.412 7.108 -4.702 1.00 0.00 N ATOM 808 CA LYS A 50 10.044 7.840 -3.617 1.00 0.00 C ATOM 809 C LYS A 50 9.339 7.503 -2.302 1.00 0.00 C ATOM 810 O LYS A 50 8.368 8.160 -1.928 1.00 0.00 O ATOM 811 CB LYS A 50 10.080 9.337 -3.930 1.00 0.00 C ATOM 812 CG LYS A 50 10.830 9.606 -5.237 1.00 0.00 C ATOM 813 CD LYS A 50 12.030 10.525 -5.000 1.00 0.00 C ATOM 814 CE LYS A 50 13.124 9.805 -4.210 1.00 0.00 C ATOM 815 NZ LYS A 50 14.165 10.763 -3.775 1.00 0.00 N ATOM 0 H LYS A 50 8.429 7.333 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 50 11.085 7.536 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.063 9.721 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.563 9.872 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.168 8.663 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.155 10.063 -5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.429 10.862 -5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.710 11.414 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.689 9.312 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.573 9.026 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.900 10.258 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.592 11.214 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.735 11.491 -3.170 1.00 0.00 H new ATOM 829 N GLY A 51 9.854 6.480 -1.636 1.00 0.00 N ATOM 830 CA GLY A 51 9.285 6.048 -0.371 1.00 0.00 C ATOM 831 C GLY A 51 8.529 4.727 -0.531 1.00 0.00 C ATOM 832 O GLY A 51 8.155 4.353 -1.641 1.00 0.00 O ATOM 0 H GLY A 51 10.659 5.938 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.078 5.930 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.609 6.814 0.008 1.00 0.00 H new ATOM 836 N VAL A 52 8.327 4.058 0.594 1.00 0.00 N ATOM 837 CA VAL A 52 7.623 2.787 0.592 1.00 0.00 C ATOM 838 C VAL A 52 6.909 2.603 1.933 1.00 0.00 C ATOM 839 O VAL A 52 7.357 3.119 2.955 1.00 0.00 O ATOM 840 CB VAL A 52 8.595 1.650 0.272 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.104 0.326 0.861 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.821 1.530 -1.236 1.00 0.00 C ATOM 0 H VAL A 52 8.638 4.372 1.513 1.00 0.00 H new ATOM 0 HA VAL A 52 6.861 2.774 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 52 9.552 1.887 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.813 -0.465 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.019 0.419 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.129 0.080 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.516 0.714 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.871 1.327 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.237 2.463 -1.617 1.00 0.00 H new ATOM 852 N ILE A 53 5.808 1.866 1.885 1.00 0.00 N ATOM 853 CA ILE A 53 5.028 1.608 3.082 1.00 0.00 C ATOM 854 C ILE A 53 4.608 0.137 3.105 1.00 0.00 C ATOM 855 O ILE A 53 3.631 -0.244 2.461 1.00 0.00 O ATOM 856 CB ILE A 53 3.853 2.584 3.177 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.178 3.903 2.474 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.436 2.799 4.634 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.969 4.840 2.478 1.00 0.00 C ATOM 0 H ILE A 53 5.439 1.440 1.035 1.00 0.00 H new ATOM 0 HA ILE A 53 5.630 1.782 3.974 1.00 0.00 H new ATOM 0 HB ILE A 53 3.001 2.144 2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.019 4.387 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.486 3.705 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.599 3.497 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.136 1.847 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.276 3.207 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.228 5.770 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.138 4.363 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.679 5.055 3.506 1.00 0.00 H new ATOM 871 N ASP A 54 5.366 -0.651 3.853 1.00 0.00 N ATOM 872 CA ASP A 54 5.085 -2.072 3.968 1.00 0.00 C ATOM 873 C ASP A 54 3.633 -2.266 4.410 1.00 0.00 C ATOM 874 O ASP A 54 3.237 -1.794 5.475 1.00 0.00 O ATOM 875 CB ASP A 54 5.989 -2.729 5.012 1.00 0.00 C ATOM 876 CG ASP A 54 6.074 -4.255 4.926 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.102 -4.848 4.409 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.107 -4.793 5.379 1.00 0.00 O ATOM 0 H ASP A 54 6.175 -0.332 4.386 1.00 0.00 H new ATOM 0 HA ASP A 54 5.264 -2.531 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.993 -2.318 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.631 -2.455 6.004 1.00 0.00 H new ATOM 883 N LEU A 55 2.880 -2.960 3.570 1.00 0.00 N ATOM 884 CA LEU A 55 1.481 -3.223 3.862 1.00 0.00 C ATOM 885 C LEU A 55 1.382 -4.316 4.928 1.00 0.00 C ATOM 886 O LEU A 55 0.462 -4.311 5.744 1.00 0.00 O ATOM 887 CB LEU A 55 0.718 -3.547 2.576 1.00 0.00 C ATOM 888 CG LEU A 55 0.679 -2.440 1.521 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.065 -2.947 0.215 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.047 -1.202 2.052 1.00 0.00 C ATOM 0 H LEU A 55 3.212 -3.348 2.687 1.00 0.00 H new ATOM 0 HA LEU A 55 1.004 -2.333 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.164 -4.434 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.307 -3.805 2.841 1.00 0.00 H new ATOM 0 HG LEU A 55 1.704 -2.143 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.050 -2.140 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.661 -3.775 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.953 -3.288 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.061 -0.430 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.070 -1.467 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.472 -0.826 2.934 1.00 0.00 H new ATOM 902 N ALA A 56 2.344 -5.226 4.886 1.00 0.00 N ATOM 903 CA ALA A 56 2.377 -6.323 5.839 1.00 0.00 C ATOM 904 C ALA A 56 2.615 -5.766 7.244 1.00 0.00 C ATOM 905 O ALA A 56 2.408 -6.464 8.235 1.00 0.00 O ATOM 906 CB ALA A 56 3.451 -7.330 5.421 1.00 0.00 C ATOM 0 H ALA A 56 3.106 -5.226 4.208 1.00 0.00 H new ATOM 0 HA ALA A 56 1.423 -6.850 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.476 -8.153 6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.220 -7.718 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.423 -6.838 5.401 1.00 0.00 H new ATOM 912 N GLU A 57 3.046 -4.514 7.284 1.00 0.00 N ATOM 913 CA GLU A 57 3.314 -3.855 8.551 1.00 0.00 C ATOM 914 C GLU A 57 2.063 -3.127 9.046 1.00 0.00 C ATOM 915 O GLU A 57 1.891 -2.928 10.247 1.00 0.00 O ATOM 916 CB GLU A 57 4.497 -2.892 8.429 1.00 0.00 C ATOM 917 CG GLU A 57 5.818 -3.657 8.325 1.00 0.00 C ATOM 918 CD GLU A 57 7.011 -2.699 8.366 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.925 -1.656 7.682 1.00 0.00 O ATOM 920 OE2 GLU A 57 7.981 -3.031 9.081 1.00 0.00 O ATOM 0 H GLU A 57 3.216 -3.938 6.459 1.00 0.00 H new ATOM 0 HA GLU A 57 3.582 -4.616 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.368 -2.261 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.523 -2.230 9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.893 -4.373 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.839 -4.230 7.398 1.00 0.00 H new ATOM 927 N VAL A 58 1.222 -2.749 8.094 1.00 0.00 N ATOM 928 CA VAL A 58 -0.008 -2.048 8.418 1.00 0.00 C ATOM 929 C VAL A 58 -0.783 -2.844 9.471 1.00 0.00 C ATOM 930 O VAL A 58 -1.200 -3.973 9.217 1.00 0.00 O ATOM 931 CB VAL A 58 -0.818 -1.795 7.145 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.272 -1.454 7.478 1.00 0.00 C ATOM 933 CG2 VAL A 58 -0.177 -0.695 6.297 1.00 0.00 C ATOM 0 H VAL A 58 1.369 -2.915 7.098 1.00 0.00 H new ATOM 0 HA VAL A 58 0.212 -1.070 8.847 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.816 -2.714 6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.825 -1.279 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.725 -2.284 8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.303 -0.556 8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.772 -0.535 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.133 0.229 6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.832 -0.995 6.015 1.00 0.00 H new ATOM 943 N GLU A 59 -0.951 -2.224 10.630 1.00 0.00 N ATOM 944 CA GLU A 59 -1.667 -2.861 11.722 1.00 0.00 C ATOM 945 C GLU A 59 -3.170 -2.872 11.435 1.00 0.00 C ATOM 946 O GLU A 59 -3.881 -3.780 11.864 1.00 0.00 O ATOM 947 CB GLU A 59 -1.368 -2.167 13.052 1.00 0.00 C ATOM 948 CG GLU A 59 0.111 -2.299 13.419 1.00 0.00 C ATOM 949 CD GLU A 59 0.281 -2.989 14.773 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.471 -2.616 15.699 1.00 0.00 O ATOM 951 OE2 GLU A 59 1.160 -3.875 14.853 1.00 0.00 O ATOM 0 H GLU A 59 -0.604 -1.287 10.836 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.324 -3.893 11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.637 -1.113 12.985 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.982 -2.603 13.840 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.631 -2.869 12.649 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.571 -1.311 13.450 1.00 0.00 H new ATOM 958 N ALA A 60 -3.610 -1.853 10.711 1.00 0.00 N ATOM 959 CA ALA A 60 -5.016 -1.735 10.362 1.00 0.00 C ATOM 960 C ALA A 60 -5.303 -0.304 9.902 1.00 0.00 C ATOM 961 O ALA A 60 -4.494 0.596 10.121 1.00 0.00 O ATOM 962 CB ALA A 60 -5.875 -2.147 11.559 1.00 0.00 C ATOM 0 H ALA A 60 -3.018 -1.102 10.357 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.265 -2.403 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.930 -2.059 11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.653 -3.180 11.828 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.655 -1.497 12.406 1.00 0.00 H new ATOM 968 N VAL A 61 -6.458 -0.139 9.274 1.00 0.00 N ATOM 969 CA VAL A 61 -6.863 1.166 8.782 1.00 0.00 C ATOM 970 C VAL A 61 -8.272 1.483 9.288 1.00 0.00 C ATOM 971 O VAL A 61 -9.031 0.578 9.628 1.00 0.00 O ATOM 972 CB VAL A 61 -6.752 1.208 7.256 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.889 -0.194 6.659 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.787 2.162 6.657 1.00 0.00 C ATOM 0 H VAL A 61 -7.126 -0.888 9.095 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.199 1.941 9.164 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.762 1.586 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.807 -0.137 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.098 -0.835 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.860 -0.611 6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.686 2.173 5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.789 1.827 6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.624 3.167 7.047 1.00 0.00 H new ATOM 984 N ALA A 62 -8.578 2.772 9.321 1.00 0.00 N ATOM 985 CA ALA A 62 -9.882 3.220 9.780 1.00 0.00 C ATOM 986 C ALA A 62 -10.289 4.472 9.000 1.00 0.00 C ATOM 987 O ALA A 62 -9.445 5.301 8.666 1.00 0.00 O ATOM 988 CB ALA A 62 -9.836 3.462 11.290 1.00 0.00 C ATOM 0 H ALA A 62 -7.945 3.520 9.037 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.638 2.457 9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.814 3.798 11.635 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.571 2.535 11.799 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.091 4.225 11.514 1.00 0.00 H new ATOM 994 N PRO A 63 -11.618 4.571 8.727 1.00 0.00 N ATOM 995 CA PRO A 63 -12.148 5.708 7.993 1.00 0.00 C ATOM 996 C PRO A 63 -12.202 6.955 8.878 1.00 0.00 C ATOM 997 O PRO A 63 -13.210 7.213 9.533 1.00 0.00 O ATOM 998 CB PRO A 63 -13.519 5.261 7.512 1.00 0.00 C ATOM 999 CG PRO A 63 -13.898 4.073 8.381 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.647 3.608 9.107 1.00 0.00 C ATOM 0 HA PRO A 63 -11.519 5.995 7.150 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.249 6.065 7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.492 4.982 6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.672 4.354 9.096 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.306 3.268 7.770 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.798 3.595 10.186 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.371 2.596 8.811 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.103 7.696 8.869 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.012 8.909 9.662 1.00 0.00 C ATOM 1010 C GLY A 64 -11.888 10.017 9.072 1.00 0.00 C ATOM 1011 O GLY A 64 -12.541 9.818 8.049 1.00 0.00 O ATOM 0 H GLY A 64 -10.268 7.479 8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.322 8.702 10.686 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.975 9.243 9.704 1.00 0.00 H new ATOM 1015 N THR A 65 -11.873 11.159 9.743 1.00 0.00 N ATOM 1016 CA THR A 65 -12.658 12.299 9.298 1.00 0.00 C ATOM 1017 C THR A 65 -11.740 13.410 8.784 1.00 0.00 C ATOM 1018 O THR A 65 -10.575 13.486 9.170 1.00 0.00 O ATOM 1019 CB THR A 65 -13.553 12.738 10.458 1.00 0.00 C ATOM 1020 OG1 THR A 65 -12.729 12.584 11.611 1.00 0.00 O ATOM 1021 CG2 THR A 65 -14.715 11.773 10.699 1.00 0.00 C ATOM 0 H THR A 65 -11.330 11.320 10.591 1.00 0.00 H new ATOM 0 HA THR A 65 -13.299 12.035 8.457 1.00 0.00 H new ATOM 0 HB THR A 65 -13.945 13.735 10.256 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.231 12.849 12.410 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.319 12.131 11.533 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.332 11.716 9.802 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.323 10.783 10.934 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.315 14.266 7.898 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.562 15.370 7.327 1.00 0.00 C ATOM 1031 C PRO A 66 -11.378 16.495 8.348 1.00 0.00 C ATOM 1032 O PRO A 66 -12.349 17.129 8.760 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.359 15.800 6.107 1.00 0.00 C ATOM 1034 CG PRO A 66 -13.757 15.236 6.301 1.00 0.00 C ATOM 1035 CD PRO A 66 -13.693 14.207 7.418 1.00 0.00 C ATOM 0 HA PRO A 66 -10.548 15.086 7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.385 16.886 6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.908 15.418 5.191 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.458 16.031 6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.115 14.777 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.400 14.442 8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.943 13.211 7.053 1.00 0.00 H new ATOM 1043 N THR A 67 -10.127 16.708 8.728 1.00 0.00 N ATOM 1044 CA THR A 67 -9.804 17.745 9.693 1.00 0.00 C ATOM 1045 C THR A 67 -9.392 19.031 8.975 1.00 0.00 C ATOM 1046 O THR A 67 -9.564 19.153 7.763 1.00 0.00 O ATOM 1047 CB THR A 67 -8.724 17.199 10.629 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.526 17.276 9.861 1.00 0.00 O ATOM 1049 CG2 THR A 67 -8.892 15.704 10.908 1.00 0.00 C ATOM 0 H THR A 67 -9.325 16.180 8.385 1.00 0.00 H new ATOM 0 HA THR A 67 -10.673 18.010 10.295 1.00 0.00 H new ATOM 0 HB THR A 67 -8.748 17.749 11.570 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.774 16.943 10.394 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.100 15.368 11.577 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.861 15.528 11.375 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.835 15.150 9.971 1.00 0.00 H new ATOM 1057 N ILE A 68 -8.855 19.960 9.753 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.417 21.233 9.207 1.00 0.00 C ATOM 1059 C ILE A 68 -7.226 21.000 8.275 1.00 0.00 C ATOM 1060 O ILE A 68 -6.282 20.296 8.631 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.131 22.229 10.332 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -9.426 22.661 11.024 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.330 23.425 9.815 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -9.396 22.311 12.513 1.00 0.00 C ATOM 0 H ILE A 68 -8.713 19.856 10.758 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.209 21.683 8.608 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.516 21.731 11.082 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.567 23.735 10.902 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.277 22.172 10.549 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.140 24.118 10.635 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.381 23.078 9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.897 23.933 9.035 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.328 22.629 12.980 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.280 21.234 12.631 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.559 22.821 12.990 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.309 21.605 7.099 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.250 21.472 6.113 1.00 0.00 C ATOM 1078 C GLY A 69 -6.703 20.607 4.935 1.00 0.00 C ATOM 1079 O GLY A 69 -6.550 20.997 3.778 1.00 0.00 O ATOM 0 H GLY A 69 -8.093 22.188 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.957 22.458 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.370 21.028 6.577 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.250 19.447 5.270 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.725 18.523 4.255 1.00 0.00 C ATOM 1085 C ALA A 70 -8.616 19.275 3.264 1.00 0.00 C ATOM 1086 O ALA A 70 -9.180 20.317 3.596 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.455 17.358 4.926 1.00 0.00 C ATOM 0 H ALA A 70 -7.375 19.127 6.230 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.888 18.105 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.811 16.665 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.771 16.839 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.303 17.739 5.495 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.718 18.703 2.034 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.530 19.308 0.992 1.00 0.00 C ATOM 1095 C PRO A 71 -11.020 19.083 1.258 1.00 0.00 C ATOM 1096 O PRO A 71 -11.425 17.991 1.653 1.00 0.00 O ATOM 1097 CB PRO A 71 -9.054 18.666 -0.301 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.324 17.397 0.108 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.064 17.470 1.604 1.00 0.00 C ATOM 0 HA PRO A 71 -9.418 20.391 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.894 18.439 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.393 19.337 -0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.922 16.518 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.385 17.304 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.475 16.603 2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.996 17.492 1.820 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.794 20.134 1.032 1.00 0.00 N ATOM 1108 CA LYS A 72 -13.230 20.064 1.242 1.00 0.00 C ATOM 1109 C LYS A 72 -13.843 19.094 0.231 1.00 0.00 C ATOM 1110 O LYS A 72 -14.649 18.239 0.595 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.846 21.464 1.201 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.652 22.187 2.536 1.00 0.00 C ATOM 1113 CD LYS A 72 -12.267 22.832 2.614 1.00 0.00 C ATOM 1114 CE LYS A 72 -12.185 24.065 1.711 1.00 0.00 C ATOM 1115 NZ LYS A 72 -12.695 25.261 2.418 1.00 0.00 N ATOM 0 H LYS A 72 -11.454 21.039 0.706 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.451 19.672 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.388 22.044 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.910 21.391 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.420 22.951 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.775 21.481 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.052 23.116 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.508 22.108 2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.152 24.230 1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.765 23.897 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.632 26.088 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.687 25.107 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.125 25.429 3.271 1.00 0.00 H new ATOM 1129 N THR A 73 -13.437 19.258 -1.020 1.00 0.00 N ATOM 1130 CA THR A 73 -13.937 18.407 -2.087 1.00 0.00 C ATOM 1131 C THR A 73 -14.081 16.965 -1.595 1.00 0.00 C ATOM 1132 O THR A 73 -15.150 16.369 -1.713 1.00 0.00 O ATOM 1133 CB THR A 73 -12.996 18.549 -3.285 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.716 18.200 -2.764 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.833 20.003 -3.731 1.00 0.00 C ATOM 0 H THR A 73 -12.768 19.967 -1.318 1.00 0.00 H new ATOM 0 HA THR A 73 -14.935 18.712 -2.402 1.00 0.00 H new ATOM 0 HB THR A 73 -13.374 17.954 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.045 18.263 -3.475 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.156 20.048 -4.584 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.804 20.407 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.423 20.592 -2.910 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.988 16.446 -1.054 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.979 15.085 -0.544 1.00 0.00 C ATOM 1145 C VAL A 74 -14.049 14.945 0.541 1.00 0.00 C ATOM 1146 O VAL A 74 -14.320 15.893 1.277 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.577 14.720 -0.052 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.553 13.308 0.536 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.548 14.863 -1.175 1.00 0.00 C ATOM 0 H VAL A 74 -12.103 16.943 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.225 14.378 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.308 15.418 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.545 13.073 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.244 13.252 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.853 12.591 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.560 14.598 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.813 14.200 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.537 15.894 -1.529 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.628 13.755 0.606 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.661 13.478 1.588 1.00 0.00 C ATOM 1161 C ASP A 75 -15.072 12.629 2.717 1.00 0.00 C ATOM 1162 O ASP A 75 -14.144 11.853 2.495 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.820 12.698 0.964 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.206 13.303 1.195 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.313 14.542 1.067 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.128 12.513 1.493 1.00 0.00 O ATOM 0 H ASP A 75 -14.401 12.971 -0.006 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.031 14.431 1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.649 12.620 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.812 11.684 1.363 1.00 0.00 H new ATOM 1171 N GLU A 76 -15.637 12.804 3.903 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.179 12.064 5.066 1.00 0.00 C ATOM 1173 C GLU A 76 -15.199 10.561 4.780 1.00 0.00 C ATOM 1174 O GLU A 76 -14.445 9.800 5.385 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.024 12.399 6.296 1.00 0.00 C ATOM 1176 CG GLU A 76 -17.492 12.032 6.070 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.209 11.792 7.401 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -17.789 10.852 8.110 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.160 12.553 7.678 1.00 0.00 O ATOM 0 H GLU A 76 -16.408 13.447 4.083 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.152 12.360 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.640 11.861 7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.942 13.463 6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.991 12.833 5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.556 11.136 5.452 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.069 10.178 3.857 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.197 8.779 3.484 1.00 0.00 C ATOM 1188 C LYS A 77 -15.038 8.394 2.563 1.00 0.00 C ATOM 1189 O LYS A 77 -14.946 7.250 2.120 1.00 0.00 O ATOM 1190 CB LYS A 77 -17.577 8.510 2.880 1.00 0.00 C ATOM 1191 CG LYS A 77 -18.600 8.190 3.972 1.00 0.00 C ATOM 1192 CD LYS A 77 -19.517 7.041 3.545 1.00 0.00 C ATOM 1193 CE LYS A 77 -20.903 7.560 3.160 1.00 0.00 C ATOM 1194 NZ LYS A 77 -21.842 6.434 2.962 1.00 0.00 N ATOM 0 H LYS A 77 -16.692 10.812 3.356 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.130 8.142 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.906 9.381 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.515 7.677 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.082 7.924 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.197 9.076 4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.075 6.513 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.607 6.321 4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.279 8.222 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.836 8.150 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.778 6.804 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.490 5.818 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.919 5.887 3.843 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.181 9.370 2.303 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.031 9.147 1.443 1.00 0.00 C ATOM 1210 C ALA A 78 -11.749 9.413 2.235 1.00 0.00 C ATOM 1211 O ALA A 78 -10.732 9.805 1.663 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.143 10.033 0.201 1.00 0.00 C ATOM 0 H ALA A 78 -14.260 10.317 2.673 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.000 8.112 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.280 9.866 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.055 9.785 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.173 11.080 0.502 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.838 9.189 3.538 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.698 9.400 4.413 1.00 0.00 C ATOM 1220 C PHE A 79 -10.455 8.177 5.300 1.00 0.00 C ATOM 1221 O PHE A 79 -11.301 7.822 6.120 1.00 0.00 O ATOM 1222 CB PHE A 79 -11.031 10.601 5.301 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.642 11.950 4.693 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -9.362 12.397 4.792 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -11.578 12.703 4.054 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -9.001 13.650 4.228 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -11.217 13.955 3.490 1.00 0.00 C ATOM 1228 CZ PHE A 79 -9.937 14.402 3.589 1.00 0.00 C ATOM 0 H PHE A 79 -12.682 8.863 4.009 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.800 9.570 3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.101 10.602 5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.522 10.485 6.258 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.619 11.799 5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.595 12.348 3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.984 14.005 4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.960 14.552 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.663 15.355 3.160 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.295 7.567 5.107 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.930 6.391 5.879 1.00 0.00 C ATOM 1240 C PHE A 80 -7.489 6.491 6.382 1.00 0.00 C ATOM 1241 O PHE A 80 -6.578 6.788 5.610 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.049 5.186 4.944 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.044 5.192 3.790 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.227 6.027 2.732 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.966 4.363 3.824 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.294 6.032 1.662 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -6.033 4.369 2.754 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.216 5.203 1.696 1.00 0.00 C ATOM 0 H PHE A 80 -8.595 7.865 4.427 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.584 6.298 6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.914 4.274 5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.058 5.156 4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.082 6.686 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.820 3.701 4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.440 6.694 0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.177 3.711 2.780 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.506 5.207 0.883 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.327 6.238 7.672 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.011 6.295 8.286 1.00 0.00 C ATOM 1260 C ASP A 81 -5.337 4.927 8.168 1.00 0.00 C ATOM 1261 O ASP A 81 -5.989 3.895 8.319 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.112 6.645 9.773 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.530 8.007 10.158 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -6.044 9.014 9.626 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -4.585 8.009 10.975 1.00 0.00 O ATOM 0 H ASP A 81 -8.085 5.993 8.309 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.433 7.063 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.161 6.619 10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.601 5.873 10.348 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.040 4.963 7.898 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.271 3.739 7.757 1.00 0.00 C ATOM 1272 C VAL A 82 -2.314 3.604 8.943 1.00 0.00 C ATOM 1273 O VAL A 82 -1.334 4.341 9.042 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.554 3.724 6.405 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.500 2.615 6.356 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.553 3.583 5.256 1.00 0.00 C ATOM 0 H VAL A 82 -3.503 5.821 7.773 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.929 2.870 7.770 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.041 4.679 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.005 2.626 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.762 2.779 7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.981 1.649 6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.017 3.575 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.107 2.651 5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.248 4.422 5.273 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.631 2.656 9.813 1.00 0.00 N ATOM 1287 CA LYS A 83 -1.811 2.415 10.989 1.00 0.00 C ATOM 1288 C LYS A 83 -0.731 1.387 10.649 1.00 0.00 C ATOM 1289 O LYS A 83 -1.039 0.276 10.220 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.686 2.018 12.179 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.571 3.185 12.624 1.00 0.00 C ATOM 1292 CD LYS A 83 -4.587 2.733 13.674 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.740 3.733 13.787 1.00 0.00 C ATOM 1294 NZ LYS A 83 -6.307 3.718 15.154 1.00 0.00 N ATOM 0 H LYS A 83 -3.444 2.046 9.727 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.298 3.328 11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.310 1.167 11.908 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.055 1.699 13.008 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.950 3.982 13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.094 3.599 11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.978 1.751 13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.095 2.629 14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.385 4.735 13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.516 3.486 13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.088 4.402 15.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.664 2.766 15.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.568 3.976 15.839 1.00 0.00 H new ATOM 1308 N THR A 84 0.513 1.794 10.854 1.00 0.00 N ATOM 1309 CA THR A 84 1.641 0.921 10.575 1.00 0.00 C ATOM 1310 C THR A 84 2.532 0.789 11.812 1.00 0.00 C ATOM 1311 O THR A 84 2.184 1.276 12.887 1.00 0.00 O ATOM 1312 CB THR A 84 2.377 1.475 9.354 1.00 0.00 C ATOM 1313 OG1 THR A 84 2.277 2.889 9.500 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.641 1.183 8.044 1.00 0.00 C ATOM 0 H THR A 84 0.765 2.716 11.210 1.00 0.00 H new ATOM 0 HA THR A 84 1.309 -0.091 10.342 1.00 0.00 H new ATOM 0 HB THR A 84 3.379 1.048 9.310 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.517 3.141 10.416 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.206 1.598 7.209 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.541 0.105 7.915 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.651 1.638 8.074 1.00 0.00 H new ATOM 1322 N THR A 85 3.664 0.128 11.619 1.00 0.00 N ATOM 1323 CA THR A 85 4.607 -0.074 12.706 1.00 0.00 C ATOM 1324 C THR A 85 5.411 1.203 12.959 1.00 0.00 C ATOM 1325 O THR A 85 5.809 1.476 14.091 1.00 0.00 O ATOM 1326 CB THR A 85 5.479 -1.282 12.356 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.799 -1.092 10.981 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.696 -2.596 12.379 1.00 0.00 C ATOM 0 H THR A 85 3.949 -0.274 10.726 1.00 0.00 H new ATOM 0 HA THR A 85 4.092 -0.287 13.643 1.00 0.00 H new ATOM 0 HB THR A 85 6.311 -1.344 13.057 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.675 -1.487 10.791 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.362 -3.421 12.124 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.285 -2.757 13.375 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.883 -2.548 11.654 1.00 0.00 H new ATOM 1336 N ARG A 86 5.625 1.951 11.887 1.00 0.00 N ATOM 1337 CA ARG A 86 6.374 3.193 11.979 1.00 0.00 C ATOM 1338 C ARG A 86 5.518 4.282 12.629 1.00 0.00 C ATOM 1339 O ARG A 86 5.713 4.614 13.797 1.00 0.00 O ATOM 1340 CB ARG A 86 6.827 3.667 10.597 1.00 0.00 C ATOM 1341 CG ARG A 86 8.138 2.993 10.188 1.00 0.00 C ATOM 1342 CD ARG A 86 8.945 3.889 9.246 1.00 0.00 C ATOM 1343 NE ARG A 86 10.341 3.998 9.724 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.304 4.676 9.083 1.00 0.00 C ATOM 1345 NH1 ARG A 86 11.026 5.309 7.934 1.00 0.00 N ATOM 1346 NH2 ARG A 86 12.543 4.721 9.590 1.00 0.00 N ATOM 0 H ARG A 86 5.293 1.721 10.950 1.00 0.00 H new ATOM 0 HA ARG A 86 7.255 3.004 12.592 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.054 3.444 9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.957 4.749 10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.728 2.769 11.076 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.925 2.043 9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.929 3.478 8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.491 4.879 9.194 1.00 0.00 H new ATOM 0 HE ARG A 86 10.586 3.528 10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.082 5.275 7.548 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.758 5.825 7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.754 4.239 10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.275 5.237 9.102 1.00 0.00 H new ATOM 1360 N ARG A 87 4.590 4.808 11.844 1.00 0.00 N ATOM 1361 CA ARG A 87 3.704 5.852 12.328 1.00 0.00 C ATOM 1362 C ARG A 87 2.347 5.765 11.627 1.00 0.00 C ATOM 1363 O ARG A 87 2.155 4.935 10.739 1.00 0.00 O ATOM 1364 CB ARG A 87 4.305 7.239 12.090 1.00 0.00 C ATOM 1365 CG ARG A 87 4.189 7.642 10.618 1.00 0.00 C ATOM 1366 CD ARG A 87 5.436 8.397 10.156 1.00 0.00 C ATOM 1367 NE ARG A 87 5.104 9.268 9.007 1.00 0.00 N ATOM 1368 CZ ARG A 87 6.014 9.802 8.181 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.318 9.557 8.372 1.00 0.00 N ATOM 1370 NH2 ARG A 87 5.621 10.581 7.164 1.00 0.00 N ATOM 0 H ARG A 87 4.432 4.530 10.875 1.00 0.00 H new ATOM 0 HA ARG A 87 3.573 5.704 13.400 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.793 7.973 12.713 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.353 7.242 12.390 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.050 6.752 10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.308 8.268 10.477 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.832 8.997 10.975 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.216 7.690 9.873 1.00 0.00 H new ATOM 0 HE ARG A 87 4.121 9.475 8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.617 8.964 9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.011 9.963 7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.629 10.768 7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.314 10.987 6.535 1.00 0.00 H new ATOM 1384 N VAL A 88 1.440 6.633 12.051 1.00 0.00 N ATOM 1385 CA VAL A 88 0.107 6.665 11.475 1.00 0.00 C ATOM 1386 C VAL A 88 0.100 7.603 10.266 1.00 0.00 C ATOM 1387 O VAL A 88 0.657 8.698 10.323 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.916 7.059 12.542 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.112 7.779 11.917 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.369 5.837 13.345 1.00 0.00 C ATOM 0 H VAL A 88 1.603 7.320 12.787 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.178 5.675 11.120 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.432 7.752 13.230 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.824 8.048 12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.770 8.682 11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.596 7.121 11.195 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.096 6.145 14.097 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.826 5.110 12.674 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.508 5.385 13.837 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.535 7.138 9.200 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.621 7.922 7.979 1.00 0.00 C ATOM 1402 C TYR A 89 -2.064 8.352 7.705 1.00 0.00 C ATOM 1403 O TYR A 89 -2.997 7.581 7.922 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.154 6.999 6.852 1.00 0.00 C ATOM 1405 CG TYR A 89 1.332 6.639 6.918 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.280 7.637 7.015 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.724 5.316 6.881 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.678 7.299 7.078 1.00 0.00 C ATOM 1409 CE2 TYR A 89 3.122 4.978 6.944 1.00 0.00 C ATOM 1410 CZ TYR A 89 4.030 5.986 7.039 1.00 0.00 C ATOM 1411 OH TYR A 89 5.351 5.666 7.098 1.00 0.00 O ATOM 0 H TYR A 89 -0.995 6.229 9.156 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.015 8.825 8.058 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.741 6.081 6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.359 7.479 5.895 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.973 8.672 7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.982 4.535 6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.430 8.070 7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.443 3.947 6.916 1.00 0.00 H new ATOM 0 HH TYR A 89 5.454 4.692 7.061 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.200 9.582 7.231 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.513 10.124 6.924 1.00 0.00 C ATOM 1423 C ASN A 90 -3.685 10.204 5.406 1.00 0.00 C ATOM 1424 O ASN A 90 -3.160 11.114 4.766 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.673 11.535 7.494 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.464 11.511 8.803 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.652 11.784 8.845 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.741 11.171 9.866 1.00 0.00 N ATOM 0 H ASN A 90 -1.423 10.218 7.052 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.261 9.468 7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.691 11.975 7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.183 12.169 6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.178 11.127 10.787 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.750 10.954 9.761 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.422 9.241 4.874 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.669 9.191 3.443 1.00 0.00 C ATOM 1437 C PHE A 91 -6.152 9.412 3.135 1.00 0.00 C ATOM 1438 O PHE A 91 -6.989 9.375 4.035 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.264 7.795 2.967 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.768 7.502 3.099 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.859 8.485 2.861 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.348 6.258 3.456 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.471 8.213 2.984 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.960 5.986 3.579 1.00 0.00 C ATOM 1445 CZ PHE A 91 -0.051 6.969 3.340 1.00 0.00 C ATOM 0 H PHE A 91 -4.857 8.489 5.408 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.100 9.973 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.821 7.052 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.556 7.679 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.193 9.472 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.070 5.478 3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.251 8.993 2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.626 4.999 3.862 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.005 6.762 3.433 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.431 9.637 1.859 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.798 9.864 1.421 1.00 0.00 C ATOM 1457 C CYS A 92 -7.824 9.827 -0.108 1.00 0.00 C ATOM 1458 O CYS A 92 -6.981 10.440 -0.762 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.357 11.178 1.971 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.056 12.465 1.959 1.00 0.00 S ATOM 0 H CYS A 92 -5.734 9.667 1.115 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.444 9.079 1.813 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.206 11.502 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.724 11.030 2.987 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.388 13.425 2.770 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.802 9.104 -0.634 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.950 8.979 -2.074 1.00 0.00 C ATOM 1468 C ALA A 93 -9.546 10.272 -2.635 1.00 0.00 C ATOM 1469 O ALA A 93 -9.790 11.221 -1.891 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.807 7.754 -2.395 1.00 0.00 C ATOM 0 H ALA A 93 -9.500 8.599 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.980 8.830 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.918 7.660 -3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.325 6.859 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.790 7.868 -1.938 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.764 10.267 -3.942 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.328 11.427 -4.610 1.00 0.00 C ATOM 1478 C GLN A 94 -11.853 11.316 -4.671 1.00 0.00 C ATOM 1479 O GLN A 94 -12.548 12.325 -4.779 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.735 11.595 -6.011 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.717 12.737 -6.042 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.131 13.813 -7.048 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -9.876 14.730 -6.744 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.608 13.650 -8.260 1.00 0.00 N ATOM 0 H GLN A 94 -9.560 9.478 -4.556 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.070 12.315 -4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.255 10.667 -6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.533 11.795 -6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.629 13.177 -5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.734 12.346 -6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.991 12.860 -8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.824 14.315 -9.002 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.328 10.082 -4.598 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.758 9.826 -4.642 1.00 0.00 C ATOM 1495 C ASP A 95 -14.171 9.045 -3.393 1.00 0.00 C ATOM 1496 O ASP A 95 -13.320 8.601 -2.625 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.129 8.989 -5.868 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.427 9.404 -6.565 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -15.842 10.563 -6.348 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.974 8.552 -7.298 1.00 0.00 O ATOM 0 H ASP A 95 -11.748 9.248 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.272 10.786 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.313 9.046 -6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.215 7.946 -5.565 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.478 8.902 -3.230 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.015 8.182 -2.088 1.00 0.00 C ATOM 1507 C VAL A 96 -15.839 6.679 -2.309 1.00 0.00 C ATOM 1508 O VAL A 96 -15.358 5.970 -1.426 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.472 8.586 -1.852 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.313 7.380 -1.429 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.569 9.712 -0.822 1.00 0.00 C ATOM 0 H VAL A 96 -16.181 9.272 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.469 8.443 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.873 8.960 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.344 7.694 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.283 6.623 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.912 6.963 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.615 9.980 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.142 9.378 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.019 10.582 -1.181 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.250 6.225 -3.523 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.142 4.818 -3.872 1.00 0.00 C ATOM 1523 C PRO A 97 -14.693 4.439 -4.181 1.00 0.00 C ATOM 1524 O PRO A 97 -14.339 3.261 -4.169 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.071 4.636 -5.061 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.305 6.028 -5.625 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.824 7.035 -4.593 1.00 0.00 C ATOM 0 HA PRO A 97 -16.430 4.158 -3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.624 3.982 -5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.011 4.175 -4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.765 6.156 -6.563 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.362 6.179 -5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.083 7.713 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.646 7.650 -4.227 1.00 0.00 H new ATOM 1535 N SER A 98 -13.892 5.459 -4.452 1.00 0.00 N ATOM 1536 CA SER A 98 -12.489 5.248 -4.764 1.00 0.00 C ATOM 1537 C SER A 98 -11.714 4.916 -3.488 1.00 0.00 C ATOM 1538 O SER A 98 -10.811 4.080 -3.506 1.00 0.00 O ATOM 1539 CB SER A 98 -11.886 6.477 -5.447 1.00 0.00 C ATOM 1540 OG SER A 98 -10.703 6.156 -6.175 1.00 0.00 O ATOM 0 H SER A 98 -14.189 6.435 -4.462 1.00 0.00 H new ATOM 0 HA SER A 98 -12.415 4.409 -5.455 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.621 6.913 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.656 7.233 -4.696 1.00 0.00 H new ATOM 0 HG SER A 98 -10.349 6.966 -6.598 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.094 5.587 -2.411 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.445 5.373 -1.128 1.00 0.00 C ATOM 1548 C ALA A 99 -11.778 3.969 -0.621 1.00 0.00 C ATOM 1549 O ALA A 99 -10.880 3.193 -0.297 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.879 6.465 -0.148 1.00 0.00 C ATOM 0 H ALA A 99 -12.843 6.279 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.362 5.438 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.392 6.305 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.594 7.441 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.961 6.428 -0.018 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.071 3.685 -0.567 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.534 2.387 -0.105 1.00 0.00 C ATOM 1558 C GLN A 100 -12.704 1.270 -0.741 1.00 0.00 C ATOM 1559 O GLN A 100 -12.286 0.336 -0.058 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.023 2.199 -0.400 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.848 3.343 0.194 1.00 0.00 C ATOM 1562 CD GLN A 100 -17.154 2.821 0.798 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -17.170 1.927 1.629 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -18.244 3.426 0.335 1.00 0.00 N ATOM 0 H GLN A 100 -13.813 4.332 -0.836 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.403 2.340 0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.181 2.153 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.362 1.249 0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.267 3.855 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.069 4.077 -0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.159 4.167 -0.360 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.165 3.149 0.675 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.489 1.403 -2.042 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.717 0.417 -2.777 1.00 0.00 C ATOM 1575 C GLN A 101 -10.300 0.319 -2.207 1.00 0.00 C ATOM 1576 O GLN A 101 -9.764 -0.777 -2.052 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.685 0.747 -4.271 1.00 0.00 C ATOM 1578 CG GLN A 101 -13.017 0.399 -4.938 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.814 0.030 -6.409 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.986 0.591 -7.108 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.614 -0.942 -6.837 1.00 0.00 N ATOM 0 H GLN A 101 -12.836 2.179 -2.605 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.202 -0.553 -2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.471 1.807 -4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.878 0.194 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.485 -0.433 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.698 1.247 -4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.285 -1.369 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.557 -1.261 -7.804 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.735 1.480 -1.911 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.391 1.539 -1.362 1.00 0.00 C ATOM 1592 C TRP A 102 -8.379 0.743 -0.055 1.00 0.00 C ATOM 1593 O TRP A 102 -7.620 -0.215 0.085 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.935 2.988 -1.183 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.240 3.579 -2.411 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.741 4.437 -3.310 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.888 3.317 -2.843 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.815 4.747 -4.285 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.652 4.044 -3.992 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.896 2.494 -2.281 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.432 4.021 -4.677 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.682 2.482 -2.977 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.429 3.208 -4.135 1.00 0.00 C ATOM 0 H TRP A 102 -10.183 2.387 -2.041 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.674 1.091 -2.050 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.801 3.603 -0.938 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.255 3.041 -0.333 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.744 4.836 -3.276 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.958 5.376 -5.075 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.058 1.917 -1.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.273 4.599 -5.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.886 1.865 -2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.463 3.145 -4.614 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.228 1.169 0.868 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.324 0.508 2.159 1.00 0.00 C ATOM 1616 C VAL A 103 -9.398 -1.005 1.947 1.00 0.00 C ATOM 1617 O VAL A 103 -8.547 -1.746 2.438 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.517 1.061 2.942 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.728 0.282 4.242 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.345 2.555 3.220 1.00 0.00 C ATOM 0 H VAL A 103 -9.856 1.964 0.748 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.437 0.710 2.759 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.408 0.935 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.582 0.695 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.917 -0.766 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.836 0.362 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.206 2.923 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.439 2.714 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.267 3.094 2.276 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.422 -1.420 1.216 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.617 -2.832 0.933 1.00 0.00 C ATOM 1632 C ASP A 104 -9.280 -3.456 0.530 1.00 0.00 C ATOM 1633 O ASP A 104 -8.833 -4.424 1.143 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.600 -3.031 -0.222 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.592 -4.181 -0.035 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.126 -5.341 -0.056 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.793 -3.875 0.124 1.00 0.00 O ATOM 0 H ASP A 104 -11.126 -0.803 0.811 1.00 0.00 H new ATOM 0 HA ASP A 104 -11.016 -3.304 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.160 -2.107 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.033 -3.205 -1.136 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.679 -2.877 -0.499 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.402 -3.364 -0.992 1.00 0.00 C ATOM 1644 C ARG A 105 -6.415 -3.530 0.166 1.00 0.00 C ATOM 1645 O ARG A 105 -5.995 -4.644 0.473 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.809 -2.406 -2.026 1.00 0.00 C ATOM 1647 CG ARG A 105 -6.986 -2.951 -3.445 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.574 -1.911 -4.488 1.00 0.00 C ATOM 1649 NE ARG A 105 -7.227 -2.207 -5.783 1.00 0.00 N ATOM 1650 CZ ARG A 105 -8.546 -2.114 -5.998 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -9.362 -1.733 -5.005 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -9.050 -2.402 -7.206 1.00 0.00 N ATOM 0 H ARG A 105 -9.053 -2.074 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.576 -4.330 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.292 -1.432 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.749 -2.254 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.387 -3.853 -3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.026 -3.236 -3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.854 -0.914 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.491 -1.914 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.636 -2.500 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -8.979 -1.514 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.366 -1.662 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.429 -2.692 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.054 -2.331 -7.370 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.073 -2.404 0.776 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.143 -2.411 1.892 1.00 0.00 C ATOM 1668 C ILE A 106 -5.598 -3.446 2.922 1.00 0.00 C ATOM 1669 O ILE A 106 -4.838 -4.346 3.280 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.985 -1.001 2.466 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.267 -0.083 1.474 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -4.283 -1.038 3.825 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.608 1.385 1.740 1.00 0.00 C ATOM 0 H ILE A 106 -6.423 -1.481 0.518 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.149 -2.708 1.558 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.979 -0.584 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.190 -0.230 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.552 -0.348 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.183 -0.023 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.871 -1.635 4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.294 -1.482 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.085 2.016 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.683 1.533 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.299 1.653 2.750 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.834 -3.286 3.371 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.398 -4.196 4.353 1.00 0.00 C ATOM 1687 C GLN A 107 -7.263 -5.643 3.875 1.00 0.00 C ATOM 1688 O GLN A 107 -7.142 -6.559 4.687 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.860 -3.850 4.645 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.980 -3.006 5.916 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.139 -3.894 7.151 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.372 -5.088 7.063 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -8.999 -3.247 8.305 1.00 0.00 N ATOM 0 H GLN A 107 -7.461 -2.539 3.072 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.840 -4.087 5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.284 -3.306 3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.439 -4.767 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.095 -2.380 6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.836 -2.336 5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.804 -2.246 8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.086 -3.752 9.187 1.00 0.00 H new ATOM 1702 N SER A 108 -7.287 -5.803 2.560 1.00 0.00 N ATOM 1703 CA SER A 108 -7.168 -7.123 1.965 1.00 0.00 C ATOM 1704 C SER A 108 -5.710 -7.585 2.003 1.00 0.00 C ATOM 1705 O SER A 108 -5.405 -8.720 1.640 1.00 0.00 O ATOM 1706 CB SER A 108 -7.689 -7.128 0.526 1.00 0.00 C ATOM 1707 OG SER A 108 -7.913 -8.449 0.044 1.00 0.00 O ATOM 0 H SER A 108 -7.387 -5.040 1.890 1.00 0.00 H new ATOM 0 HA SER A 108 -7.777 -7.816 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.619 -6.561 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.972 -6.623 -0.121 1.00 0.00 H new ATOM 0 HG SER A 108 -7.228 -9.049 0.405 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.848 -6.682 2.446 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.429 -6.983 2.536 1.00 0.00 C ATOM 1715 C CYS A 109 -3.153 -7.589 3.913 1.00 0.00 C ATOM 1716 O CYS A 109 -2.751 -8.746 4.017 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.571 -5.743 2.275 1.00 0.00 C ATOM 1718 SG CYS A 109 -3.067 -4.958 0.698 1.00 0.00 S ATOM 0 H CYS A 109 -5.105 -5.742 2.747 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.157 -7.702 1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -2.684 -5.034 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.518 -6.021 2.237 1.00 0.00 H new ATOM 0 HG CYS A 109 -4.362 -4.983 0.589 1.00 0.00 H new ATOM 1724 N LEU A 110 -3.381 -6.779 4.937 1.00 0.00 N ATOM 1725 CA LEU A 110 -3.162 -7.221 6.304 1.00 0.00 C ATOM 1726 C LEU A 110 -3.495 -8.710 6.413 1.00 0.00 C ATOM 1727 O LEU A 110 -2.598 -9.551 6.432 1.00 0.00 O ATOM 1728 CB LEU A 110 -3.943 -6.342 7.283 1.00 0.00 C ATOM 1729 CG LEU A 110 -4.971 -5.395 6.661 1.00 0.00 C ATOM 1730 CD1 LEU A 110 -6.140 -5.150 7.617 1.00 0.00 C ATOM 1731 CD2 LEU A 110 -4.313 -4.089 6.213 1.00 0.00 C ATOM 0 H LEU A 110 -3.715 -5.819 4.847 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.113 -7.108 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.458 -6.991 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.230 -5.748 7.855 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.379 -5.872 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.856 -4.474 7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.630 -6.097 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.768 -4.704 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.066 -3.434 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.860 -3.596 7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.544 -4.305 5.472 1.00 0.00 H new ATOM 1743 N SER A 111 -4.788 -8.991 6.483 1.00 0.00 N ATOM 1744 CA SER A 111 -5.252 -10.364 6.590 1.00 0.00 C ATOM 1745 C SER A 111 -4.906 -11.134 5.314 1.00 0.00 C ATOM 1746 O SER A 111 -4.720 -10.536 4.256 1.00 0.00 O ATOM 1747 CB SER A 111 -6.758 -10.418 6.851 1.00 0.00 C ATOM 1748 OG SER A 111 -7.086 -11.321 7.904 1.00 0.00 O ATOM 0 H SER A 111 -5.529 -8.291 6.468 1.00 0.00 H new ATOM 0 HA SER A 111 -4.748 -10.830 7.436 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.118 -9.421 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.273 -10.722 5.940 1.00 0.00 H new ATOM 0 HG SER A 111 -8.056 -11.325 8.041 1.00 0.00 H new ATOM 1754 N SER A 112 -4.830 -12.449 5.457 1.00 0.00 N ATOM 1755 CA SER A 112 -4.510 -13.307 4.329 1.00 0.00 C ATOM 1756 C SER A 112 -3.145 -12.927 3.754 1.00 0.00 C ATOM 1757 O SER A 112 -2.704 -11.787 3.892 1.00 0.00 O ATOM 1758 CB SER A 112 -5.586 -13.216 3.245 1.00 0.00 C ATOM 1759 OG SER A 112 -6.104 -14.498 2.898 1.00 0.00 O ATOM 0 H SER A 112 -4.985 -12.941 6.337 1.00 0.00 H new ATOM 0 HA SER A 112 -4.475 -14.338 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.399 -12.579 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.167 -12.742 2.357 1.00 0.00 H new ATOM 0 HG SER A 112 -6.789 -14.397 2.205 1.00 0.00 H new ATOM 1765 N GLY A 113 -2.512 -13.904 3.120 1.00 0.00 N ATOM 1766 CA GLY A 113 -1.206 -13.686 2.523 1.00 0.00 C ATOM 1767 C GLY A 113 -0.514 -15.017 2.217 1.00 0.00 C ATOM 1768 O GLY A 113 -1.170 -15.994 1.860 1.00 0.00 O ATOM 0 H GLY A 113 -2.880 -14.849 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.314 -13.108 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -0.587 -13.097 3.199 1.00 0.00 H new ATOM 1772 N PRO A 114 0.837 -15.011 2.373 1.00 0.00 N ATOM 1773 CA PRO A 114 1.624 -16.205 2.117 1.00 0.00 C ATOM 1774 C PRO A 114 1.463 -17.221 3.249 1.00 0.00 C ATOM 1775 O PRO A 114 1.498 -18.428 3.015 1.00 0.00 O ATOM 1776 CB PRO A 114 3.053 -15.709 1.963 1.00 0.00 C ATOM 1777 CG PRO A 114 3.084 -14.327 2.595 1.00 0.00 C ATOM 1778 CD PRO A 114 1.648 -13.873 2.794 1.00 0.00 C ATOM 0 HA PRO A 114 1.302 -16.737 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 114 3.755 -16.380 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 114 3.340 -15.665 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.611 -14.355 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 114 3.621 -13.627 1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 114 1.456 -13.613 3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 114 1.427 -12.987 2.198 1.00 0.00 H new ATOM 1786 N SER A 115 1.290 -16.695 4.453 1.00 0.00 N ATOM 1787 CA SER A 115 1.124 -17.541 5.622 1.00 0.00 C ATOM 1788 C SER A 115 2.136 -18.688 5.587 1.00 0.00 C ATOM 1789 O SER A 115 1.858 -19.750 5.033 1.00 0.00 O ATOM 1790 CB SER A 115 -0.300 -18.093 5.705 1.00 0.00 C ATOM 1791 OG SER A 115 -1.153 -17.256 6.481 1.00 0.00 O ATOM 0 H SER A 115 1.261 -15.693 4.644 1.00 0.00 H new ATOM 0 HA SER A 115 1.302 -16.935 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.709 -18.194 4.700 1.00 0.00 H new ATOM 0 HB3 SER A 115 -0.277 -19.091 6.142 1.00 0.00 H new ATOM 0 HG SER A 115 -2.053 -17.642 6.508 1.00 0.00 H new ATOM 1797 N SER A 116 3.291 -18.434 6.186 1.00 0.00 N ATOM 1798 CA SER A 116 4.346 -19.432 6.230 1.00 0.00 C ATOM 1799 C SER A 116 4.931 -19.513 7.641 1.00 0.00 C ATOM 1800 O SER A 116 4.921 -20.575 8.261 1.00 0.00 O ATOM 1801 CB SER A 116 5.447 -19.114 5.217 1.00 0.00 C ATOM 1802 OG SER A 116 5.887 -17.762 5.312 1.00 0.00 O ATOM 0 H SER A 116 3.519 -17.552 6.645 1.00 0.00 H new ATOM 0 HA SER A 116 3.915 -20.398 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.293 -19.782 5.379 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.078 -19.305 4.209 1.00 0.00 H new ATOM 0 HG SER A 116 6.591 -17.600 4.650 1.00 0.00 H new ATOM 1808 N GLY A 117 5.427 -18.376 8.108 1.00 0.00 N ATOM 1809 CA GLY A 117 6.015 -18.305 9.435 1.00 0.00 C ATOM 1810 C GLY A 117 5.173 -17.426 10.362 1.00 0.00 C ATOM 1811 O GLY A 117 4.776 -16.324 9.986 1.00 0.00 O ATOM 0 H GLY A 117 5.434 -17.497 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 117 6.097 -19.308 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 117 7.026 -17.904 9.367 1.00 0.00 H new TER 1815 GLY A 117