USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 998 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.104 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 74:sc=0.000548 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -140:sc= 0.332 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.988 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= -0.183 (180deg=-0.215) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.125 F(o=-1.2,f=-0.12) USER MOD Single : A 40 ASN : amide:sc= -1.95! X(o=-1.9!,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.08! C(o=-2.2!,f=-1.1!) USER MOD Single : A 44 ASN : amide:sc= -2.35 K(o=-2.3,f=-4.7!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -40:sc= 1.19 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.196 K(o=-0.2,f=-3.3!) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00413 USER MOD Single : A 81 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.8!) USER MOD Single : A 84 HIS : no HD1:sc= -0.519 K(o=-0.52,f=-1.6) USER MOD Single : A 87 TYR OH : rot 160:sc= -1.46! USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 106:sc= -0.0209 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 109 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.097) USER MOD Single : A 115 THR OG1 : rot 103:sc= 1.23 USER MOD Single : A 116 GLN : amide:sc= -0.027 X(o=-0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 15.44 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 3.31 C ATOM 3 C MET A 1 2.000 -1.356 -1.937 1.00 74.14 C ATOM 4 O MET A 1 2.120 -2.401 -1.298 1.00 71.53 O ATOM 5 CB MET A 1 3.557 0.344 -0.966 1.00 63.25 C ATOM 6 CG MET A 1 4.387 0.529 -2.226 1.00 72.34 C ATOM 7 SD MET A 1 6.118 0.889 -1.872 1.00 74.21 S ATOM 8 CE MET A 1 6.919 0.108 -3.270 1.00 74.05 C ATOM 0 H1 MET A 1 1.407 0.932 0.455 1.00 15.44 H new ATOM 0 H2 MET A 1 0.330 -0.202 -0.207 1.00 15.44 H new ATOM 0 H3 MET A 1 1.704 -0.730 0.639 1.00 15.44 H new ATOM 0 HA MET A 1 1.667 0.756 -1.901 1.00 3.31 H new ATOM 0 HB2 MET A 1 3.601 1.259 -0.375 1.00 63.25 H new ATOM 0 HB3 MET A 1 4.000 -0.448 -0.362 1.00 63.25 H new ATOM 0 HG2 MET A 1 4.325 -0.374 -2.833 1.00 72.34 H new ATOM 0 HG3 MET A 1 3.965 1.341 -2.818 1.00 72.34 H new ATOM 0 HE1 MET A 1 7.998 0.245 -3.194 1.00 74.05 H new ATOM 0 HE2 MET A 1 6.687 -0.957 -3.274 1.00 74.05 H new ATOM 0 HE3 MET A 1 6.560 0.561 -4.194 1.00 74.05 H new ATOM 18 N SER A 2 1.784 -1.330 -3.248 1.00 74.23 N ATOM 19 CA SER A 2 1.671 -2.556 -4.029 1.00 34.35 C ATOM 20 C SER A 2 0.604 -3.476 -3.443 1.00 3.11 C ATOM 21 O SER A 2 0.787 -4.691 -3.372 1.00 53.21 O ATOM 22 CB SER A 2 3.017 -3.282 -4.075 1.00 53.05 C ATOM 23 OG SER A 2 4.084 -2.368 -4.259 1.00 72.31 O ATOM 0 H SER A 2 1.684 -0.473 -3.792 1.00 74.23 H new ATOM 0 HA SER A 2 1.377 -2.286 -5.043 1.00 34.35 H new ATOM 0 HB2 SER A 2 3.166 -3.838 -3.149 1.00 53.05 H new ATOM 0 HB3 SER A 2 3.014 -4.010 -4.886 1.00 53.05 H new ATOM 0 HG SER A 2 4.933 -2.857 -4.283 1.00 72.31 H new ATOM 29 N SER A 3 -0.511 -2.887 -3.025 1.00 72.01 N ATOM 30 CA SER A 3 -1.607 -3.651 -2.441 1.00 24.41 C ATOM 31 C SER A 3 -2.850 -3.580 -3.324 1.00 2.44 C ATOM 32 O SER A 3 -3.974 -3.717 -2.843 1.00 21.24 O ATOM 33 CB SER A 3 -1.933 -3.129 -1.040 1.00 44.53 C ATOM 34 OG SER A 3 -1.105 -3.738 -0.064 1.00 72.50 O ATOM 0 H SER A 3 -0.680 -1.883 -3.080 1.00 72.01 H new ATOM 0 HA SER A 3 -1.292 -4.692 -2.369 1.00 24.41 H new ATOM 0 HB2 SER A 3 -1.800 -2.048 -1.011 1.00 44.53 H new ATOM 0 HB3 SER A 3 -2.980 -3.327 -0.809 1.00 44.53 H new ATOM 0 HG SER A 3 -1.331 -3.387 0.822 1.00 72.50 H new ATOM 40 N GLU A 4 -2.637 -3.364 -4.618 1.00 74.53 N ATOM 41 CA GLU A 4 -3.740 -3.274 -5.568 1.00 44.43 C ATOM 42 C GLU A 4 -4.446 -4.619 -5.712 1.00 72.00 C ATOM 43 O GLU A 4 -5.652 -4.676 -5.958 1.00 41.22 O ATOM 44 CB GLU A 4 -3.229 -2.805 -6.932 1.00 55.41 C ATOM 45 CG GLU A 4 -2.730 -1.370 -6.936 1.00 51.52 C ATOM 46 CD GLU A 4 -3.860 -0.360 -6.998 1.00 0.52 C ATOM 47 OE1 GLU A 4 -4.642 -0.284 -6.028 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -3.960 0.355 -8.017 1.00 44.14 O ATOM 0 H GLU A 4 -1.712 -3.248 -5.032 1.00 74.53 H new ATOM 0 HA GLU A 4 -4.457 -2.547 -5.186 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -2.421 -3.462 -7.253 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -4.030 -2.904 -7.664 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -2.138 -1.193 -6.038 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -2.068 -1.222 -7.789 1.00 51.52 H new ATOM 55 N LEU A 5 -3.687 -5.698 -5.557 1.00 43.24 N ATOM 56 CA LEU A 5 -4.239 -7.044 -5.669 1.00 13.32 C ATOM 57 C LEU A 5 -5.433 -7.222 -4.737 1.00 63.44 C ATOM 58 O LEU A 5 -6.391 -7.924 -5.064 1.00 51.25 O ATOM 59 CB LEU A 5 -3.166 -8.085 -5.347 1.00 63.32 C ATOM 60 CG LEU A 5 -2.804 -8.241 -3.870 1.00 2.52 C ATOM 61 CD1 LEU A 5 -2.004 -9.515 -3.648 1.00 32.23 C ATOM 62 CD2 LEU A 5 -2.026 -7.028 -3.380 1.00 74.41 C ATOM 0 H LEU A 5 -2.688 -5.667 -5.353 1.00 43.24 H new ATOM 0 HA LEU A 5 -4.578 -7.187 -6.695 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -3.502 -9.052 -5.722 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -2.261 -7.827 -5.897 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.727 -8.312 -3.295 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.755 -9.609 -2.591 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.596 -10.375 -3.959 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -1.086 -9.475 -4.234 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.777 -7.157 -2.327 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -1.109 -6.926 -3.960 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.634 -6.132 -3.502 1.00 74.41 H new ATOM 74 N LEU A 6 -5.371 -6.581 -3.575 1.00 10.52 N ATOM 75 CA LEU A 6 -6.448 -6.667 -2.595 1.00 13.21 C ATOM 76 C LEU A 6 -7.782 -6.262 -3.215 1.00 51.12 C ATOM 77 O LEU A 6 -8.794 -6.938 -3.030 1.00 73.12 O ATOM 78 CB LEU A 6 -6.141 -5.775 -1.391 1.00 44.03 C ATOM 79 CG LEU A 6 -4.762 -5.955 -0.757 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.580 -4.993 0.407 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.569 -7.393 -0.298 1.00 22.10 C ATOM 0 H LEU A 6 -4.586 -5.996 -3.288 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.522 -7.703 -2.263 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -6.244 -4.735 -1.699 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.897 -5.957 -0.627 1.00 44.03 H new ATOM 0 HG LEU A 6 -4.006 -5.730 -1.509 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.593 -5.136 0.846 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.674 -3.968 0.050 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.343 -5.185 1.161 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.582 -7.502 0.151 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.332 -7.645 0.438 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.655 -8.063 -1.154 1.00 22.10 H new ATOM 93 N ASP A 7 -7.774 -5.158 -3.953 1.00 4.52 N ATOM 94 CA ASP A 7 -8.983 -4.665 -4.604 1.00 25.12 C ATOM 95 C ASP A 7 -9.302 -5.485 -5.850 1.00 33.21 C ATOM 96 O ASP A 7 -10.465 -5.638 -6.223 1.00 24.02 O ATOM 97 CB ASP A 7 -8.821 -3.190 -4.976 1.00 34.32 C ATOM 98 CG ASP A 7 -10.132 -2.431 -4.914 1.00 10.52 C ATOM 99 OD1 ASP A 7 -11.196 -3.084 -4.896 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -10.094 -1.182 -4.885 1.00 34.22 O ATOM 0 H ASP A 7 -6.944 -4.587 -4.116 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.811 -4.766 -3.903 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -8.103 -2.725 -4.301 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -8.408 -3.115 -5.982 1.00 34.32 H new ATOM 105 N ALA A 8 -8.262 -6.009 -6.490 1.00 74.43 N ATOM 106 CA ALA A 8 -8.432 -6.814 -7.693 1.00 44.45 C ATOM 107 C ALA A 8 -9.362 -7.995 -7.437 1.00 72.11 C ATOM 108 O ALA A 8 -10.276 -8.260 -8.218 1.00 71.43 O ATOM 109 CB ALA A 8 -7.082 -7.303 -8.196 1.00 72.11 C ATOM 0 H ALA A 8 -7.293 -5.890 -6.195 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.887 -6.186 -8.459 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -7.224 -7.903 -9.095 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.448 -6.447 -8.428 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.605 -7.910 -7.426 1.00 72.11 H new ATOM 115 N LEU A 9 -9.123 -8.703 -6.338 1.00 65.10 N ATOM 116 CA LEU A 9 -9.939 -9.857 -5.979 1.00 30.43 C ATOM 117 C LEU A 9 -11.386 -9.444 -5.729 1.00 2.51 C ATOM 118 O LEU A 9 -12.319 -10.081 -6.220 1.00 14.11 O ATOM 119 CB LEU A 9 -9.370 -10.541 -4.734 1.00 54.45 C ATOM 120 CG LEU A 9 -7.869 -10.831 -4.755 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.313 -10.867 -3.340 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.589 -12.143 -5.474 1.00 32.24 C ATOM 0 H LEU A 9 -8.371 -8.498 -5.681 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.919 -10.559 -6.813 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.587 -9.915 -3.869 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.900 -11.482 -4.587 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.371 -10.029 -5.299 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.244 -11.075 -3.374 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.480 -9.903 -2.859 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.816 -11.649 -2.771 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.516 -12.333 -5.479 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.099 -12.957 -4.958 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.951 -12.080 -6.500 1.00 32.24 H new ATOM 134 N THR A 10 -11.567 -8.372 -4.964 1.00 42.42 N ATOM 135 CA THR A 10 -12.900 -7.873 -4.650 1.00 45.22 C ATOM 136 C THR A 10 -13.728 -7.682 -5.916 1.00 33.22 C ATOM 137 O THR A 10 -14.897 -8.065 -5.967 1.00 71.53 O ATOM 138 CB THR A 10 -12.834 -6.536 -3.888 1.00 10.42 C ATOM 139 OG1 THR A 10 -12.127 -6.710 -2.654 1.00 72.25 O ATOM 140 CG2 THR A 10 -14.231 -6.003 -3.607 1.00 62.04 C ATOM 0 H THR A 10 -10.807 -7.832 -4.550 1.00 42.42 H new ATOM 0 HA THR A 10 -13.376 -8.621 -4.017 1.00 45.22 H new ATOM 0 HB THR A 10 -12.306 -5.814 -4.511 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.169 -6.803 -2.836 1.00 72.25 H new ATOM 0 HG21 THR A 10 -14.158 -5.058 -3.068 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.756 -5.844 -4.549 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.781 -6.724 -3.002 1.00 62.04 H new ATOM 148 N ILE A 11 -13.115 -7.090 -6.935 1.00 32.10 N ATOM 149 CA ILE A 11 -13.796 -6.851 -8.201 1.00 21.23 C ATOM 150 C ILE A 11 -14.393 -8.140 -8.756 1.00 62.33 C ATOM 151 O ILE A 11 -15.488 -8.138 -9.320 1.00 65.32 O ATOM 152 CB ILE A 11 -12.841 -6.249 -9.249 1.00 71.24 C ATOM 153 CG1 ILE A 11 -12.276 -4.917 -8.750 1.00 53.43 C ATOM 154 CG2 ILE A 11 -13.562 -6.060 -10.575 1.00 64.41 C ATOM 155 CD1 ILE A 11 -10.849 -4.666 -9.183 1.00 14.01 C ATOM 0 H ILE A 11 -12.148 -6.767 -6.909 1.00 32.10 H new ATOM 0 HA ILE A 11 -14.597 -6.139 -7.999 1.00 21.23 H new ATOM 0 HB ILE A 11 -12.012 -6.940 -9.403 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -12.906 -4.105 -9.114 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -12.326 -4.895 -7.661 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -12.874 -5.634 -11.306 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.921 -7.024 -10.934 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -14.408 -5.386 -10.437 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -10.514 -3.704 -8.794 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -10.207 -5.457 -8.796 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -10.796 -4.655 -10.272 1.00 14.01 H new ATOM 167 N LEU A 12 -13.667 -9.241 -8.591 1.00 75.15 N ATOM 168 CA LEU A 12 -14.125 -10.539 -9.073 1.00 35.45 C ATOM 169 C LEU A 12 -15.258 -11.074 -8.203 1.00 52.41 C ATOM 170 O LEU A 12 -16.186 -11.711 -8.700 1.00 23.30 O ATOM 171 CB LEU A 12 -12.966 -11.537 -9.091 1.00 52.11 C ATOM 172 CG LEU A 12 -11.611 -10.983 -9.532 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.565 -12.086 -9.554 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.723 -10.324 -10.899 1.00 60.44 C ATOM 0 H LEU A 12 -12.759 -9.260 -8.127 1.00 75.15 H new ATOM 0 HA LEU A 12 -14.501 -10.410 -10.088 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.857 -11.955 -8.090 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.232 -12.361 -9.753 1.00 52.11 H new ATOM 0 HG LEU A 12 -11.297 -10.227 -8.812 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.607 -11.673 -9.870 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.465 -12.512 -8.556 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.872 -12.865 -10.252 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.749 -9.936 -11.197 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -12.060 -11.059 -11.631 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -12.441 -9.505 -10.850 1.00 60.44 H new ATOM 186 N GLU A 13 -15.176 -10.809 -6.903 1.00 2.20 N ATOM 187 CA GLU A 13 -16.195 -11.263 -5.965 1.00 73.44 C ATOM 188 C GLU A 13 -17.565 -10.704 -6.338 1.00 24.32 C ATOM 189 O GLU A 13 -18.593 -11.344 -6.111 1.00 32.15 O ATOM 190 CB GLU A 13 -15.832 -10.843 -4.540 1.00 53.14 C ATOM 191 CG GLU A 13 -16.476 -11.706 -3.468 1.00 32.32 C ATOM 192 CD GLU A 13 -16.043 -11.317 -2.067 1.00 22.03 C ATOM 193 OE1 GLU A 13 -15.096 -10.513 -1.940 1.00 34.44 O1- ATOM 194 OE2 GLU A 13 -16.652 -11.817 -1.098 1.00 5.24 O ATOM 0 H GLU A 13 -14.414 -10.282 -6.476 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.239 -12.351 -6.015 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.749 -10.882 -4.424 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -16.132 -9.806 -4.388 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -17.560 -11.625 -3.545 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.221 -12.751 -3.646 1.00 32.32 H new ATOM 201 N LYS A 14 -17.573 -9.506 -6.912 1.00 41.41 N ATOM 202 CA LYS A 14 -18.815 -8.859 -7.318 1.00 53.15 C ATOM 203 C LYS A 14 -19.600 -9.745 -8.281 1.00 32.03 C ATOM 204 O LYS A 14 -20.819 -9.624 -8.394 1.00 33.02 O ATOM 205 CB LYS A 14 -18.520 -7.509 -7.976 1.00 52.04 C ATOM 206 CG LYS A 14 -19.740 -6.614 -8.102 1.00 23.23 C ATOM 207 CD LYS A 14 -19.436 -5.367 -8.915 1.00 74.34 C ATOM 208 CE LYS A 14 -20.676 -4.851 -9.629 1.00 0.54 C ATOM 209 NZ LYS A 14 -20.331 -4.106 -10.872 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.732 -8.963 -7.107 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.420 -8.697 -6.426 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.758 -6.990 -7.395 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -18.102 -7.681 -8.968 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -20.551 -7.168 -8.574 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -20.086 -6.327 -7.109 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -19.043 -4.590 -8.259 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -18.659 -5.589 -9.647 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -21.327 -5.689 -9.877 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -21.236 -4.199 -8.959 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -21.203 -3.771 -11.329 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -19.730 -3.291 -10.633 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -19.819 -4.735 -11.523 1.00 44.11 H new ATOM 223 N GLU A 15 -18.893 -10.634 -8.970 1.00 31.13 N ATOM 224 CA GLU A 15 -19.525 -11.540 -9.922 1.00 10.21 C ATOM 225 C GLU A 15 -20.087 -12.769 -9.213 1.00 74.31 C ATOM 226 O GLU A 15 -19.469 -13.306 -8.293 1.00 23.34 O ATOM 227 CB GLU A 15 -18.522 -11.970 -10.994 1.00 45.25 C ATOM 228 CG GLU A 15 -17.665 -10.830 -11.518 1.00 55.15 C ATOM 229 CD GLU A 15 -18.485 -9.620 -11.919 1.00 24.20 C ATOM 230 OE1 GLU A 15 -19.561 -9.806 -12.525 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -18.051 -8.486 -11.626 1.00 1.53 O ATOM 0 H GLU A 15 -17.883 -10.747 -8.887 1.00 31.13 H new ATOM 0 HA GLU A 15 -20.349 -11.008 -10.398 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.872 -12.742 -10.583 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -19.063 -12.419 -11.827 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -16.946 -10.539 -10.752 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -17.092 -11.177 -12.378 1.00 55.15 H new ATOM 238 N LYS A 16 -21.263 -13.209 -9.647 1.00 54.02 N ATOM 239 CA LYS A 16 -21.910 -14.374 -9.056 1.00 15.32 C ATOM 240 C LYS A 16 -21.295 -15.666 -9.586 1.00 60.10 C ATOM 241 O LYS A 16 -21.010 -15.785 -10.777 1.00 20.10 O ATOM 242 CB LYS A 16 -23.412 -14.354 -9.350 1.00 20.41 C ATOM 243 CG LYS A 16 -23.775 -14.950 -10.699 1.00 32.52 C ATOM 244 CD LYS A 16 -23.218 -14.121 -11.844 1.00 20.11 C ATOM 245 CE LYS A 16 -23.801 -12.716 -11.849 1.00 73.12 C ATOM 246 NZ LYS A 16 -23.353 -11.934 -13.035 1.00 30.23 N1+ ATOM 0 H LYS A 16 -21.788 -12.776 -10.407 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.757 -14.335 -7.978 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.934 -14.903 -8.567 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.768 -13.325 -9.309 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -23.389 -15.967 -10.764 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -24.859 -15.014 -10.789 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -22.133 -14.066 -11.760 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -23.440 -14.612 -12.792 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -24.889 -12.774 -11.842 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -23.504 -12.196 -10.938 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -23.772 -10.983 -13.002 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -22.316 -11.856 -13.028 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -23.658 -12.416 -13.904 1.00 30.23 H new ATOM 260 N GLY A 17 -21.094 -16.631 -8.694 1.00 53.14 N ATOM 261 CA GLY A 17 -20.515 -17.900 -9.092 1.00 1.24 C ATOM 262 C GLY A 17 -19.007 -17.833 -9.227 1.00 24.31 C ATOM 263 O GLY A 17 -18.361 -18.829 -9.555 1.00 30.33 O ATOM 0 H GLY A 17 -21.322 -16.556 -7.703 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -20.777 -18.662 -8.358 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -20.948 -18.211 -10.043 1.00 1.24 H new ATOM 267 N ILE A 18 -18.444 -16.656 -8.976 1.00 51.44 N ATOM 268 CA ILE A 18 -17.002 -16.463 -9.072 1.00 32.50 C ATOM 269 C ILE A 18 -16.390 -16.200 -7.700 1.00 3.32 C ATOM 270 O ILE A 18 -16.018 -15.071 -7.381 1.00 25.41 O ATOM 271 CB ILE A 18 -16.652 -15.294 -10.011 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.433 -15.412 -11.321 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.155 -15.262 -10.281 1.00 34.32 C ATOM 274 CD1 ILE A 18 -17.016 -14.401 -12.366 1.00 3.12 C ATOM 0 H ILE A 18 -18.964 -15.822 -8.705 1.00 51.44 H new ATOM 0 HA ILE A 18 -16.587 -17.384 -9.482 1.00 32.50 H new ATOM 0 HB ILE A 18 -16.934 -14.360 -9.525 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.300 -16.416 -11.725 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.496 -15.290 -11.113 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -14.923 -14.430 -10.946 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -14.618 -15.135 -9.341 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -14.850 -16.198 -10.750 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.611 -14.543 -13.268 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.175 -13.394 -11.981 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.961 -14.537 -12.603 1.00 3.12 H new ATOM 286 N SER A 19 -16.286 -17.251 -6.893 1.00 72.20 N ATOM 287 CA SER A 19 -15.721 -17.134 -5.554 1.00 5.03 C ATOM 288 C SER A 19 -14.269 -16.668 -5.616 1.00 10.11 C ATOM 289 O SER A 19 -13.406 -17.356 -6.162 1.00 55.41 O ATOM 290 CB SER A 19 -15.807 -18.474 -4.822 1.00 70.31 C ATOM 291 OG SER A 19 -16.719 -18.406 -3.739 1.00 12.11 O ATOM 0 H SER A 19 -16.586 -18.193 -7.143 1.00 72.20 H new ATOM 0 HA SER A 19 -16.300 -16.391 -5.006 1.00 5.03 H new ATOM 0 HB2 SER A 19 -16.121 -19.252 -5.517 1.00 70.31 H new ATOM 0 HB3 SER A 19 -14.820 -18.755 -4.454 1.00 70.31 H new ATOM 0 HG SER A 19 -16.353 -18.894 -2.972 1.00 12.11 H new ATOM 297 N LYS A 20 -14.007 -15.493 -5.054 1.00 21.45 N ATOM 298 CA LYS A 20 -12.661 -14.933 -5.043 1.00 74.43 C ATOM 299 C LYS A 20 -11.749 -15.727 -4.113 1.00 44.01 C ATOM 300 O LYS A 20 -10.526 -15.677 -4.238 1.00 62.25 O ATOM 301 CB LYS A 20 -12.700 -13.466 -4.607 1.00 25.14 C ATOM 302 CG LYS A 20 -13.368 -13.250 -3.260 1.00 31.04 C ATOM 303 CD LYS A 20 -12.344 -13.112 -2.146 1.00 45.33 C ATOM 304 CE LYS A 20 -11.886 -11.670 -1.985 1.00 73.32 C ATOM 305 NZ LYS A 20 -11.110 -11.472 -0.730 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.710 -14.910 -4.600 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.261 -14.994 -6.055 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.681 -13.081 -4.564 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -13.228 -12.885 -5.363 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -13.987 -12.354 -3.299 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -14.032 -14.087 -3.044 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.775 -13.465 -1.209 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.484 -13.746 -2.360 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.272 -11.386 -2.840 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -12.754 -11.011 -1.983 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -10.816 -10.477 -0.657 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -11.703 -11.719 0.088 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -10.268 -12.082 -0.743 1.00 24.23 H new ATOM 319 N GLU A 21 -12.353 -16.459 -3.182 1.00 64.52 N ATOM 320 CA GLU A 21 -11.593 -17.263 -2.233 1.00 11.33 C ATOM 321 C GLU A 21 -10.630 -18.198 -2.959 1.00 34.03 C ATOM 322 O GLU A 21 -9.507 -18.423 -2.506 1.00 42.53 O ATOM 323 CB GLU A 21 -12.540 -18.077 -1.347 1.00 34.13 C ATOM 324 CG GLU A 21 -13.647 -18.774 -2.120 1.00 74.01 C ATOM 325 CD GLU A 21 -14.331 -19.858 -1.309 1.00 20.11 C ATOM 326 OE1 GLU A 21 -13.619 -20.638 -0.643 1.00 12.41 O ATOM 327 OE2 GLU A 21 -15.577 -19.926 -1.341 1.00 42.41 O1- ATOM 0 H GLU A 21 -13.365 -16.512 -3.065 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.012 -16.586 -1.607 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -11.962 -18.824 -0.802 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -12.987 -17.416 -0.604 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -14.387 -18.037 -2.432 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -13.231 -19.212 -3.027 1.00 74.01 H new ATOM 334 N ILE A 22 -11.078 -18.739 -4.087 1.00 11.12 N ATOM 335 CA ILE A 22 -10.257 -19.649 -4.876 1.00 52.11 C ATOM 336 C ILE A 22 -9.225 -18.884 -5.698 1.00 5.14 C ATOM 337 O ILE A 22 -8.173 -19.421 -6.047 1.00 62.02 O ATOM 338 CB ILE A 22 -11.117 -20.507 -5.822 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.185 -21.264 -5.030 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.241 -21.476 -6.602 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.600 -20.918 -5.438 1.00 40.42 C ATOM 0 H ILE A 22 -12.005 -18.563 -4.475 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.744 -20.304 -4.171 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.617 -19.848 -6.532 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.030 -22.335 -5.159 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -12.059 -21.049 -3.969 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.864 -22.075 -7.266 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.515 -20.916 -7.192 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.716 -22.132 -5.907 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.303 -21.492 -4.835 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.773 -19.853 -5.282 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.744 -21.159 -6.491 1.00 40.42 H new ATOM 353 N ILE A 23 -9.532 -17.628 -6.003 1.00 13.43 N ATOM 354 CA ILE A 23 -8.630 -16.789 -6.781 1.00 72.34 C ATOM 355 C ILE A 23 -7.321 -16.549 -6.036 1.00 55.40 C ATOM 356 O ILE A 23 -6.242 -16.592 -6.627 1.00 31.34 O ATOM 357 CB ILE A 23 -9.273 -15.430 -7.116 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.572 -15.634 -7.899 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.303 -14.564 -7.905 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.382 -16.386 -9.198 1.00 34.01 C ATOM 0 H ILE A 23 -10.399 -17.169 -5.723 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.425 -17.323 -7.709 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.510 -14.918 -6.183 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.282 -16.177 -7.275 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -11.015 -14.661 -8.113 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.773 -13.607 -8.134 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.403 -14.394 -7.314 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -8.037 -15.069 -8.834 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.344 -16.494 -9.700 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.697 -15.834 -9.841 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.968 -17.373 -8.990 1.00 34.01 H new ATOM 372 N ILE A 24 -7.425 -16.299 -4.735 1.00 51.31 N ATOM 373 CA ILE A 24 -6.249 -16.056 -3.908 1.00 74.21 C ATOM 374 C ILE A 24 -5.234 -17.185 -4.051 1.00 44.54 C ATOM 375 O ILE A 24 -4.027 -16.957 -3.995 1.00 32.23 O ATOM 376 CB ILE A 24 -6.627 -15.905 -2.423 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.532 -14.687 -2.226 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.375 -15.785 -1.567 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.959 -15.045 -1.874 1.00 31.23 C ATOM 0 H ILE A 24 -8.311 -16.259 -4.231 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.804 -15.124 -4.257 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.173 -16.795 -2.110 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -7.118 -14.061 -1.436 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.530 -14.092 -3.139 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.659 -15.679 -0.520 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.764 -16.679 -1.688 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.804 -14.910 -1.878 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.543 -14.133 -1.749 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.391 -15.646 -2.674 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.973 -15.614 -0.945 1.00 31.23 H new ATOM 391 N GLU A 25 -5.734 -18.402 -4.237 1.00 72.53 N ATOM 392 CA GLU A 25 -4.869 -19.567 -4.389 1.00 43.13 C ATOM 393 C GLU A 25 -4.092 -19.500 -5.700 1.00 2.50 C ATOM 394 O GLU A 25 -2.986 -20.029 -5.806 1.00 34.42 O ATOM 395 CB GLU A 25 -5.696 -20.854 -4.338 1.00 73.04 C ATOM 396 CG GLU A 25 -6.700 -20.888 -3.198 1.00 44.41 C ATOM 397 CD GLU A 25 -7.303 -22.264 -2.993 1.00 73.01 C ATOM 398 OE1 GLU A 25 -6.752 -23.240 -3.542 1.00 32.20 O ATOM 399 OE2 GLU A 25 -8.327 -22.364 -2.285 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.732 -18.607 -4.286 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.156 -19.569 -3.564 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.227 -20.972 -5.282 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.022 -21.705 -4.243 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -6.210 -20.569 -2.278 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.497 -20.172 -3.399 1.00 44.41 H new ATOM 406 N ALA A 26 -4.680 -18.847 -6.697 1.00 1.41 N ATOM 407 CA ALA A 26 -4.043 -18.710 -8.001 1.00 44.13 C ATOM 408 C ALA A 26 -2.771 -17.875 -7.905 1.00 13.13 C ATOM 409 O ALA A 26 -1.734 -18.242 -8.459 1.00 24.00 O ATOM 410 CB ALA A 26 -5.010 -18.089 -8.998 1.00 14.40 C ATOM 0 H ALA A 26 -5.596 -18.405 -6.627 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.768 -19.705 -8.350 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.521 -17.993 -9.967 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.889 -18.725 -9.097 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.313 -17.103 -8.645 1.00 14.40 H new ATOM 416 N ILE A 27 -2.857 -16.752 -7.200 1.00 44.10 N ATOM 417 CA ILE A 27 -1.712 -15.866 -7.032 1.00 13.45 C ATOM 418 C ILE A 27 -0.537 -16.601 -6.396 1.00 13.44 C ATOM 419 O ILE A 27 0.574 -16.592 -6.926 1.00 54.42 O ATOM 420 CB ILE A 27 -2.068 -14.644 -6.166 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.160 -13.813 -6.842 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.830 -13.796 -5.912 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.556 -14.148 -6.367 1.00 74.33 C ATOM 0 H ILE A 27 -3.708 -16.434 -6.736 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.428 -15.525 -8.028 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.447 -14.995 -5.206 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.967 -12.756 -6.659 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.106 -13.965 -7.920 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.098 -12.936 -5.298 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.080 -14.393 -5.393 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.424 -13.451 -6.863 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.278 -13.520 -6.889 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.769 -15.197 -6.575 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.628 -13.969 -5.294 1.00 74.33 H new ATOM 435 N GLU A 28 -0.791 -17.239 -5.257 1.00 54.21 N ATOM 436 CA GLU A 28 0.246 -17.980 -4.550 1.00 54.51 C ATOM 437 C GLU A 28 0.905 -19.005 -5.468 1.00 43.41 C ATOM 438 O GLU A 28 2.124 -19.011 -5.636 1.00 43.02 O ATOM 439 CB GLU A 28 -0.343 -18.681 -3.324 1.00 64.12 C ATOM 440 CG GLU A 28 -0.928 -17.725 -2.298 1.00 40.22 C ATOM 441 CD GLU A 28 -1.993 -18.375 -1.436 1.00 51.43 C ATOM 442 OE1 GLU A 28 -2.606 -19.362 -1.893 1.00 63.03 O ATOM 443 OE2 GLU A 28 -2.212 -17.895 -0.304 1.00 75.44 O1- ATOM 0 H GLU A 28 -1.705 -17.257 -4.805 1.00 54.21 H new ATOM 0 HA GLU A 28 1.005 -17.270 -4.224 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -1.121 -19.371 -3.650 1.00 64.12 H new ATOM 0 HB3 GLU A 28 0.435 -19.279 -2.849 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.128 -17.349 -1.660 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.357 -16.864 -2.812 1.00 40.22 H new ATOM 450 N ALA A 29 0.089 -19.871 -6.060 1.00 30.04 N ATOM 451 CA ALA A 29 0.592 -20.900 -6.962 1.00 12.54 C ATOM 452 C ALA A 29 1.473 -20.294 -8.049 1.00 13.03 C ATOM 453 O ALA A 29 2.399 -20.939 -8.541 1.00 61.31 O ATOM 454 CB ALA A 29 -0.566 -21.667 -7.585 1.00 31.13 C ATOM 0 H ALA A 29 -0.923 -19.881 -5.931 1.00 30.04 H new ATOM 0 HA ALA A 29 1.201 -21.592 -6.381 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.176 -22.432 -8.256 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.154 -22.140 -6.799 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.198 -20.979 -8.147 1.00 31.13 H new ATOM 460 N ALA A 30 1.180 -19.052 -8.418 1.00 53.23 N ATOM 461 CA ALA A 30 1.947 -18.359 -9.446 1.00 23.45 C ATOM 462 C ALA A 30 3.308 -17.924 -8.914 1.00 61.02 C ATOM 463 O ALA A 30 4.346 -18.257 -9.488 1.00 51.44 O ATOM 464 CB ALA A 30 1.171 -17.157 -9.963 1.00 32.41 C ATOM 0 H ALA A 30 0.417 -18.505 -8.020 1.00 53.23 H new ATOM 0 HA ALA A 30 2.113 -19.052 -10.271 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.756 -16.649 -10.730 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.225 -17.491 -10.389 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.976 -16.469 -9.141 1.00 32.41 H new ATOM 470 N LEU A 31 3.298 -17.177 -7.816 1.00 5.35 N ATOM 471 CA LEU A 31 4.533 -16.695 -7.207 1.00 1.23 C ATOM 472 C LEU A 31 5.480 -17.852 -6.906 1.00 21.11 C ATOM 473 O LEU A 31 6.650 -17.825 -7.288 1.00 34.51 O ATOM 474 CB LEU A 31 4.224 -15.926 -5.921 1.00 45.33 C ATOM 475 CG LEU A 31 3.825 -14.460 -6.095 1.00 33.31 C ATOM 476 CD1 LEU A 31 2.311 -14.320 -6.127 1.00 53.12 C ATOM 477 CD2 LEU A 31 4.417 -13.610 -4.980 1.00 43.31 C ATOM 0 H LEU A 31 2.448 -16.892 -7.329 1.00 5.35 H new ATOM 0 HA LEU A 31 5.021 -16.026 -7.915 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.418 -16.441 -5.398 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.102 -15.969 -5.276 1.00 45.33 H new ATOM 0 HG LEU A 31 4.223 -14.105 -7.046 1.00 33.31 H new ATOM 0 HD11 LEU A 31 2.045 -13.270 -6.251 1.00 53.12 H new ATOM 0 HD12 LEU A 31 1.910 -14.897 -6.960 1.00 53.12 H new ATOM 0 HD13 LEU A 31 1.891 -14.692 -5.192 1.00 53.12 H new ATOM 0 HD21 LEU A 31 4.123 -12.570 -5.120 1.00 43.31 H new ATOM 0 HD22 LEU A 31 4.049 -13.965 -4.017 1.00 43.31 H new ATOM 0 HD23 LEU A 31 5.504 -13.686 -5.003 1.00 43.31 H new ATOM 489 N ILE A 32 4.965 -18.868 -6.221 1.00 24.45 N ATOM 490 CA ILE A 32 5.764 -20.036 -5.872 1.00 71.03 C ATOM 491 C ILE A 32 6.302 -20.727 -7.121 1.00 24.23 C ATOM 492 O ILE A 32 7.448 -21.176 -7.149 1.00 63.05 O ATOM 493 CB ILE A 32 4.949 -21.050 -5.049 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.797 -22.284 -4.734 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.685 -21.447 -5.798 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.373 -23.003 -3.472 1.00 4.22 C ATOM 0 H ILE A 32 3.999 -18.906 -5.897 1.00 24.45 H new ATOM 0 HA ILE A 32 6.599 -19.679 -5.269 1.00 71.03 H new ATOM 0 HB ILE A 32 4.659 -20.582 -4.108 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.741 -22.977 -5.573 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.840 -21.983 -4.638 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.120 -22.164 -5.203 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.074 -20.562 -5.976 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.955 -21.900 -6.752 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.018 -23.867 -3.311 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.456 -22.326 -2.622 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.340 -23.335 -3.572 1.00 4.22 H new ATOM 508 N SER A 33 5.467 -20.807 -8.152 1.00 23.51 N ATOM 509 CA SER A 33 5.858 -21.445 -9.403 1.00 62.33 C ATOM 510 C SER A 33 6.945 -20.640 -10.108 1.00 1.44 C ATOM 511 O SER A 33 7.884 -21.202 -10.669 1.00 2.10 O ATOM 512 CB SER A 33 4.644 -21.598 -10.323 1.00 3.21 C ATOM 513 OG SER A 33 5.043 -21.717 -11.677 1.00 24.42 O ATOM 0 H SER A 33 4.516 -20.438 -8.145 1.00 23.51 H new ATOM 0 HA SER A 33 6.256 -22.433 -9.169 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.071 -22.478 -10.031 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.986 -20.736 -10.209 1.00 3.21 H new ATOM 0 HG SER A 33 4.250 -21.815 -12.244 1.00 24.42 H new ATOM 519 N ALA A 34 6.810 -19.318 -10.073 1.00 22.53 N ATOM 520 CA ALA A 34 7.780 -18.434 -10.706 1.00 1.34 C ATOM 521 C ALA A 34 9.162 -18.600 -10.082 1.00 52.14 C ATOM 522 O ALA A 34 10.169 -18.662 -10.788 1.00 62.24 O ATOM 523 CB ALA A 34 7.322 -16.987 -10.602 1.00 23.24 C ATOM 0 H ALA A 34 6.038 -18.836 -9.613 1.00 22.53 H new ATOM 0 HA ALA A 34 7.850 -18.706 -11.759 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.056 -16.338 -11.079 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.359 -16.873 -11.100 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.222 -16.712 -9.552 1.00 23.24 H new ATOM 529 N TYR A 35 9.203 -18.669 -8.756 1.00 60.44 N ATOM 530 CA TYR A 35 10.462 -18.825 -8.037 1.00 42.44 C ATOM 531 C TYR A 35 10.952 -20.268 -8.103 1.00 40.45 C ATOM 532 O TYR A 35 12.147 -20.537 -7.975 1.00 13.24 O ATOM 533 CB TYR A 35 10.296 -18.397 -6.578 1.00 14.41 C ATOM 534 CG TYR A 35 11.515 -18.669 -5.725 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.698 -19.903 -5.114 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.483 -17.692 -5.530 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.809 -20.156 -4.333 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.598 -17.936 -4.753 1.00 13.02 C ATOM 539 CZ TYR A 35 13.757 -19.170 -4.156 1.00 1.20 C ATOM 540 OH TYR A 35 14.866 -19.417 -3.380 1.00 72.42 O ATOM 0 H TYR A 35 8.379 -18.619 -8.157 1.00 60.44 H new ATOM 0 HA TYR A 35 11.205 -18.186 -8.514 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.070 -17.331 -6.544 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.440 -18.918 -6.150 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.959 -20.678 -5.252 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.361 -16.725 -5.994 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.935 -21.121 -3.864 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.342 -17.165 -4.613 1.00 13.02 H new ATOM 0 HH TYR A 35 15.435 -18.619 -3.359 1.00 72.42 H new ATOM 550 N LYS A 36 10.021 -21.194 -8.305 1.00 5.13 N ATOM 551 CA LYS A 36 10.355 -22.610 -8.391 1.00 11.15 C ATOM 552 C LYS A 36 11.252 -22.886 -9.593 1.00 32.14 C ATOM 553 O LYS A 36 12.128 -23.750 -9.541 1.00 62.43 O ATOM 554 CB LYS A 36 9.080 -23.451 -8.489 1.00 64.34 C ATOM 555 CG LYS A 36 9.333 -24.948 -8.424 1.00 20.30 C ATOM 556 CD LYS A 36 8.207 -25.672 -7.705 1.00 1.42 C ATOM 557 CE LYS A 36 8.286 -25.470 -6.199 1.00 45.53 C ATOM 558 NZ LYS A 36 8.954 -26.614 -5.520 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.028 -20.988 -8.412 1.00 5.13 H new ATOM 0 HA LYS A 36 10.896 -22.885 -7.486 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.406 -23.169 -7.680 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.571 -23.217 -9.424 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.436 -25.345 -9.434 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.275 -25.137 -7.910 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.247 -25.309 -8.072 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.254 -26.737 -7.933 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.832 -24.551 -5.984 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.281 -25.345 -5.796 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 8.928 -26.470 -4.490 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 8.459 -27.497 -5.759 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 9.943 -26.676 -5.836 1.00 21.13 H new ATOM 572 N ARG A 37 11.030 -22.145 -10.674 1.00 74.25 N ATOM 573 CA ARG A 37 11.819 -22.310 -11.889 1.00 53.51 C ATOM 574 C ARG A 37 13.306 -22.128 -11.600 1.00 13.30 C ATOM 575 O ARG A 37 14.156 -22.637 -12.329 1.00 74.35 O ATOM 576 CB ARG A 37 11.368 -21.309 -12.955 1.00 25.33 C ATOM 577 CG ARG A 37 10.004 -21.623 -13.547 1.00 1.44 C ATOM 578 CD ARG A 37 10.104 -22.651 -14.663 1.00 4.13 C ATOM 579 NE ARG A 37 10.234 -24.010 -14.145 1.00 22.22 N ATOM 580 CZ ARG A 37 10.582 -25.052 -14.893 1.00 71.43 C ATOM 581 NH1 ARG A 37 10.834 -24.890 -16.184 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 10.679 -26.258 -14.348 1.00 43.33 N ATOM 0 H ARG A 37 10.310 -21.425 -10.733 1.00 74.25 H new ATOM 0 HA ARG A 37 11.661 -23.322 -12.261 1.00 53.51 H new ATOM 0 HB2 ARG A 37 11.344 -20.311 -12.517 1.00 25.33 H new ATOM 0 HB3 ARG A 37 12.106 -21.287 -13.757 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.344 -21.997 -12.764 1.00 1.44 H new ATOM 0 HG3 ARG A 37 9.554 -20.708 -13.933 1.00 1.44 H new ATOM 0 HD2 ARG A 37 9.218 -22.587 -15.295 1.00 4.13 H new ATOM 0 HD3 ARG A 37 10.963 -22.420 -15.293 1.00 4.13 H new ATOM 0 HE ARG A 37 10.048 -24.168 -13.155 1.00 22.22 H new ATOM 0 HH11 ARG A 37 10.761 -23.964 -16.606 1.00 64.15 H new ATOM 0 HH12 ARG A 37 11.101 -25.691 -16.756 1.00 64.15 H new ATOM 0 HH21 ARG A 37 10.486 -26.386 -13.355 1.00 43.33 H new ATOM 0 HH22 ARG A 37 10.946 -27.057 -14.923 1.00 43.33 H new ATOM 596 N ASN A 38 13.611 -21.397 -10.533 1.00 64.14 N ATOM 597 CA ASN A 38 14.995 -21.146 -10.149 1.00 2.44 C ATOM 598 C ASN A 38 15.650 -22.416 -9.615 1.00 62.25 C ATOM 599 O ASN A 38 16.789 -22.732 -9.959 1.00 62.41 O ATOM 600 CB ASN A 38 15.061 -20.042 -9.092 1.00 14.03 C ATOM 601 CG ASN A 38 14.625 -18.695 -9.636 1.00 30.51 C ATOM 602 OD1 ASN A 38 13.317 -18.488 -9.725 1.00 23.41 O flip ATOM 603 ND2 ASN A 38 15.456 -17.850 -9.971 1.00 43.51 N flip ATOM 0 H ASN A 38 12.918 -20.968 -9.919 1.00 64.14 H new ATOM 0 HA ASN A 38 15.539 -20.823 -11.037 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.427 -20.313 -8.248 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.080 -19.965 -8.713 1.00 14.03 H new ATOM 0 HD21 ASN A 38 16.452 -18.052 -9.885 1.00 43.51 H new ATOM 0 HD22 ASN A 38 15.148 -16.948 -10.334 1.00 43.51 H new ATOM 610 N PHE A 39 14.922 -23.141 -8.772 1.00 74.50 N ATOM 611 CA PHE A 39 15.432 -24.377 -8.189 1.00 13.22 C ATOM 612 C PHE A 39 14.307 -25.387 -7.986 1.00 13.23 C ATOM 613 O PHE A 39 13.934 -25.698 -6.855 1.00 12.23 O ATOM 614 CB PHE A 39 16.122 -24.090 -6.854 1.00 22.33 C ATOM 615 CG PHE A 39 17.387 -23.291 -6.993 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.526 -23.860 -7.538 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.436 -21.969 -6.578 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.690 -23.128 -7.666 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.597 -21.231 -6.704 1.00 73.20 C ATOM 620 CZ PHE A 39 19.726 -21.811 -7.250 1.00 41.30 C ATOM 0 H PHE A 39 13.977 -22.894 -8.477 1.00 74.50 H new ATOM 0 HA PHE A 39 16.159 -24.803 -8.881 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.431 -23.552 -6.205 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.351 -25.035 -6.362 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.504 -24.888 -7.867 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.556 -21.511 -6.151 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.572 -23.585 -8.091 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.622 -20.202 -6.376 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.635 -21.236 -7.351 1.00 41.30 H new ATOM 630 N ASN A 40 13.768 -25.895 -9.090 1.00 5.11 N ATOM 631 CA ASN A 40 12.684 -26.869 -9.033 1.00 31.44 C ATOM 632 C ASN A 40 13.212 -28.248 -8.651 1.00 13.21 C ATOM 633 O ASN A 40 12.719 -28.874 -7.713 1.00 10.21 O ATOM 634 CB ASN A 40 11.965 -26.941 -10.382 1.00 21.11 C ATOM 635 CG ASN A 40 12.930 -27.052 -11.547 1.00 35.33 C ATOM 636 OD1 ASN A 40 13.249 -28.150 -12.001 1.00 34.12 O ATOM 637 ND2 ASN A 40 13.401 -25.910 -12.035 1.00 33.42 N ATOM 0 H ASN A 40 14.064 -25.648 -10.034 1.00 5.11 H new ATOM 0 HA ASN A 40 11.977 -26.546 -8.269 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.293 -27.799 -10.387 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.347 -26.052 -10.509 1.00 21.11 H new ATOM 0 HD21 ASN A 40 14.055 -25.921 -12.818 1.00 33.42 H new ATOM 0 HD22 ASN A 40 13.109 -25.022 -11.627 1.00 33.42 H new ATOM 644 N GLN A 41 14.218 -28.715 -9.384 1.00 42.41 N ATOM 645 CA GLN A 41 14.812 -30.021 -9.122 1.00 32.21 C ATOM 646 C GLN A 41 15.953 -29.907 -8.116 1.00 10.23 C ATOM 647 O GLN A 41 16.701 -30.861 -7.901 1.00 2.54 O ATOM 648 CB GLN A 41 15.322 -30.643 -10.422 1.00 24.30 C ATOM 649 CG GLN A 41 16.345 -29.783 -11.148 1.00 23.03 C ATOM 650 CD GLN A 41 16.953 -30.485 -12.346 1.00 60.23 C ATOM 651 OE1 GLN A 41 16.365 -31.415 -12.899 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.136 -30.043 -12.754 1.00 53.52 N ATOM 0 H GLN A 41 14.638 -28.209 -10.163 1.00 42.41 H new ATOM 0 HA GLN A 41 14.041 -30.665 -8.698 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.767 -31.613 -10.201 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.476 -30.824 -11.085 1.00 24.30 H new ATOM 0 HG2 GLN A 41 15.870 -28.859 -11.476 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.138 -29.505 -10.454 1.00 23.03 H new ATOM 0 HE21 GLN A 41 18.587 -29.269 -12.266 1.00 53.52 H new ATOM 0 HE22 GLN A 41 18.594 -30.477 -13.556 1.00 53.52 H new ATOM 661 N ALA A 42 16.081 -28.735 -7.504 1.00 53.10 N ATOM 662 CA ALA A 42 17.130 -28.497 -6.520 1.00 45.11 C ATOM 663 C ALA A 42 16.574 -28.549 -5.101 1.00 30.22 C ATOM 664 O ALA A 42 17.235 -29.035 -4.184 1.00 53.42 O ATOM 665 CB ALA A 42 17.801 -27.156 -6.777 1.00 52.01 C ATOM 0 H ALA A 42 15.471 -27.935 -7.672 1.00 53.10 H new ATOM 0 HA ALA A 42 17.873 -29.288 -6.620 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.582 -26.992 -6.035 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.242 -27.155 -7.774 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.060 -26.359 -6.707 1.00 52.01 H new ATOM 671 N GLN A 43 15.356 -28.045 -4.929 1.00 44.33 N ATOM 672 CA GLN A 43 14.713 -28.033 -3.620 1.00 63.21 C ATOM 673 C GLN A 43 13.281 -27.517 -3.722 1.00 62.24 C ATOM 674 O GLN A 43 12.949 -26.754 -4.628 1.00 74.55 O ATOM 675 CB GLN A 43 15.511 -27.167 -2.644 1.00 72.12 C ATOM 676 CG GLN A 43 14.932 -27.144 -1.238 1.00 43.55 C ATOM 677 CD GLN A 43 15.937 -26.681 -0.202 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.460 -25.953 0.801 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.129 -26.975 -0.301 1.00 50.05 N flip ATOM 0 H GLN A 43 14.795 -27.640 -5.679 1.00 44.33 H new ATOM 0 HA GLN A 43 14.686 -29.057 -3.247 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.536 -27.534 -2.600 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.554 -26.147 -3.027 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.064 -26.485 -1.217 1.00 43.55 H new ATOM 0 HG3 GLN A 43 14.580 -28.142 -0.977 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.452 -27.537 -1.089 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.793 -26.657 0.405 1.00 50.05 H new ATOM 688 N ASN A 44 12.437 -27.941 -2.787 1.00 61.24 N ATOM 689 CA ASN A 44 11.040 -27.523 -2.773 1.00 5.03 C ATOM 690 C ASN A 44 10.888 -26.156 -2.112 1.00 45.14 C ATOM 691 O ASN A 44 11.874 -25.526 -1.732 1.00 15.42 O ATOM 692 CB ASN A 44 10.184 -28.556 -2.037 1.00 2.54 C ATOM 693 CG ASN A 44 10.618 -28.744 -0.596 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.249 -29.744 -0.251 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.280 -27.782 0.254 1.00 2.43 N ATOM 0 H ASN A 44 12.696 -28.573 -2.030 1.00 61.24 H new ATOM 0 HA ASN A 44 10.699 -27.448 -3.805 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.140 -28.243 -2.062 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.243 -29.511 -2.559 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.543 -27.854 1.237 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.757 -26.971 -0.076 1.00 2.43 H new ATOM 702 N VAL A 45 9.645 -25.705 -1.979 1.00 44.30 N ATOM 703 CA VAL A 45 9.362 -24.414 -1.362 1.00 71.11 C ATOM 704 C VAL A 45 7.862 -24.201 -1.194 1.00 24.13 C ATOM 705 O VAL A 45 7.058 -24.775 -1.929 1.00 24.45 O ATOM 706 CB VAL A 45 9.944 -23.255 -2.195 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.188 -23.108 -3.506 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.907 -21.959 -1.400 1.00 21.34 C ATOM 0 H VAL A 45 8.818 -26.214 -2.290 1.00 44.30 H new ATOM 0 HA VAL A 45 9.836 -24.422 -0.381 1.00 71.11 H new ATOM 0 HB VAL A 45 10.984 -23.483 -2.427 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.613 -22.285 -4.081 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.271 -24.031 -4.079 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.138 -22.902 -3.299 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.321 -21.151 -2.002 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.876 -21.723 -1.136 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.497 -22.073 -0.491 1.00 21.34 H new ATOM 718 N ARG A 46 7.493 -23.373 -0.223 1.00 33.25 N ATOM 719 CA ARG A 46 6.088 -23.084 0.042 1.00 13.25 C ATOM 720 C ARG A 46 5.878 -21.595 0.300 1.00 35.22 C ATOM 721 O ARG A 46 6.349 -21.055 1.301 1.00 45.34 O ATOM 722 CB ARG A 46 5.597 -23.895 1.243 1.00 60.23 C ATOM 723 CG ARG A 46 6.027 -25.352 1.211 1.00 34.50 C ATOM 724 CD ARG A 46 5.002 -26.251 1.886 1.00 54.54 C ATOM 725 NE ARG A 46 3.724 -26.248 1.180 1.00 74.02 N ATOM 726 CZ ARG A 46 3.522 -26.865 0.022 1.00 73.42 C ATOM 727 NH1 ARG A 46 4.510 -27.532 -0.559 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 2.329 -26.817 -0.558 1.00 42.44 N ATOM 0 H ARG A 46 8.147 -22.890 0.393 1.00 33.25 H new ATOM 0 HA ARG A 46 5.512 -23.367 -0.839 1.00 13.25 H new ATOM 0 HB2 ARG A 46 5.970 -23.435 2.158 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.509 -23.847 1.283 1.00 60.23 H new ATOM 0 HG2 ARG A 46 6.166 -25.669 0.177 1.00 34.50 H new ATOM 0 HG3 ARG A 46 6.991 -25.459 1.709 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.388 -27.269 1.933 1.00 54.54 H new ATOM 0 HD3 ARG A 46 4.850 -25.920 2.913 1.00 54.54 H new ATOM 0 HE ARG A 46 2.943 -25.744 1.600 1.00 74.02 H new ATOM 0 HH11 ARG A 46 5.428 -27.572 -0.116 1.00 53.11 H new ATOM 0 HH12 ARG A 46 4.352 -28.005 -1.449 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.566 -26.306 -0.114 1.00 42.44 H new ATOM 0 HH22 ARG A 46 2.175 -27.291 -1.448 1.00 42.44 H new ATOM 742 N VAL A 47 5.169 -20.937 -0.611 1.00 13.15 N ATOM 743 CA VAL A 47 4.895 -19.510 -0.483 1.00 40.55 C ATOM 744 C VAL A 47 3.572 -19.266 0.234 1.00 21.11 C ATOM 745 O VAL A 47 2.607 -20.008 0.047 1.00 40.40 O ATOM 746 CB VAL A 47 4.856 -18.820 -1.859 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.603 -17.328 -1.702 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.150 -19.072 -2.618 1.00 3.11 C ATOM 0 H VAL A 47 4.774 -21.369 -1.446 1.00 13.15 H new ATOM 0 HA VAL A 47 5.707 -19.084 0.106 1.00 40.55 H new ATOM 0 HB VAL A 47 4.034 -19.245 -2.435 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.579 -16.858 -2.685 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.647 -17.172 -1.201 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.401 -16.884 -1.107 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.105 -18.577 -3.588 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.990 -18.676 -2.047 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.284 -20.144 -2.763 1.00 3.11 H new ATOM 758 N ASP A 48 3.534 -18.223 1.055 1.00 31.11 N ATOM 759 CA ASP A 48 2.328 -17.879 1.799 1.00 72.44 C ATOM 760 C ASP A 48 1.921 -16.432 1.537 1.00 70.23 C ATOM 761 O ASP A 48 2.608 -15.498 1.952 1.00 21.40 O ATOM 762 CB ASP A 48 2.548 -18.097 3.297 1.00 33.25 C ATOM 763 CG ASP A 48 1.269 -18.464 4.023 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.393 -19.099 3.398 1.00 23.12 O ATOM 765 OD2 ASP A 48 1.144 -18.118 5.216 1.00 32.52 O1- ATOM 0 H ASP A 48 4.325 -17.601 1.222 1.00 31.11 H new ATOM 0 HA ASP A 48 1.523 -18.531 1.459 1.00 72.44 H new ATOM 0 HB2 ASP A 48 3.284 -18.888 3.442 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.964 -17.190 3.736 1.00 33.25 H new ATOM 770 N LEU A 49 0.801 -16.254 0.845 1.00 24.33 N ATOM 771 CA LEU A 49 0.302 -14.921 0.527 1.00 74.30 C ATOM 772 C LEU A 49 -0.621 -14.407 1.627 1.00 41.23 C ATOM 773 O LEU A 49 -1.421 -15.160 2.180 1.00 13.24 O ATOM 774 CB LEU A 49 -0.440 -14.939 -0.811 1.00 25.14 C ATOM 775 CG LEU A 49 -1.027 -13.604 -1.270 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.278 -13.081 -2.486 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.510 -13.751 -1.578 1.00 21.20 C ATOM 0 H LEU A 49 0.221 -17.016 0.493 1.00 24.33 H new ATOM 0 HA LEU A 49 1.157 -14.248 0.453 1.00 74.30 H new ATOM 0 HB2 LEU A 49 0.246 -15.295 -1.580 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.250 -15.666 -0.745 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.914 -12.882 -0.461 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.710 -12.130 -2.798 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.772 -12.937 -2.232 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.359 -13.801 -3.300 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.911 -12.791 -1.903 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -2.646 -14.488 -2.370 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -3.037 -14.080 -0.682 1.00 21.20 H new ATOM 789 N ASN A 50 -0.505 -13.120 1.937 1.00 2.14 N ATOM 790 CA ASN A 50 -1.331 -12.505 2.969 1.00 51.24 C ATOM 791 C ASN A 50 -2.189 -11.387 2.386 1.00 73.32 C ATOM 792 O ASN A 50 -1.714 -10.269 2.181 1.00 30.13 O ATOM 793 CB ASN A 50 -0.451 -11.955 4.094 1.00 23.52 C ATOM 794 CG ASN A 50 0.033 -13.042 5.034 1.00 61.45 C ATOM 795 OD1 ASN A 50 1.195 -13.446 4.986 1.00 42.53 O ATOM 796 ND2 ASN A 50 -0.858 -13.521 5.894 1.00 44.50 N ATOM 0 H ASN A 50 0.153 -12.483 1.488 1.00 2.14 H new ATOM 0 HA ASN A 50 -1.992 -13.271 3.375 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.409 -11.443 3.662 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.013 -11.212 4.661 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -0.590 -14.254 6.551 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -1.810 -13.156 5.898 1.00 44.50 H new ATOM 803 N ARG A 51 -3.454 -11.695 2.121 1.00 0.13 N ATOM 804 CA ARG A 51 -4.378 -10.717 1.560 1.00 51.01 C ATOM 805 C ARG A 51 -4.701 -9.629 2.580 1.00 31.24 C ATOM 806 O ARG A 51 -5.282 -8.599 2.238 1.00 2.24 O ATOM 807 CB ARG A 51 -5.667 -11.404 1.105 1.00 21.12 C ATOM 808 CG ARG A 51 -6.424 -12.087 2.231 1.00 33.14 C ATOM 809 CD ARG A 51 -7.617 -12.869 1.706 1.00 3.53 C ATOM 810 NE ARG A 51 -7.349 -14.303 1.647 1.00 0.04 N ATOM 811 CZ ARG A 51 -8.301 -15.229 1.610 1.00 72.34 C ATOM 812 NH1 ARG A 51 -9.578 -14.871 1.627 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -7.977 -16.514 1.556 1.00 73.32 N ATOM 0 H ARG A 51 -3.863 -12.615 2.286 1.00 0.13 H new ATOM 0 HA ARG A 51 -3.899 -10.253 0.698 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.317 -10.664 0.638 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.425 -12.143 0.341 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -5.754 -12.760 2.766 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.764 -11.340 2.948 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.480 -12.688 2.347 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -7.878 -12.508 0.711 1.00 3.53 H new ATOM 0 HE ARG A 51 -6.377 -14.611 1.633 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -9.830 -13.884 1.669 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -10.308 -15.583 1.599 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -6.996 -16.792 1.543 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -8.709 -17.224 1.528 1.00 73.32 H new ATOM 827 N GLU A 52 -4.322 -9.866 3.831 1.00 34.15 N ATOM 828 CA GLU A 52 -4.573 -8.906 4.900 1.00 24.22 C ATOM 829 C GLU A 52 -3.727 -7.649 4.713 1.00 0.20 C ATOM 830 O GLU A 52 -4.199 -6.532 4.924 1.00 22.35 O ATOM 831 CB GLU A 52 -4.276 -9.536 6.262 1.00 52.12 C ATOM 832 CG GLU A 52 -2.870 -10.100 6.378 1.00 75.31 C ATOM 833 CD GLU A 52 -2.612 -10.753 7.722 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.593 -11.037 8.441 1.00 11.41 O ATOM 835 OE2 GLU A 52 -1.430 -10.979 8.056 1.00 52.33 O1- ATOM 0 H GLU A 52 -3.840 -10.714 4.130 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.625 -8.624 4.860 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.423 -8.786 7.039 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -4.995 -10.334 6.448 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.710 -10.832 5.586 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.147 -9.299 6.223 1.00 75.31 H new ATOM 842 N THR A 53 -2.473 -7.841 4.316 1.00 23.40 N ATOM 843 CA THR A 53 -1.560 -6.725 4.102 1.00 34.31 C ATOM 844 C THR A 53 -0.942 -6.780 2.709 1.00 54.44 C ATOM 845 O THR A 53 0.053 -6.110 2.435 1.00 31.00 O ATOM 846 CB THR A 53 -0.433 -6.713 5.151 1.00 73.11 C ATOM 847 OG1 THR A 53 0.420 -5.582 4.941 1.00 13.41 O ATOM 848 CG2 THR A 53 0.387 -7.992 5.080 1.00 32.42 C ATOM 0 H THR A 53 -2.066 -8.759 4.136 1.00 23.40 H new ATOM 0 HA THR A 53 -2.147 -5.812 4.200 1.00 34.31 H new ATOM 0 HB THR A 53 -0.888 -6.646 6.139 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.554 -5.448 3.980 1.00 13.41 H new ATOM 0 HG21 THR A 53 1.177 -7.960 5.830 1.00 32.42 H new ATOM 0 HG22 THR A 53 -0.259 -8.849 5.269 1.00 32.42 H new ATOM 0 HG23 THR A 53 0.832 -8.085 4.089 1.00 32.42 H new ATOM 856 N GLY A 54 -1.540 -7.582 1.833 1.00 23.41 N ATOM 857 CA GLY A 54 -1.034 -7.708 0.478 1.00 44.31 C ATOM 858 C GLY A 54 0.444 -8.043 0.440 1.00 5.13 C ATOM 859 O GLY A 54 1.137 -7.720 -0.525 1.00 74.51 O ATOM 0 H GLY A 54 -2.365 -8.146 2.037 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.593 -8.484 -0.045 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.206 -6.775 -0.059 1.00 44.31 H new ATOM 863 N SER A 55 0.929 -8.693 1.494 1.00 33.40 N ATOM 864 CA SER A 55 2.336 -9.067 1.580 1.00 75.11 C ATOM 865 C SER A 55 2.541 -10.512 1.136 1.00 63.23 C ATOM 866 O SER A 55 1.578 -11.244 0.902 1.00 45.55 O ATOM 867 CB SER A 55 2.848 -8.884 3.010 1.00 55.25 C ATOM 868 OG SER A 55 4.256 -8.729 3.031 1.00 71.01 O ATOM 0 H SER A 55 0.369 -8.971 2.300 1.00 33.40 H new ATOM 0 HA SER A 55 2.901 -8.416 0.913 1.00 75.11 H new ATOM 0 HB2 SER A 55 2.376 -8.010 3.460 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.565 -9.746 3.614 1.00 55.25 H new ATOM 0 HG SER A 55 4.558 -8.612 3.956 1.00 71.01 H new ATOM 874 N ILE A 56 3.802 -10.916 1.021 1.00 3.53 N ATOM 875 CA ILE A 56 4.134 -12.273 0.606 1.00 74.13 C ATOM 876 C ILE A 56 5.455 -12.727 1.218 1.00 0.40 C ATOM 877 O ILE A 56 6.375 -11.928 1.397 1.00 42.33 O ATOM 878 CB ILE A 56 4.225 -12.387 -0.927 1.00 73.52 C ATOM 879 CG1 ILE A 56 4.049 -13.843 -1.363 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.555 -11.837 -1.421 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.617 -14.207 -1.689 1.00 3.04 C ATOM 0 H ILE A 56 4.610 -10.323 1.209 1.00 3.53 H new ATOM 0 HA ILE A 56 3.330 -12.917 0.962 1.00 74.13 H new ATOM 0 HB ILE A 56 3.423 -11.796 -1.369 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.671 -14.029 -2.238 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.410 -14.498 -0.570 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.604 -11.925 -2.506 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.643 -10.788 -1.137 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.372 -12.404 -0.974 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.567 -15.253 -1.990 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.993 -14.053 -0.809 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.258 -13.577 -2.503 1.00 3.04 H new ATOM 893 N ARG A 57 5.544 -14.015 1.534 1.00 32.14 N ATOM 894 CA ARG A 57 6.753 -14.576 2.124 1.00 64.45 C ATOM 895 C ARG A 57 7.003 -15.990 1.611 1.00 32.01 C ATOM 896 O ARG A 57 6.114 -16.842 1.647 1.00 32.22 O ATOM 897 CB ARG A 57 6.643 -14.587 3.650 1.00 61.04 C ATOM 898 CG ARG A 57 6.603 -13.199 4.268 1.00 70.51 C ATOM 899 CD ARG A 57 7.991 -12.583 4.344 1.00 15.33 C ATOM 900 NE ARG A 57 8.033 -11.439 5.250 1.00 71.31 N ATOM 901 CZ ARG A 57 9.151 -10.802 5.579 1.00 72.11 C ATOM 902 NH1 ARG A 57 10.314 -11.196 5.077 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 9.109 -9.768 6.410 1.00 34.43 N ATOM 0 H ARG A 57 4.793 -14.690 1.391 1.00 32.14 H new ATOM 0 HA ARG A 57 7.595 -13.948 1.832 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.742 -15.129 3.937 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.490 -15.135 4.063 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.950 -12.556 3.678 1.00 70.51 H new ATOM 0 HG3 ARG A 57 6.174 -13.257 5.268 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.704 -13.336 4.678 1.00 15.33 H new ATOM 0 HD3 ARG A 57 8.303 -12.268 3.348 1.00 15.33 H new ATOM 0 HE ARG A 57 7.155 -11.111 5.653 1.00 71.31 H new ATOM 0 HH11 ARG A 57 10.351 -11.989 4.437 1.00 34.40 H new ATOM 0 HH12 ARG A 57 11.171 -10.705 5.331 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.217 -9.461 6.797 1.00 34.43 H new ATOM 0 HH22 ARG A 57 9.969 -9.280 6.661 1.00 34.43 H new ATOM 917 N VAL A 58 8.219 -16.235 1.132 1.00 42.34 N ATOM 918 CA VAL A 58 8.587 -17.546 0.612 1.00 43.54 C ATOM 919 C VAL A 58 9.472 -18.300 1.597 1.00 10.15 C ATOM 920 O VAL A 58 10.528 -17.810 2.000 1.00 73.04 O ATOM 921 CB VAL A 58 9.322 -17.429 -0.737 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.477 -18.797 -1.381 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.585 -16.474 -1.664 1.00 4.35 C ATOM 0 H VAL A 58 8.966 -15.542 1.094 1.00 42.34 H new ATOM 0 HA VAL A 58 7.660 -18.099 0.465 1.00 43.54 H new ATOM 0 HB VAL A 58 10.318 -17.025 -0.555 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.998 -18.694 -2.333 1.00 55.51 H new ATOM 0 HG12 VAL A 58 10.052 -19.447 -0.721 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.492 -19.232 -1.552 1.00 55.51 H new ATOM 0 HG21 VAL A 58 9.118 -16.403 -2.612 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.576 -16.846 -1.842 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.532 -15.488 -1.203 1.00 4.35 H new ATOM 933 N PHE A 59 9.036 -19.494 1.982 1.00 1.31 N ATOM 934 CA PHE A 59 9.789 -20.317 2.922 1.00 44.44 C ATOM 935 C PHE A 59 10.074 -21.695 2.331 1.00 1.24 C ATOM 936 O PHE A 59 9.232 -22.274 1.646 1.00 3.23 O ATOM 937 CB PHE A 59 9.020 -20.462 4.236 1.00 43.13 C ATOM 938 CG PHE A 59 8.661 -19.148 4.869 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.590 -18.450 5.623 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.394 -18.609 4.708 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.262 -17.241 6.207 1.00 33.32 C ATOM 942 CE2 PHE A 59 7.061 -17.400 5.289 1.00 52.11 C ATOM 943 CZ PHE A 59 7.996 -16.715 6.038 1.00 33.22 C ATOM 0 H PHE A 59 8.165 -19.914 1.658 1.00 1.31 H new ATOM 0 HA PHE A 59 10.740 -19.822 3.119 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.107 -21.029 4.053 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.620 -21.042 4.937 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.582 -18.855 5.756 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.659 -19.140 4.122 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.995 -16.708 6.795 1.00 33.32 H new ATOM 0 HE2 PHE A 59 6.070 -16.992 5.157 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.738 -15.769 6.491 1.00 33.22 H new ATOM 953 N ALA A 60 11.267 -22.214 2.603 1.00 64.33 N ATOM 954 CA ALA A 60 11.663 -23.524 2.101 1.00 61.55 C ATOM 955 C ALA A 60 11.408 -24.610 3.140 1.00 45.11 C ATOM 956 O ALA A 60 11.739 -24.448 4.315 1.00 31.21 O ATOM 957 CB ALA A 60 13.129 -23.512 1.695 1.00 21.41 C ATOM 0 H ALA A 60 11.976 -21.747 3.168 1.00 64.33 H new ATOM 0 HA ALA A 60 11.056 -23.748 1.224 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.411 -24.497 1.322 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.284 -22.769 0.912 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.744 -23.261 2.559 1.00 21.41 H new ATOM 963 N ARG A 61 10.818 -25.717 2.700 1.00 41.23 N ATOM 964 CA ARG A 61 10.518 -26.829 3.594 1.00 72.14 C ATOM 965 C ARG A 61 11.587 -27.913 3.491 1.00 20.13 C ATOM 966 O ARG A 61 11.767 -28.525 2.438 1.00 1.01 O ATOM 967 CB ARG A 61 9.145 -27.419 3.265 1.00 64.24 C ATOM 968 CG ARG A 61 8.365 -27.867 4.490 1.00 32.03 C ATOM 969 CD ARG A 61 6.983 -28.378 4.114 1.00 70.43 C ATOM 970 NE ARG A 61 7.048 -29.457 3.131 1.00 4.21 N ATOM 971 CZ ARG A 61 5.982 -30.122 2.700 1.00 31.53 C ATOM 972 NH1 ARG A 61 4.776 -29.821 3.162 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 6.121 -31.091 1.803 1.00 24.30 N ATOM 0 H ARG A 61 10.539 -25.867 1.731 1.00 41.23 H new ATOM 0 HA ARG A 61 10.508 -26.449 4.616 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.560 -26.675 2.724 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.275 -28.270 2.597 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.916 -28.653 5.007 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.269 -27.034 5.186 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.472 -28.733 5.009 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.390 -27.557 3.712 1.00 70.43 H new ATOM 0 HE ARG A 61 7.961 -29.713 2.756 1.00 4.21 H new ATOM 0 HH11 ARG A 61 4.665 -29.077 3.851 1.00 71.04 H new ATOM 0 HH12 ARG A 61 3.960 -30.334 2.829 1.00 71.04 H new ATOM 0 HH21 ARG A 61 7.047 -31.325 1.444 1.00 24.30 H new ATOM 0 HH22 ARG A 61 5.302 -31.601 1.472 1.00 24.30 H new ATOM 987 N LYS A 62 12.294 -28.145 4.591 1.00 10.33 N ATOM 988 CA LYS A 62 13.345 -29.155 4.627 1.00 21.43 C ATOM 989 C LYS A 62 12.947 -30.324 5.522 1.00 75.40 C ATOM 990 O LYS A 62 12.209 -30.151 6.493 1.00 2.42 O ATOM 991 CB LYS A 62 14.655 -28.540 5.126 1.00 43.22 C ATOM 992 CG LYS A 62 15.510 -27.949 4.018 1.00 41.54 C ATOM 993 CD LYS A 62 16.471 -26.902 4.555 1.00 43.23 C ATOM 994 CE LYS A 62 17.642 -26.683 3.609 1.00 43.44 C ATOM 995 NZ LYS A 62 18.894 -26.350 4.343 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.158 -27.647 5.471 1.00 10.33 H new ATOM 0 HA LYS A 62 13.489 -29.529 3.613 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.427 -27.760 5.853 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.230 -29.305 5.649 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.073 -28.744 3.528 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.867 -27.500 3.261 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.940 -25.961 4.703 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.843 -27.215 5.531 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.799 -27.581 3.012 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.403 -25.877 2.915 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.668 -26.208 3.663 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.753 -25.479 4.893 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 19.137 -27.130 4.986 1.00 24.24 H new ATOM 1009 N ASP A 63 13.440 -31.512 5.191 1.00 23.54 N ATOM 1010 CA ASP A 63 13.137 -32.709 5.967 1.00 42.41 C ATOM 1011 C ASP A 63 14.069 -32.829 7.168 1.00 73.33 C ATOM 1012 O ASP A 63 15.266 -33.075 7.016 1.00 62.32 O ATOM 1013 CB ASP A 63 13.254 -33.956 5.088 1.00 73.01 C ATOM 1014 CG ASP A 63 11.924 -34.657 4.898 1.00 64.14 C ATOM 1015 OD1 ASP A 63 10.886 -33.962 4.866 1.00 60.22 O1- ATOM 1016 OD2 ASP A 63 11.919 -35.901 4.781 1.00 40.11 O ATOM 0 H ASP A 63 14.051 -31.672 4.390 1.00 23.54 H new ATOM 0 HA ASP A 63 12.113 -32.626 6.332 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.655 -33.674 4.114 1.00 73.01 H new ATOM 0 HB3 ASP A 63 13.965 -34.649 5.538 1.00 73.01 H new ATOM 1021 N VAL A 64 13.514 -32.651 8.362 1.00 22.25 N ATOM 1022 CA VAL A 64 14.295 -32.739 9.590 1.00 63.30 C ATOM 1023 C VAL A 64 14.704 -34.179 9.880 1.00 51.12 C ATOM 1024 O VAL A 64 13.858 -35.035 10.139 1.00 75.14 O ATOM 1025 CB VAL A 64 13.512 -32.187 10.795 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.360 -32.245 12.056 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.046 -30.765 10.521 1.00 14.04 C ATOM 0 H VAL A 64 12.525 -32.445 8.505 1.00 22.25 H new ATOM 0 HA VAL A 64 15.189 -32.134 9.439 1.00 63.30 H new ATOM 0 HB VAL A 64 12.631 -32.810 10.950 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.789 -31.851 12.897 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.639 -33.279 12.260 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.261 -31.647 11.917 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.494 -30.390 11.383 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.911 -30.127 10.339 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.398 -30.757 9.644 1.00 14.04 H new ATOM 1037 N VAL A 65 16.006 -34.440 9.835 1.00 11.54 N ATOM 1038 CA VAL A 65 16.528 -35.776 10.094 1.00 13.21 C ATOM 1039 C VAL A 65 17.844 -35.713 10.861 1.00 31.21 C ATOM 1040 O VAL A 65 18.634 -34.785 10.683 1.00 25.11 O ATOM 1041 CB VAL A 65 16.746 -36.558 8.785 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.417 -36.822 8.094 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.693 -35.802 7.866 1.00 31.51 C ATOM 0 H VAL A 65 16.719 -33.743 9.621 1.00 11.54 H new ATOM 0 HA VAL A 65 15.783 -36.295 10.698 1.00 13.21 H new ATOM 0 HB VAL A 65 17.200 -37.519 9.026 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.590 -37.375 7.171 1.00 54.12 H new ATOM 0 HG12 VAL A 65 14.774 -37.407 8.752 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.932 -35.873 7.863 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.836 -36.368 6.946 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.269 -34.826 7.629 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.654 -35.669 8.363 1.00 31.51 H new ATOM 1053 N ASP A 66 18.075 -36.706 11.712 1.00 62.52 N ATOM 1054 CA ASP A 66 19.297 -36.765 12.505 1.00 23.33 C ATOM 1055 C ASP A 66 20.530 -36.645 11.614 1.00 21.04 C ATOM 1056 O ASP A 66 21.544 -36.076 12.016 1.00 0.24 O ATOM 1057 CB ASP A 66 19.353 -38.071 13.300 1.00 11.32 C ATOM 1058 CG ASP A 66 20.239 -37.966 14.525 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.254 -37.242 14.462 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 19.919 -38.610 15.546 1.00 32.13 O ATOM 0 H ASP A 66 17.432 -37.482 11.871 1.00 62.52 H new ATOM 0 HA ASP A 66 19.290 -35.925 13.200 1.00 23.33 H new ATOM 0 HB2 ASP A 66 18.345 -38.349 13.607 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.722 -38.869 12.656 1.00 11.32 H new ATOM 1065 N GLU A 67 20.433 -37.185 10.403 1.00 15.03 N ATOM 1066 CA GLU A 67 21.541 -37.139 9.457 1.00 31.11 C ATOM 1067 C GLU A 67 21.037 -36.873 8.041 1.00 50.23 C ATOM 1068 O GLU A 67 20.053 -37.466 7.599 1.00 63.43 O ATOM 1069 CB GLU A 67 22.326 -38.452 9.492 1.00 55.42 C ATOM 1070 CG GLU A 67 23.178 -38.619 10.738 1.00 72.25 C ATOM 1071 CD GLU A 67 23.855 -39.974 10.805 1.00 31.21 C ATOM 1072 OE1 GLU A 67 24.522 -40.355 9.820 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 23.718 -40.654 11.844 1.00 71.05 O ATOM 0 H GLU A 67 19.600 -37.659 10.055 1.00 15.03 H new ATOM 0 HA GLU A 67 22.200 -36.322 9.749 1.00 31.11 H new ATOM 0 HB2 GLU A 67 21.627 -39.285 9.426 1.00 55.42 H new ATOM 0 HB3 GLU A 67 22.969 -38.505 8.613 1.00 55.42 H new ATOM 0 HG2 GLU A 67 23.936 -37.837 10.762 1.00 72.25 H new ATOM 0 HG3 GLU A 67 22.553 -38.485 11.621 1.00 72.25 H new ATOM 1080 N VAL A 68 21.719 -35.976 7.336 1.00 15.43 N ATOM 1081 CA VAL A 68 21.341 -35.630 5.970 1.00 65.11 C ATOM 1082 C VAL A 68 21.186 -36.879 5.110 1.00 4.00 C ATOM 1083 O VAL A 68 22.137 -37.639 4.923 1.00 42.11 O ATOM 1084 CB VAL A 68 22.381 -34.698 5.320 1.00 61.52 C ATOM 1085 CG1 VAL A 68 22.002 -34.400 3.877 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.517 -33.412 6.120 1.00 63.52 C ATOM 0 H VAL A 68 22.536 -35.476 7.687 1.00 15.43 H new ATOM 0 HA VAL A 68 20.384 -35.111 6.027 1.00 65.11 H new ATOM 0 HB VAL A 68 23.347 -35.203 5.320 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.748 -33.740 3.434 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.960 -35.331 3.312 1.00 71.34 H new ATOM 0 HG13 VAL A 68 21.026 -33.915 3.850 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.256 -32.765 5.647 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.555 -32.901 6.153 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.838 -33.647 7.135 1.00 63.52 H new ATOM 1096 N TYR A 69 19.982 -37.086 4.589 1.00 32.10 N ATOM 1097 CA TYR A 69 19.701 -38.244 3.750 1.00 32.14 C ATOM 1098 C TYR A 69 19.337 -37.814 2.332 1.00 61.22 C ATOM 1099 O TYR A 69 19.513 -38.571 1.377 1.00 10.20 O ATOM 1100 CB TYR A 69 18.564 -39.073 4.351 1.00 62.24 C ATOM 1101 CG TYR A 69 18.840 -39.546 5.760 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.998 -40.253 6.062 1.00 73.44 C ATOM 1103 CD2 TYR A 69 17.943 -39.288 6.789 1.00 23.33 C ATOM 1104 CE1 TYR A 69 20.254 -40.688 7.348 1.00 1.01 C ATOM 1105 CE2 TYR A 69 18.192 -39.718 8.078 1.00 60.10 C ATOM 1106 CZ TYR A 69 19.349 -40.418 8.353 1.00 34.24 C ATOM 1107 OH TYR A 69 19.599 -40.850 9.635 1.00 60.13 O ATOM 0 H TYR A 69 19.185 -36.466 4.733 1.00 32.10 H new ATOM 0 HA TYR A 69 20.603 -38.855 3.705 1.00 32.14 H new ATOM 0 HB2 TYR A 69 17.651 -38.478 4.349 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.381 -39.939 3.715 1.00 62.24 H new ATOM 0 HD1 TYR A 69 20.710 -40.466 5.278 1.00 73.44 H new ATOM 0 HD2 TYR A 69 17.036 -38.742 6.578 1.00 23.33 H new ATOM 0 HE1 TYR A 69 21.158 -41.237 7.565 1.00 1.01 H new ATOM 0 HE2 TYR A 69 17.485 -39.507 8.867 1.00 60.10 H new ATOM 0 HH TYR A 69 18.863 -40.576 10.222 1.00 60.13 H new ATOM 1117 N ASP A 70 18.829 -36.594 2.203 1.00 20.02 N ATOM 1118 CA ASP A 70 18.441 -36.060 0.902 1.00 33.31 C ATOM 1119 C ASP A 70 19.338 -34.892 0.505 1.00 24.14 C ATOM 1120 O ASP A 70 19.134 -33.763 0.949 1.00 24.10 O ATOM 1121 CB ASP A 70 16.979 -35.612 0.927 1.00 13.03 C ATOM 1122 CG ASP A 70 16.028 -36.714 0.503 1.00 63.42 C ATOM 1123 OD1 ASP A 70 16.381 -37.481 -0.417 1.00 60.34 O ATOM 1124 OD2 ASP A 70 14.931 -36.809 1.091 1.00 62.25 O1- ATOM 0 H ASP A 70 18.676 -35.955 2.983 1.00 20.02 H new ATOM 0 HA ASP A 70 18.557 -36.852 0.162 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.721 -35.280 1.933 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.854 -34.754 0.267 1.00 13.03 H new ATOM 1129 N GLN A 71 20.330 -35.173 -0.334 1.00 45.13 N ATOM 1130 CA GLN A 71 21.258 -34.145 -0.789 1.00 73.34 C ATOM 1131 C GLN A 71 20.513 -33.000 -1.467 1.00 44.25 C ATOM 1132 O GLN A 71 21.011 -31.876 -1.532 1.00 55.10 O ATOM 1133 CB GLN A 71 22.282 -34.745 -1.755 1.00 71.25 C ATOM 1134 CG GLN A 71 23.220 -35.747 -1.101 1.00 52.44 C ATOM 1135 CD GLN A 71 24.362 -35.080 -0.360 1.00 44.52 C ATOM 1136 OE1 GLN A 71 24.163 -34.096 0.354 1.00 34.54 O ATOM 1137 NE2 GLN A 71 25.567 -35.613 -0.524 1.00 51.40 N ATOM 0 H GLN A 71 20.511 -36.103 -0.712 1.00 45.13 H new ATOM 0 HA GLN A 71 21.779 -33.749 0.083 1.00 73.34 H new ATOM 0 HB2 GLN A 71 21.754 -35.234 -2.573 1.00 71.25 H new ATOM 0 HB3 GLN A 71 22.872 -33.940 -2.193 1.00 71.25 H new ATOM 0 HG2 GLN A 71 22.655 -36.368 -0.406 1.00 52.44 H new ATOM 0 HG3 GLN A 71 23.626 -36.411 -1.864 1.00 52.44 H new ATOM 0 HE21 GLN A 71 25.686 -36.428 -1.125 1.00 51.40 H new ATOM 0 HE22 GLN A 71 26.373 -35.207 -0.049 1.00 51.40 H new ATOM 1146 N ARG A 72 19.319 -33.294 -1.970 1.00 4.45 N ATOM 1147 CA ARG A 72 18.506 -32.288 -2.645 1.00 31.14 C ATOM 1148 C ARG A 72 17.989 -31.252 -1.652 1.00 3.13 C ATOM 1149 O ARG A 72 18.005 -30.051 -1.926 1.00 25.45 O ATOM 1150 CB ARG A 72 17.330 -32.952 -3.364 1.00 14.31 C ATOM 1151 CG ARG A 72 16.441 -33.776 -2.448 1.00 43.23 C ATOM 1152 CD ARG A 72 15.380 -34.531 -3.232 1.00 44.31 C ATOM 1153 NE ARG A 72 14.527 -35.337 -2.363 1.00 31.03 N ATOM 1154 CZ ARG A 72 13.600 -36.175 -2.814 1.00 1.35 C ATOM 1155 NH1 ARG A 72 13.408 -36.315 -4.119 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 12.863 -36.874 -1.961 1.00 72.31 N ATOM 0 H ARG A 72 18.893 -34.219 -1.923 1.00 4.45 H new ATOM 0 HA ARG A 72 19.133 -31.782 -3.379 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.727 -32.181 -3.844 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.715 -33.594 -4.156 1.00 14.31 H new ATOM 0 HG2 ARG A 72 17.052 -34.483 -1.886 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.961 -33.122 -1.721 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.765 -33.822 -3.786 1.00 44.31 H new ATOM 0 HD3 ARG A 72 15.862 -35.176 -3.966 1.00 44.31 H new ATOM 0 HE ARG A 72 14.650 -35.252 -1.354 1.00 31.03 H new ATOM 0 HH11 ARG A 72 13.973 -35.779 -4.778 1.00 20.14 H new ATOM 0 HH12 ARG A 72 12.696 -36.959 -4.464 1.00 20.14 H new ATOM 0 HH21 ARG A 72 13.007 -36.769 -0.957 1.00 72.31 H new ATOM 0 HH22 ARG A 72 12.152 -37.517 -2.309 1.00 72.31 H new ATOM 1170 N LEU A 73 17.530 -31.723 -0.497 1.00 3.20 N ATOM 1171 CA LEU A 73 17.008 -30.838 0.537 1.00 51.45 C ATOM 1172 C LEU A 73 16.848 -31.580 1.860 1.00 42.22 C ATOM 1173 O LEU A 73 16.132 -32.578 1.940 1.00 32.31 O ATOM 1174 CB LEU A 73 15.663 -30.251 0.103 1.00 24.54 C ATOM 1175 CG LEU A 73 14.502 -31.240 -0.001 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.543 -31.063 1.166 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.772 -31.067 -1.325 1.00 14.14 C ATOM 0 H LEU A 73 17.509 -32.713 -0.254 1.00 3.20 H new ATOM 0 HA LEU A 73 17.722 -30.027 0.680 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.386 -29.469 0.810 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.794 -29.772 -0.867 1.00 24.54 H new ATOM 0 HG LEU A 73 14.907 -32.251 0.039 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.723 -31.776 1.075 1.00 70.54 H new ATOM 0 HD12 LEU A 73 14.073 -31.238 2.102 1.00 70.54 H new ATOM 0 HD13 LEU A 73 13.144 -30.049 1.159 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.949 -31.779 -1.382 1.00 14.14 H new ATOM 0 HD22 LEU A 73 13.380 -30.052 -1.394 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.464 -31.246 -2.148 1.00 14.14 H new ATOM 1189 N GLU A 74 17.518 -31.085 2.896 1.00 52.14 N ATOM 1190 CA GLU A 74 17.449 -31.701 4.215 1.00 53.33 C ATOM 1191 C GLU A 74 17.967 -30.749 5.289 1.00 31.14 C ATOM 1192 O GLU A 74 18.727 -29.824 4.999 1.00 54.40 O ATOM 1193 CB GLU A 74 18.255 -33.001 4.239 1.00 34.50 C ATOM 1194 CG GLU A 74 17.706 -34.042 5.199 1.00 5.55 C ATOM 1195 CD GLU A 74 16.623 -34.900 4.573 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.806 -34.354 3.802 1.00 53.23 O ATOM 1197 OE2 GLU A 74 16.592 -36.116 4.855 1.00 54.12 O1- ATOM 0 H GLU A 74 18.115 -30.259 2.847 1.00 52.14 H new ATOM 0 HA GLU A 74 16.404 -31.926 4.427 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.278 -33.423 3.234 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.285 -32.774 4.513 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.520 -34.682 5.539 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.304 -33.542 6.080 1.00 5.55 H new ATOM 1204 N ILE A 75 17.550 -30.981 6.529 1.00 62.14 N ATOM 1205 CA ILE A 75 17.972 -30.145 7.646 1.00 30.31 C ATOM 1206 C ILE A 75 18.275 -30.988 8.880 1.00 75.04 C ATOM 1207 O ILE A 75 17.446 -31.785 9.318 1.00 14.04 O ATOM 1208 CB ILE A 75 16.900 -29.099 8.003 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.326 -28.299 9.236 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.559 -29.776 8.242 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.119 -26.808 9.090 1.00 31.35 C ATOM 0 H ILE A 75 16.920 -31.741 6.786 1.00 62.14 H new ATOM 0 HA ILE A 75 18.879 -29.630 7.329 1.00 30.31 H new ATOM 0 HB ILE A 75 16.793 -28.410 7.165 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.764 -28.653 10.100 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.379 -28.493 9.439 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.811 -29.024 8.493 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.252 -30.305 7.340 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.651 -30.485 9.065 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.442 -26.305 10.001 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.703 -26.441 8.246 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.063 -26.603 8.918 1.00 31.35 H new ATOM 1223 N SER A 76 19.468 -30.804 9.437 1.00 72.03 N ATOM 1224 CA SER A 76 19.882 -31.549 10.620 1.00 2.32 C ATOM 1225 C SER A 76 19.031 -31.167 11.828 1.00 11.44 C ATOM 1226 O SER A 76 18.731 -29.992 12.042 1.00 13.53 O ATOM 1227 CB SER A 76 21.359 -31.290 10.921 1.00 63.42 C ATOM 1228 OG SER A 76 21.941 -32.389 11.601 1.00 63.00 O ATOM 0 H SER A 76 20.164 -30.146 9.088 1.00 72.03 H new ATOM 0 HA SER A 76 19.740 -32.611 10.418 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.897 -31.108 9.990 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.457 -30.390 11.527 1.00 63.42 H new ATOM 0 HG SER A 76 22.886 -32.200 11.780 1.00 63.00 H new ATOM 1234 N ILE A 77 18.646 -32.167 12.613 1.00 32.21 N ATOM 1235 CA ILE A 77 17.832 -31.937 13.799 1.00 42.24 C ATOM 1236 C ILE A 77 18.438 -30.850 14.680 1.00 3.30 C ATOM 1237 O ILE A 77 17.719 -30.056 15.286 1.00 62.34 O ATOM 1238 CB ILE A 77 17.670 -33.224 14.630 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.774 -32.965 15.843 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.030 -33.744 15.070 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.351 -32.603 15.477 1.00 2.10 C ATOM 0 H ILE A 77 18.885 -33.145 12.449 1.00 32.21 H new ATOM 0 HA ILE A 77 16.851 -31.614 13.450 1.00 42.24 H new ATOM 0 HB ILE A 77 17.196 -33.984 14.008 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.763 -33.854 16.473 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.204 -32.159 16.437 1.00 61.14 H new ATOM 0 HG21 ILE A 77 18.899 -34.654 15.656 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.638 -33.962 14.192 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.529 -32.989 15.678 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.774 -32.433 16.386 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.350 -31.696 14.872 1.00 2.10 H new ATOM 0 HD13 ILE A 77 14.903 -33.418 14.909 1.00 2.10 H new ATOM 1253 N GLU A 78 19.765 -30.820 14.744 1.00 30.11 N ATOM 1254 CA GLU A 78 20.468 -29.829 15.551 1.00 0.34 C ATOM 1255 C GLU A 78 20.385 -28.447 14.908 1.00 42.21 C ATOM 1256 O GLU A 78 20.333 -27.432 15.601 1.00 45.21 O ATOM 1257 CB GLU A 78 21.933 -30.232 15.732 1.00 12.10 C ATOM 1258 CG GLU A 78 22.695 -30.362 14.423 1.00 52.02 C ATOM 1259 CD GLU A 78 24.124 -30.828 14.624 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.488 -31.148 15.775 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 24.878 -30.872 13.630 1.00 44.14 O ATOM 0 H GLU A 78 20.375 -31.470 14.247 1.00 30.11 H new ATOM 0 HA GLU A 78 19.987 -29.786 16.528 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.430 -29.492 16.360 1.00 12.10 H new ATOM 0 HB3 GLU A 78 21.977 -31.182 16.264 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.175 -31.066 13.773 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.699 -29.399 13.912 1.00 52.02 H new ATOM 1268 N GLU A 79 20.375 -28.418 13.579 1.00 34.12 N ATOM 1269 CA GLU A 79 20.300 -27.162 12.843 1.00 41.22 C ATOM 1270 C GLU A 79 18.968 -26.461 13.097 1.00 73.11 C ATOM 1271 O GLU A 79 18.928 -25.263 13.375 1.00 3.25 O ATOM 1272 CB GLU A 79 20.481 -27.411 11.345 1.00 40.51 C ATOM 1273 CG GLU A 79 20.499 -26.139 10.514 1.00 71.40 C ATOM 1274 CD GLU A 79 21.889 -25.549 10.380 1.00 23.32 C ATOM 1275 OE1 GLU A 79 22.512 -25.253 11.422 1.00 73.13 O1- ATOM 1276 OE2 GLU A 79 22.355 -25.383 9.233 1.00 25.22 O ATOM 0 H GLU A 79 20.418 -29.250 12.990 1.00 34.12 H new ATOM 0 HA GLU A 79 21.104 -26.516 13.195 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.413 -27.952 11.185 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.675 -28.054 10.992 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.102 -26.352 9.522 1.00 71.40 H new ATOM 0 HG3 GLU A 79 19.838 -25.402 10.970 1.00 71.40 H new ATOM 1283 N ALA A 80 17.880 -27.218 12.998 1.00 23.40 N ATOM 1284 CA ALA A 80 16.547 -26.672 13.217 1.00 41.12 C ATOM 1285 C ALA A 80 16.401 -26.133 14.636 1.00 13.05 C ATOM 1286 O ALA A 80 15.641 -25.196 14.878 1.00 13.31 O ATOM 1287 CB ALA A 80 15.490 -27.732 12.942 1.00 63.34 C ATOM 0 H ALA A 80 17.896 -28.211 12.767 1.00 23.40 H new ATOM 0 HA ALA A 80 16.403 -25.843 12.524 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.499 -27.310 13.110 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.571 -28.067 11.908 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.641 -28.579 13.611 1.00 63.34 H new ATOM 1293 N GLN A 81 17.134 -26.731 15.570 1.00 53.33 N ATOM 1294 CA GLN A 81 17.084 -26.311 16.965 1.00 55.10 C ATOM 1295 C GLN A 81 17.671 -24.914 17.134 1.00 65.05 C ATOM 1296 O GLN A 81 17.321 -24.191 18.066 1.00 13.14 O ATOM 1297 CB GLN A 81 17.842 -27.305 17.846 1.00 55.14 C ATOM 1298 CG GLN A 81 17.266 -28.712 17.811 1.00 15.04 C ATOM 1299 CD GLN A 81 16.477 -29.051 19.060 1.00 74.24 C ATOM 1300 OE1 GLN A 81 16.778 -28.563 20.150 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.459 -29.890 18.908 1.00 12.11 N ATOM 0 H GLN A 81 17.769 -27.508 15.386 1.00 53.33 H new ATOM 0 HA GLN A 81 16.039 -26.286 17.273 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.884 -27.340 17.527 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.836 -26.944 18.875 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.620 -28.814 16.939 1.00 15.04 H new ATOM 0 HG3 GLN A 81 18.078 -29.430 17.693 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.245 -30.271 17.986 1.00 12.11 H new ATOM 0 HE22 GLN A 81 14.891 -30.154 19.713 1.00 12.11 H new ATOM 1310 N GLY A 82 18.567 -24.539 16.226 1.00 10.33 N ATOM 1311 CA GLY A 82 19.188 -23.230 16.292 1.00 0.41 C ATOM 1312 C GLY A 82 18.174 -22.104 16.260 1.00 3.45 C ATOM 1313 O GLY A 82 18.382 -21.054 16.868 1.00 20.11 O ATOM 0 H GLY A 82 18.874 -25.119 15.445 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.778 -23.157 17.205 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.879 -23.117 15.456 1.00 0.41 H new ATOM 1317 N ILE A 83 17.073 -22.322 15.548 1.00 31.40 N ATOM 1318 CA ILE A 83 16.023 -21.317 15.438 1.00 1.12 C ATOM 1319 C ILE A 83 14.760 -21.760 16.168 1.00 73.35 C ATOM 1320 O ILE A 83 13.952 -20.933 16.591 1.00 13.12 O ATOM 1321 CB ILE A 83 15.677 -21.023 13.967 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.091 -22.269 13.299 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.911 -20.544 13.217 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.614 -22.028 11.884 1.00 2.43 C ATOM 0 H ILE A 83 16.885 -23.186 15.039 1.00 31.40 H new ATOM 0 HA ILE A 83 16.407 -20.408 15.900 1.00 1.12 H new ATOM 0 HB ILE A 83 14.928 -20.231 13.937 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.845 -23.056 13.290 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.257 -22.634 13.898 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.649 -20.341 12.179 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.288 -19.633 13.681 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.681 -21.315 13.253 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.211 -22.954 11.473 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.837 -21.264 11.887 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.450 -21.692 11.270 1.00 2.43 H new ATOM 1336 N HIS A 84 14.596 -23.071 16.313 1.00 63.03 N ATOM 1337 CA HIS A 84 13.432 -23.625 16.995 1.00 54.51 C ATOM 1338 C HIS A 84 13.726 -25.026 17.522 1.00 12.33 C ATOM 1339 O HIS A 84 13.634 -26.020 16.800 1.00 53.42 O ATOM 1340 CB HIS A 84 12.232 -23.666 16.048 1.00 32.52 C ATOM 1341 CG HIS A 84 10.951 -23.220 16.684 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.600 -23.548 17.976 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.937 -22.467 16.199 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.423 -23.017 18.258 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.000 -22.355 17.196 1.00 13.00 N ATOM 0 H HIS A 84 15.254 -23.769 15.967 1.00 63.03 H new ATOM 0 HA HIS A 84 13.197 -22.980 17.841 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.439 -23.033 15.185 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.108 -24.683 15.675 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.876 -22.034 15.211 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.897 -23.109 19.197 1.00 4.32 H new ATOM 0 HE2 HIS A 84 8.120 -21.844 17.128 1.00 13.00 H new ATOM 1353 N PRO A 85 14.090 -25.110 18.810 1.00 51.33 N ATOM 1354 CA PRO A 85 14.406 -26.384 19.462 1.00 21.45 C ATOM 1355 C PRO A 85 13.172 -27.260 19.652 1.00 1.12 C ATOM 1356 O PRO A 85 13.278 -28.417 20.056 1.00 55.23 O ATOM 1357 CB PRO A 85 14.973 -25.958 20.819 1.00 54.51 C ATOM 1358 CG PRO A 85 14.372 -24.619 21.076 1.00 23.33 C ATOM 1359 CD PRO A 85 14.221 -23.967 19.730 1.00 35.21 C ATOM 0 HA PRO A 85 15.093 -26.986 18.868 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.706 -26.669 21.601 1.00 54.51 H new ATOM 0 HB3 PRO A 85 16.061 -25.906 20.795 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.407 -24.714 21.574 1.00 23.33 H new ATOM 0 HG3 PRO A 85 15.011 -24.024 21.729 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.345 -23.319 19.693 1.00 35.21 H new ATOM 0 HD3 PRO A 85 15.085 -23.350 19.483 1.00 35.21 H new ATOM 1367 N GLU A 86 12.003 -26.699 19.358 1.00 11.24 N ATOM 1368 CA GLU A 86 10.749 -27.431 19.497 1.00 2.30 C ATOM 1369 C GLU A 86 10.602 -28.473 18.392 1.00 54.33 C ATOM 1370 O GLU A 86 9.831 -29.424 18.520 1.00 72.01 O ATOM 1371 CB GLU A 86 9.563 -26.464 19.463 1.00 32.11 C ATOM 1372 CG GLU A 86 9.419 -25.634 20.727 1.00 10.02 C ATOM 1373 CD GLU A 86 8.046 -25.005 20.858 1.00 32.22 C ATOM 1374 OE1 GLU A 86 7.400 -24.766 19.817 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 7.617 -24.752 22.004 1.00 32.50 O ATOM 0 H GLU A 86 11.898 -25.741 19.023 1.00 11.24 H new ATOM 0 HA GLU A 86 10.762 -27.946 20.458 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.675 -25.795 18.610 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.646 -27.032 19.305 1.00 32.11 H new ATOM 0 HG2 GLU A 86 9.610 -26.265 21.595 1.00 10.02 H new ATOM 0 HG3 GLU A 86 10.176 -24.850 20.730 1.00 10.02 H new ATOM 1382 N TYR A 87 11.346 -28.286 17.308 1.00 13.33 N ATOM 1383 CA TYR A 87 11.296 -29.207 16.179 1.00 62.40 C ATOM 1384 C TYR A 87 11.605 -30.633 16.625 1.00 30.01 C ATOM 1385 O TYR A 87 11.901 -30.879 17.794 1.00 64.21 O ATOM 1386 CB TYR A 87 12.286 -28.774 15.096 1.00 41.24 C ATOM 1387 CG TYR A 87 11.805 -27.605 14.268 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.507 -27.567 13.772 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.647 -26.538 13.981 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.063 -26.501 13.014 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.210 -25.466 13.226 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.918 -25.453 12.744 1.00 73.33 C ATOM 1393 OH TYR A 87 10.480 -24.388 11.990 1.00 33.41 O ATOM 0 H TYR A 87 11.991 -27.505 17.187 1.00 13.33 H new ATOM 0 HA TYR A 87 10.286 -29.184 15.769 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.233 -28.510 15.566 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.482 -29.619 14.436 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.834 -28.385 13.983 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.660 -26.546 14.354 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.052 -26.488 12.635 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.877 -24.643 13.015 1.00 41.22 H new ATOM 0 HH TYR A 87 11.058 -23.613 12.152 1.00 33.41 H new ATOM 1403 N MET A 88 11.535 -31.569 15.685 1.00 30.33 N ATOM 1404 CA MET A 88 11.808 -32.971 15.980 1.00 15.53 C ATOM 1405 C MET A 88 12.024 -33.765 14.695 1.00 10.42 C ATOM 1406 O MET A 88 11.438 -33.456 13.657 1.00 24.25 O ATOM 1407 CB MET A 88 10.657 -33.580 16.782 1.00 14.22 C ATOM 1408 CG MET A 88 10.953 -34.976 17.306 1.00 4.24 C ATOM 1409 SD MET A 88 10.221 -35.279 18.926 1.00 21.05 S ATOM 1410 CE MET A 88 11.429 -34.500 19.995 1.00 34.51 C ATOM 0 H MET A 88 11.292 -31.382 14.712 1.00 30.33 H new ATOM 0 HA MET A 88 12.720 -33.020 16.574 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.426 -32.927 17.623 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.767 -33.618 16.154 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.576 -35.713 16.597 1.00 4.24 H new ATOM 0 HG3 MET A 88 12.032 -35.116 17.367 1.00 4.24 H new ATOM 0 HE1 MET A 88 11.116 -34.604 21.034 1.00 34.51 H new ATOM 0 HE2 MET A 88 12.398 -34.979 19.858 1.00 34.51 H new ATOM 0 HE3 MET A 88 11.509 -33.442 19.744 1.00 34.51 H new ATOM 1420 N VAL A 89 12.868 -34.789 14.772 1.00 2.14 N ATOM 1421 CA VAL A 89 13.160 -35.627 13.616 1.00 32.25 C ATOM 1422 C VAL A 89 11.877 -36.127 12.961 1.00 31.51 C ATOM 1423 O VAL A 89 11.062 -36.795 13.597 1.00 22.02 O ATOM 1424 CB VAL A 89 14.029 -36.838 14.005 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.298 -37.715 12.792 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.333 -36.375 14.638 1.00 64.13 C ATOM 0 H VAL A 89 13.361 -35.058 15.623 1.00 2.14 H new ATOM 0 HA VAL A 89 13.709 -35.007 12.907 1.00 32.25 H new ATOM 0 HB VAL A 89 13.485 -37.433 14.739 1.00 43.25 H new ATOM 0 HG11 VAL A 89 14.913 -38.565 13.087 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.352 -38.075 12.386 1.00 5.33 H new ATOM 0 HG13 VAL A 89 14.821 -37.135 12.032 1.00 5.33 H new ATOM 0 HG21 VAL A 89 15.935 -37.243 14.907 1.00 64.13 H new ATOM 0 HG22 VAL A 89 15.883 -35.758 13.928 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.116 -35.792 15.533 1.00 64.13 H new ATOM 1436 N GLY A 90 11.704 -35.799 11.684 1.00 61.31 N ATOM 1437 CA GLY A 90 10.517 -36.223 10.964 1.00 5.34 C ATOM 1438 C GLY A 90 9.597 -35.065 10.630 1.00 73.20 C ATOM 1439 O GLY A 90 8.746 -35.175 9.747 1.00 73.05 O ATOM 0 H GLY A 90 12.364 -35.248 11.136 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.814 -36.724 10.043 1.00 5.34 H new ATOM 0 HA3 GLY A 90 9.974 -36.953 11.563 1.00 5.34 H new ATOM 1443 N ASP A 91 9.767 -33.954 11.337 1.00 14.12 N ATOM 1444 CA ASP A 91 8.944 -32.771 11.111 1.00 22.15 C ATOM 1445 C ASP A 91 9.482 -31.950 9.943 1.00 32.31 C ATOM 1446 O ASP A 91 10.365 -32.397 9.211 1.00 53.31 O ATOM 1447 CB ASP A 91 8.893 -31.910 12.375 1.00 12.13 C ATOM 1448 CG ASP A 91 7.526 -31.296 12.602 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.701 -31.322 11.665 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.281 -30.788 13.716 1.00 3.14 O ATOM 0 H ASP A 91 10.467 -33.847 12.071 1.00 14.12 H new ATOM 0 HA ASP A 91 7.935 -33.102 10.865 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.162 -32.520 13.238 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.637 -31.117 12.301 1.00 12.13 H new ATOM 1455 N VAL A 92 8.942 -30.747 9.774 1.00 31.51 N ATOM 1456 CA VAL A 92 9.367 -29.863 8.695 1.00 42.33 C ATOM 1457 C VAL A 92 9.649 -28.458 9.215 1.00 75.52 C ATOM 1458 O VAL A 92 8.941 -27.953 10.086 1.00 53.31 O ATOM 1459 CB VAL A 92 8.305 -29.784 7.583 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.292 -31.066 6.764 1.00 55.14 C ATOM 1461 CG2 VAL A 92 6.932 -29.507 8.177 1.00 61.45 C ATOM 0 H VAL A 92 8.209 -30.362 10.370 1.00 31.51 H new ATOM 0 HA VAL A 92 10.283 -30.285 8.282 1.00 42.33 H new ATOM 0 HB VAL A 92 8.561 -28.959 6.918 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.535 -30.991 5.983 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.270 -31.216 6.308 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.061 -31.910 7.413 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.193 -29.454 7.377 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.665 -30.309 8.865 1.00 61.45 H new ATOM 0 HG23 VAL A 92 6.953 -28.559 8.715 1.00 61.45 H new ATOM 1471 N VAL A 93 10.688 -27.830 8.673 1.00 53.22 N ATOM 1472 CA VAL A 93 11.064 -26.481 9.081 1.00 1.40 C ATOM 1473 C VAL A 93 10.981 -25.510 7.908 1.00 13.54 C ATOM 1474 O VAL A 93 11.318 -25.858 6.777 1.00 42.32 O ATOM 1475 CB VAL A 93 12.489 -26.447 9.662 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.486 -27.023 8.668 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.871 -25.027 10.051 1.00 1.50 C ATOM 0 H VAL A 93 11.284 -28.234 7.951 1.00 53.22 H new ATOM 0 HA VAL A 93 10.358 -26.175 9.853 1.00 1.40 H new ATOM 0 HB VAL A 93 12.511 -27.064 10.560 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.488 -26.990 9.097 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.221 -28.056 8.444 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.465 -26.436 7.750 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.881 -25.021 10.460 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.832 -24.386 9.171 1.00 1.50 H new ATOM 0 HG23 VAL A 93 12.174 -24.655 10.802 1.00 1.50 H new ATOM 1487 N GLU A 94 10.531 -24.291 8.187 1.00 63.33 N ATOM 1488 CA GLU A 94 10.405 -23.269 7.154 1.00 13.04 C ATOM 1489 C GLU A 94 11.360 -22.108 7.417 1.00 14.14 C ATOM 1490 O GLU A 94 11.411 -21.572 8.525 1.00 22.33 O ATOM 1491 CB GLU A 94 8.965 -22.755 7.089 1.00 72.23 C ATOM 1492 CG GLU A 94 8.078 -23.548 6.145 1.00 51.42 C ATOM 1493 CD GLU A 94 6.629 -23.576 6.591 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.187 -22.599 7.232 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.937 -24.574 6.300 1.00 11.44 O1- ATOM 0 H GLU A 94 10.248 -23.987 9.119 1.00 63.33 H new ATOM 0 HA GLU A 94 10.666 -23.721 6.197 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.533 -22.783 8.089 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.974 -21.711 6.774 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.138 -23.115 5.146 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.452 -24.569 6.073 1.00 51.42 H new ATOM 1502 N ILE A 95 12.114 -21.727 6.392 1.00 43.41 N ATOM 1503 CA ILE A 95 13.067 -20.630 6.512 1.00 24.11 C ATOM 1504 C ILE A 95 12.918 -19.645 5.358 1.00 51.42 C ATOM 1505 O ILE A 95 12.732 -20.044 4.209 1.00 43.44 O ATOM 1506 CB ILE A 95 14.518 -21.146 6.548 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.648 -22.297 7.548 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.473 -20.017 6.904 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.418 -23.660 6.935 1.00 4.40 C ATOM 0 H ILE A 95 12.084 -22.161 5.469 1.00 43.41 H new ATOM 0 HA ILE A 95 12.848 -20.122 7.451 1.00 24.11 H new ATOM 0 HB ILE A 95 14.781 -21.518 5.558 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.643 -22.271 7.992 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.934 -22.147 8.357 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.494 -20.397 6.925 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.396 -19.226 6.158 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.214 -19.617 7.884 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.526 -24.427 7.702 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.413 -23.705 6.516 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.149 -23.832 6.145 1.00 4.40 H new ATOM 1521 N GLU A 96 13.004 -18.356 5.673 1.00 15.41 N ATOM 1522 CA GLU A 96 12.880 -17.313 4.661 1.00 4.20 C ATOM 1523 C GLU A 96 13.848 -17.557 3.507 1.00 3.25 C ATOM 1524 O GLU A 96 15.060 -17.635 3.705 1.00 21.32 O ATOM 1525 CB GLU A 96 13.142 -15.938 5.279 1.00 33.11 C ATOM 1526 CG GLU A 96 14.506 -15.816 5.937 1.00 44.11 C ATOM 1527 CD GLU A 96 14.589 -14.643 6.894 1.00 24.12 C ATOM 1528 OE1 GLU A 96 14.282 -14.831 8.090 1.00 64.34 O ATOM 1529 OE2 GLU A 96 14.961 -13.538 6.448 1.00 23.44 O1- ATOM 0 H GLU A 96 13.159 -18.009 6.620 1.00 15.41 H new ATOM 0 HA GLU A 96 11.863 -17.340 4.271 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.053 -15.177 4.503 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.371 -15.729 6.020 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.729 -16.737 6.476 1.00 44.11 H new ATOM 0 HG3 GLU A 96 15.269 -15.706 5.166 1.00 44.11 H new ATOM 1536 N VAL A 97 13.303 -17.678 2.301 1.00 52.41 N ATOM 1537 CA VAL A 97 14.117 -17.912 1.114 1.00 41.24 C ATOM 1538 C VAL A 97 13.698 -16.996 -0.030 1.00 64.02 C ATOM 1539 O VAL A 97 14.155 -17.149 -1.163 1.00 40.42 O ATOM 1540 CB VAL A 97 14.019 -19.377 0.646 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.667 -19.642 0.002 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.151 -19.705 -0.315 1.00 14.33 C ATOM 0 H VAL A 97 12.301 -17.618 2.120 1.00 52.41 H new ATOM 0 HA VAL A 97 15.149 -17.694 1.390 1.00 41.24 H new ATOM 0 HB VAL A 97 14.113 -20.026 1.516 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.616 -20.681 -0.322 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.875 -19.448 0.726 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.540 -18.986 -0.859 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.067 -20.743 -0.636 1.00 14.33 H new ATOM 0 HG22 VAL A 97 15.091 -19.051 -1.185 1.00 14.33 H new ATOM 0 HG23 VAL A 97 16.108 -19.556 0.186 1.00 14.33 H new ATOM 1552 N THR A 98 12.824 -16.041 0.273 1.00 74.11 N ATOM 1553 CA THR A 98 12.342 -15.100 -0.729 1.00 21.42 C ATOM 1554 C THR A 98 13.412 -14.072 -1.078 1.00 23.55 C ATOM 1555 O THR A 98 14.171 -13.615 -0.222 1.00 72.05 O ATOM 1556 CB THR A 98 11.077 -14.364 -0.247 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.709 -13.352 -1.190 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.306 -13.732 1.118 1.00 33.24 C ATOM 0 H THR A 98 12.436 -15.899 1.205 1.00 74.11 H new ATOM 0 HA THR A 98 12.098 -15.683 -1.617 1.00 21.42 H new ATOM 0 HB THR A 98 10.270 -15.092 -0.163 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.924 -13.647 -1.697 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.399 -13.218 1.438 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.557 -14.508 1.841 1.00 33.24 H new ATOM 0 HG23 THR A 98 12.126 -13.016 1.055 1.00 33.24 H new ATOM 1566 N PRO A 99 13.476 -13.696 -2.364 1.00 61.42 N ATOM 1567 CA PRO A 99 14.450 -12.716 -2.855 1.00 22.35 C ATOM 1568 C PRO A 99 14.155 -11.306 -2.356 1.00 21.13 C ATOM 1569 O PRO A 99 13.030 -10.999 -1.961 1.00 4.33 O ATOM 1570 CB PRO A 99 14.291 -12.790 -4.375 1.00 33.45 C ATOM 1571 CG PRO A 99 12.899 -13.277 -4.588 1.00 23.31 C ATOM 1572 CD PRO A 99 12.603 -14.199 -3.438 1.00 75.43 C ATOM 0 HA PRO A 99 15.460 -12.935 -2.507 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.444 -11.815 -4.837 1.00 33.45 H new ATOM 0 HB3 PRO A 99 15.020 -13.470 -4.817 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.194 -12.446 -4.613 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.810 -13.800 -5.540 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.552 -14.161 -3.152 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.828 -15.236 -3.686 1.00 75.43 H new ATOM 1580 N LYS A 100 15.171 -10.451 -2.377 1.00 1.34 N ATOM 1581 CA LYS A 100 15.021 -9.072 -1.929 1.00 31.23 C ATOM 1582 C LYS A 100 14.276 -8.240 -2.968 1.00 11.53 C ATOM 1583 O LYS A 100 13.954 -7.076 -2.730 1.00 43.02 O ATOM 1584 CB LYS A 100 16.393 -8.452 -1.652 1.00 14.02 C ATOM 1585 CG LYS A 100 17.252 -8.295 -2.894 1.00 13.24 C ATOM 1586 CD LYS A 100 18.732 -8.293 -2.552 1.00 51.30 C ATOM 1587 CE LYS A 100 19.583 -7.923 -3.758 1.00 60.13 C ATOM 1588 NZ LYS A 100 19.619 -9.018 -4.767 1.00 62.04 N1+ ATOM 0 H LYS A 100 16.109 -10.689 -2.700 1.00 1.34 H new ATOM 0 HA LYS A 100 14.438 -9.077 -1.008 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.254 -7.474 -1.191 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.924 -9.073 -0.930 1.00 14.02 H new ATOM 0 HG2 LYS A 100 17.040 -9.107 -3.589 1.00 13.24 H new ATOM 0 HG3 LYS A 100 16.994 -7.365 -3.401 1.00 13.24 H new ATOM 0 HD2 LYS A 100 18.919 -7.586 -1.743 1.00 51.30 H new ATOM 0 HD3 LYS A 100 19.024 -9.278 -2.188 1.00 51.30 H new ATOM 0 HE2 LYS A 100 19.187 -7.018 -4.218 1.00 60.13 H new ATOM 0 HE3 LYS A 100 20.598 -7.697 -3.431 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 20.208 -8.728 -5.573 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 20.020 -9.875 -4.335 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 18.653 -9.217 -5.098 1.00 62.04 H new ATOM 1602 N ASP A 101 14.005 -8.845 -4.119 1.00 23.32 N ATOM 1603 CA ASP A 101 13.295 -8.160 -5.194 1.00 41.13 C ATOM 1604 C ASP A 101 11.882 -8.713 -5.349 1.00 43.12 C ATOM 1605 O ASP A 101 11.160 -8.347 -6.277 1.00 15.43 O ATOM 1606 CB ASP A 101 14.060 -8.303 -6.511 1.00 64.01 C ATOM 1607 CG ASP A 101 15.423 -7.641 -6.463 1.00 62.02 C ATOM 1608 OD1 ASP A 101 15.537 -6.561 -5.847 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 16.376 -8.203 -7.044 1.00 12.30 O ATOM 0 H ASP A 101 14.266 -9.808 -4.332 1.00 23.32 H new ATOM 0 HA ASP A 101 13.226 -7.103 -4.936 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.181 -9.361 -6.745 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.474 -7.863 -7.318 1.00 64.01 H new ATOM 1614 N PHE A 102 11.493 -9.596 -4.436 1.00 61.52 N ATOM 1615 CA PHE A 102 10.167 -10.200 -4.472 1.00 41.25 C ATOM 1616 C PHE A 102 9.088 -9.164 -4.173 1.00 61.03 C ATOM 1617 O PHE A 102 7.920 -9.352 -4.510 1.00 73.03 O ATOM 1618 CB PHE A 102 10.079 -11.349 -3.466 1.00 42.23 C ATOM 1619 CG PHE A 102 9.391 -12.570 -4.008 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.794 -13.132 -5.209 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.344 -13.156 -3.317 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.163 -14.254 -5.711 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.709 -14.279 -3.813 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.120 -14.829 -5.011 1.00 15.23 C ATOM 0 H PHE A 102 12.078 -9.909 -3.661 1.00 61.52 H new ATOM 0 HA PHE A 102 10.001 -10.591 -5.476 1.00 41.25 H new ATOM 0 HB2 PHE A 102 11.086 -11.620 -3.148 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.546 -11.005 -2.580 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.611 -12.688 -5.759 1.00 34.02 H new ATOM 0 HD2 PHE A 102 8.020 -12.730 -2.379 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.485 -14.681 -6.649 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.893 -14.726 -3.265 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.627 -15.707 -5.400 1.00 15.23 H new ATOM 1634 N GLY A 103 9.489 -8.067 -3.538 1.00 33.20 N ATOM 1635 CA GLY A 103 8.546 -7.016 -3.203 1.00 14.33 C ATOM 1636 C GLY A 103 7.715 -6.582 -4.394 1.00 14.11 C ATOM 1637 O GLY A 103 6.487 -6.534 -4.318 1.00 52.21 O ATOM 0 H GLY A 103 10.451 -7.887 -3.249 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.884 -7.365 -2.410 1.00 14.33 H new ATOM 0 HA3 GLY A 103 9.089 -6.156 -2.810 1.00 14.33 H new ATOM 1641 N ARG A 104 8.385 -6.263 -5.496 1.00 11.41 N ATOM 1642 CA ARG A 104 7.700 -5.827 -6.708 1.00 21.11 C ATOM 1643 C ARG A 104 7.117 -7.019 -7.461 1.00 54.21 C ATOM 1644 O ARG A 104 6.027 -6.935 -8.027 1.00 35.02 O ATOM 1645 CB ARG A 104 8.663 -5.058 -7.614 1.00 50.22 C ATOM 1646 CG ARG A 104 8.947 -3.643 -7.140 1.00 72.45 C ATOM 1647 CD ARG A 104 10.244 -3.108 -7.727 1.00 22.14 C ATOM 1648 NE ARG A 104 10.076 -2.661 -9.107 1.00 50.51 N ATOM 1649 CZ ARG A 104 11.091 -2.359 -9.910 1.00 32.33 C ATOM 1650 NH1 ARG A 104 12.339 -2.455 -9.472 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 10.858 -1.959 -11.154 1.00 63.54 N ATOM 0 H ARG A 104 9.401 -6.298 -5.575 1.00 11.41 H new ATOM 0 HA ARG A 104 6.882 -5.168 -6.417 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.603 -5.606 -7.679 1.00 50.22 H new ATOM 0 HB3 ARG A 104 8.247 -5.018 -8.621 1.00 50.22 H new ATOM 0 HG2 ARG A 104 8.121 -2.990 -7.424 1.00 72.45 H new ATOM 0 HG3 ARG A 104 9.005 -3.628 -6.052 1.00 72.45 H new ATOM 0 HD2 ARG A 104 10.602 -2.278 -7.118 1.00 22.14 H new ATOM 0 HD3 ARG A 104 11.007 -3.885 -7.688 1.00 22.14 H new ATOM 0 HE ARG A 104 9.128 -2.576 -9.475 1.00 50.51 H new ATOM 0 HH11 ARG A 104 12.522 -2.761 -8.516 1.00 65.42 H new ATOM 0 HH12 ARG A 104 13.116 -2.223 -10.091 1.00 65.42 H new ATOM 0 HH21 ARG A 104 9.899 -1.883 -11.494 1.00 63.54 H new ATOM 0 HH22 ARG A 104 11.638 -1.727 -11.770 1.00 63.54 H new ATOM 1665 N ILE A 105 7.851 -8.127 -7.464 1.00 74.15 N ATOM 1666 CA ILE A 105 7.407 -9.335 -8.147 1.00 51.42 C ATOM 1667 C ILE A 105 6.059 -9.805 -7.612 1.00 31.22 C ATOM 1668 O ILE A 105 5.218 -10.298 -8.363 1.00 32.23 O ATOM 1669 CB ILE A 105 8.431 -10.475 -7.999 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.786 -10.051 -8.570 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.929 -11.733 -8.692 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.902 -11.025 -8.266 1.00 51.01 C ATOM 0 H ILE A 105 8.756 -8.213 -7.001 1.00 74.15 H new ATOM 0 HA ILE A 105 7.308 -9.082 -9.203 1.00 51.42 H new ATOM 0 HB ILE A 105 8.557 -10.694 -6.939 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.697 -9.939 -9.651 1.00 71.02 H new ATOM 0 HG13 ILE A 105 10.050 -9.072 -8.169 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.665 -12.529 -8.578 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.985 -12.044 -8.243 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.777 -11.529 -9.752 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.832 -10.660 -8.701 1.00 51.01 H new ATOM 0 HD12 ILE A 105 11.019 -11.119 -7.186 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.660 -11.999 -8.691 1.00 51.01 H new ATOM 1684 N ALA A 106 5.859 -9.648 -6.307 1.00 52.13 N ATOM 1685 CA ALA A 106 4.612 -10.052 -5.671 1.00 0.32 C ATOM 1686 C ALA A 106 3.410 -9.428 -6.372 1.00 11.13 C ATOM 1687 O ALA A 106 2.458 -10.121 -6.729 1.00 42.22 O ATOM 1688 CB ALA A 106 4.623 -9.671 -4.198 1.00 60.32 C ATOM 0 H ALA A 106 6.545 -9.244 -5.670 1.00 52.13 H new ATOM 0 HA ALA A 106 4.525 -11.135 -5.754 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.685 -9.979 -3.736 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.454 -10.170 -3.699 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.737 -8.591 -4.102 1.00 60.32 H new ATOM 1694 N ALA A 107 3.461 -8.114 -6.565 1.00 54.24 N ATOM 1695 CA ALA A 107 2.377 -7.396 -7.224 1.00 40.42 C ATOM 1696 C ALA A 107 2.288 -7.771 -8.700 1.00 61.51 C ATOM 1697 O ALA A 107 1.197 -7.856 -9.263 1.00 62.23 O ATOM 1698 CB ALA A 107 2.567 -5.895 -7.070 1.00 41.43 C ATOM 0 H ALA A 107 4.241 -7.525 -6.274 1.00 54.24 H new ATOM 0 HA ALA A 107 1.441 -7.683 -6.745 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.750 -5.372 -7.567 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.573 -5.636 -6.011 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.514 -5.600 -7.521 1.00 41.43 H new ATOM 1704 N GLN A 108 3.442 -7.994 -9.319 1.00 63.24 N ATOM 1705 CA GLN A 108 3.493 -8.359 -10.730 1.00 24.31 C ATOM 1706 C GLN A 108 2.889 -9.741 -10.958 1.00 33.31 C ATOM 1707 O GLN A 108 2.333 -10.021 -12.020 1.00 5.33 O ATOM 1708 CB GLN A 108 4.937 -8.331 -11.234 1.00 74.24 C ATOM 1709 CG GLN A 108 5.078 -8.716 -12.698 1.00 10.13 C ATOM 1710 CD GLN A 108 6.488 -8.518 -13.220 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.317 -7.875 -12.575 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.767 -9.071 -14.394 1.00 30.20 N ATOM 0 H GLN A 108 4.354 -7.929 -8.867 1.00 63.24 H new ATOM 0 HA GLN A 108 2.906 -7.630 -11.289 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.344 -7.330 -11.089 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.538 -9.010 -10.629 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.791 -9.760 -12.825 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.387 -8.121 -13.295 1.00 10.13 H new ATOM 0 HE21 GLN A 108 6.049 -9.595 -14.894 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.699 -8.971 -14.796 1.00 30.20 H new ATOM 1721 N THR A 109 3.003 -10.603 -9.952 1.00 14.35 N ATOM 1722 CA THR A 109 2.470 -11.957 -10.043 1.00 1.22 C ATOM 1723 C THR A 109 0.991 -11.991 -9.674 1.00 5.53 C ATOM 1724 O THR A 109 0.207 -12.722 -10.279 1.00 22.25 O ATOM 1725 CB THR A 109 3.239 -12.926 -9.125 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.646 -12.680 -9.223 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.944 -14.371 -9.497 1.00 43.12 C ATOM 0 H THR A 109 3.459 -10.388 -9.066 1.00 14.35 H new ATOM 0 HA THR A 109 2.591 -12.276 -11.078 1.00 1.22 H new ATOM 0 HB THR A 109 2.912 -12.758 -8.099 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.884 -11.912 -8.662 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.498 -15.037 -8.836 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.876 -14.563 -9.394 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.247 -14.550 -10.529 1.00 43.12 H new ATOM 1735 N ALA A 110 0.616 -11.195 -8.678 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.770 -11.133 -8.230 1.00 65.20 C ATOM 1737 C ALA A 110 -1.631 -10.354 -9.218 1.00 34.15 C ATOM 1738 O ALA A 110 -2.809 -10.659 -9.407 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.850 -10.505 -6.846 1.00 42.13 C ATOM 0 H ALA A 110 1.253 -10.584 -8.166 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.155 -12.151 -8.177 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.891 -10.465 -6.524 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.275 -11.105 -6.141 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.442 -9.495 -6.881 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.037 -9.344 -9.845 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.749 -8.520 -10.814 1.00 13.33 C ATOM 1747 C LYS A 111 -2.024 -9.301 -12.095 1.00 33.32 C ATOM 1748 O LYS A 111 -3.069 -9.132 -12.723 1.00 3.05 O ATOM 1749 CB LYS A 111 -0.941 -7.261 -11.136 1.00 20.42 C ATOM 1750 CG LYS A 111 0.287 -7.528 -11.989 1.00 74.20 C ATOM 1751 CD LYS A 111 -0.019 -7.379 -13.470 1.00 34.11 C ATOM 1752 CE LYS A 111 0.344 -5.991 -13.977 1.00 74.34 C ATOM 1753 NZ LYS A 111 1.803 -5.864 -14.247 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.064 -9.077 -9.699 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.703 -8.230 -10.374 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.584 -6.549 -11.653 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -0.630 -6.791 -10.203 1.00 20.42 H new ATOM 0 HG2 LYS A 111 1.082 -6.837 -11.710 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.656 -8.535 -11.792 1.00 74.20 H new ATOM 0 HD2 LYS A 111 0.534 -8.130 -14.034 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -1.079 -7.566 -13.644 1.00 34.11 H new ATOM 0 HE2 LYS A 111 -0.214 -5.780 -14.889 1.00 74.34 H new ATOM 0 HE3 LYS A 111 0.045 -5.245 -13.240 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 2.010 -4.905 -14.591 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 2.335 -6.040 -13.371 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 2.084 -6.558 -14.968 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.081 -10.157 -12.475 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.223 -10.964 -13.681 1.00 10.21 C ATOM 1769 C GLN A 112 -2.207 -12.108 -13.457 1.00 0.31 C ATOM 1770 O GLN A 112 -2.913 -12.523 -14.377 1.00 14.34 O ATOM 1771 CB GLN A 112 0.135 -11.521 -14.111 1.00 41.41 C ATOM 1772 CG GLN A 112 0.761 -12.456 -13.088 1.00 33.01 C ATOM 1773 CD GLN A 112 2.008 -13.142 -13.611 1.00 31.12 C ATOM 1774 OE1 GLN A 112 3.064 -12.522 -13.737 1.00 53.14 O ATOM 1775 NE2 GLN A 112 1.891 -14.428 -13.918 1.00 73.33 N ATOM 0 H GLN A 112 -0.211 -10.310 -11.965 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.612 -10.323 -14.473 1.00 10.21 H new ATOM 0 HB2 GLN A 112 0.017 -12.054 -15.054 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.816 -10.691 -14.297 1.00 41.41 H new ATOM 0 HG2 GLN A 112 1.011 -11.891 -12.190 1.00 33.01 H new ATOM 0 HG3 GLN A 112 0.031 -13.211 -12.796 1.00 33.01 H new ATOM 0 HE21 GLN A 112 0.996 -14.902 -13.797 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.696 -14.943 -14.274 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.248 -12.615 -12.229 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.146 -13.711 -11.884 1.00 53.54 C ATOM 1786 C VAL A 113 -4.596 -13.243 -11.850 1.00 33.44 C ATOM 1787 O VAL A 113 -5.456 -13.802 -12.531 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.783 -14.325 -10.518 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.888 -15.255 -10.041 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.454 -15.060 -10.601 1.00 71.43 C ATOM 0 H VAL A 113 -1.670 -12.284 -11.456 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.031 -14.471 -12.657 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.681 -13.519 -9.792 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.615 -15.680 -9.075 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.817 -14.694 -9.941 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.025 -16.058 -10.765 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.213 -15.487 -9.628 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.525 -15.858 -11.340 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.670 -14.362 -10.895 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.862 -12.214 -11.051 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.209 -11.669 -10.929 1.00 44.31 C ATOM 1802 C VAL A 114 -6.764 -11.267 -12.290 1.00 24.40 C ATOM 1803 O VAL A 114 -7.954 -11.432 -12.562 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.236 -10.446 -9.993 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.882 -10.853 -8.571 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.290 -9.367 -10.499 1.00 62.43 C ATOM 0 H VAL A 114 -4.162 -11.741 -10.479 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.832 -12.456 -10.504 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.247 -10.038 -9.987 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.906 -9.976 -7.925 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.603 -11.588 -8.213 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.883 -11.288 -8.555 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.322 -8.510 -9.826 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.275 -9.762 -10.536 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.595 -9.055 -11.498 1.00 62.43 H new ATOM 1816 N THR A 115 -5.895 -10.736 -13.145 1.00 11.13 N ATOM 1817 CA THR A 115 -6.298 -10.309 -14.479 1.00 33.11 C ATOM 1818 C THR A 115 -6.772 -11.492 -15.316 1.00 25.41 C ATOM 1819 O THR A 115 -7.706 -11.369 -16.107 1.00 0.53 O ATOM 1820 CB THR A 115 -5.144 -9.604 -15.216 1.00 14.23 C ATOM 1821 OG1 THR A 115 -4.785 -8.401 -14.526 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.537 -9.274 -16.648 1.00 72.31 C ATOM 0 H THR A 115 -4.907 -10.591 -12.937 1.00 11.13 H new ATOM 0 HA THR A 115 -7.121 -9.606 -14.350 1.00 33.11 H new ATOM 0 HB THR A 115 -4.289 -10.280 -15.237 1.00 14.23 H new ATOM 0 HG1 THR A 115 -3.957 -8.547 -14.022 1.00 20.24 H new ATOM 0 HG21 THR A 115 -4.706 -8.777 -17.148 1.00 72.31 H new ATOM 0 HG22 THR A 115 -5.782 -10.194 -17.179 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.405 -8.615 -16.644 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.122 -12.637 -15.134 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.479 -13.843 -15.873 1.00 54.01 C ATOM 1832 C GLN A 116 -7.880 -14.316 -15.500 1.00 61.15 C ATOM 1833 O GLN A 116 -8.644 -14.759 -16.357 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.463 -14.953 -15.600 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.149 -14.772 -16.342 1.00 43.44 C ATOM 1836 CD GLN A 116 -3.040 -15.645 -15.788 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -1.930 -15.175 -15.539 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -3.336 -16.925 -15.592 1.00 23.42 N ATOM 0 H GLN A 116 -5.346 -12.755 -14.482 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.468 -13.604 -16.936 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -5.263 -14.996 -14.529 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.900 -15.911 -15.881 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.297 -15.005 -17.397 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.846 -13.727 -16.286 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -4.269 -17.272 -15.812 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -2.630 -17.561 -15.221 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.209 -14.219 -14.216 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.518 -14.639 -13.730 1.00 0.51 C ATOM 1849 C ARG A 117 -10.626 -13.794 -14.351 1.00 2.44 C ATOM 1850 O ARG A 117 -11.755 -14.255 -14.516 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.576 -14.534 -12.205 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.347 -15.093 -11.508 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.044 -16.511 -11.965 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.200 -17.391 -11.820 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.130 -18.715 -11.899 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -7.965 -19.309 -12.120 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.227 -19.449 -11.757 1.00 63.20 N ATOM 0 H ARG A 117 -7.588 -13.854 -13.494 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.670 -15.678 -14.023 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.697 -13.487 -11.926 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.459 -15.063 -11.846 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.489 -14.453 -11.712 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.503 -15.083 -10.429 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -7.728 -16.496 -13.008 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.211 -16.908 -11.385 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.111 -16.966 -11.649 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.120 -18.749 -12.230 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -7.914 -20.326 -12.180 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.125 -18.996 -11.587 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -10.172 -20.466 -11.818 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.295 -12.553 -14.694 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.261 -11.643 -15.298 1.00 4.21 C ATOM 1873 C VAL A 118 -11.574 -12.048 -16.734 1.00 14.31 C ATOM 1874 O VAL A 118 -12.736 -12.219 -17.102 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.747 -10.191 -15.287 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -11.881 -9.221 -15.583 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.094 -9.868 -13.952 1.00 2.43 C ATOM 0 H VAL A 118 -9.365 -12.155 -14.564 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.170 -11.704 -14.700 1.00 4.21 H new ATOM 0 HB VAL A 118 -9.995 -10.084 -16.069 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.499 -8.200 -15.571 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.300 -9.440 -16.565 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.657 -9.327 -14.825 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.736 -8.838 -13.962 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -10.823 -9.992 -13.151 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.254 -10.542 -13.785 1.00 2.43 H new ATOM 1887 N ARG A 119 -10.529 -12.201 -17.541 1.00 45.44 N ATOM 1888 CA ARG A 119 -10.693 -12.586 -18.938 1.00 54.32 C ATOM 1889 C ARG A 119 -11.161 -14.034 -19.052 1.00 31.42 C ATOM 1890 O ARG A 119 -11.858 -14.398 -19.998 1.00 55.43 O ATOM 1891 CB ARG A 119 -9.378 -12.403 -19.697 1.00 34.42 C ATOM 1892 CG ARG A 119 -8.182 -13.038 -19.006 1.00 12.01 C ATOM 1893 CD ARG A 119 -6.980 -13.119 -19.935 1.00 74.24 C ATOM 1894 NE ARG A 119 -5.942 -12.158 -19.570 1.00 63.02 N ATOM 1895 CZ ARG A 119 -5.949 -10.888 -19.957 1.00 41.21 C ATOM 1896 NH1 ARG A 119 -6.934 -10.427 -20.715 1.00 65.13 N1+ ATOM 1897 NH2 ARG A 119 -4.968 -10.075 -19.584 1.00 64.13 N ATOM 0 H ARG A 119 -9.560 -12.064 -17.252 1.00 45.44 H new ATOM 0 HA ARG A 119 -11.453 -11.941 -19.380 1.00 54.32 H new ATOM 0 HB2 ARG A 119 -9.481 -12.832 -20.694 1.00 34.42 H new ATOM 0 HB3 ARG A 119 -9.188 -11.337 -19.827 1.00 34.42 H new ATOM 0 HG2 ARG A 119 -7.921 -12.457 -18.121 1.00 12.01 H new ATOM 0 HG3 ARG A 119 -8.447 -14.038 -18.664 1.00 12.01 H new ATOM 0 HD2 ARG A 119 -6.567 -14.127 -19.907 1.00 74.24 H new ATOM 0 HD3 ARG A 119 -7.301 -12.935 -20.960 1.00 74.24 H new ATOM 0 HE ARG A 119 -5.170 -12.480 -18.986 1.00 63.02 H new ATOM 0 HH11 ARG A 119 -7.690 -11.049 -21.003 1.00 65.13 H new ATOM 0 HH12 ARG A 119 -6.936 -9.451 -21.010 1.00 65.13 H new ATOM 0 HH21 ARG A 119 -4.209 -10.426 -19.000 1.00 64.13 H new ATOM 0 HH22 ARG A 119 -4.973 -9.099 -19.881 1.00 64.13 H new ATOM 1911 N GLU A 120 -10.772 -14.854 -18.081 1.00 3.12 N ATOM 1912 CA GLU A 120 -11.151 -16.263 -18.074 1.00 33.03 C ATOM 1913 C GLU A 120 -12.620 -16.429 -17.696 1.00 32.20 C ATOM 1914 O GLU A 120 -13.370 -17.132 -18.373 1.00 44.34 O ATOM 1915 CB GLU A 120 -10.271 -17.046 -17.097 1.00 30.44 C ATOM 1916 CG GLU A 120 -8.883 -17.347 -17.637 1.00 1.51 C ATOM 1917 CD GLU A 120 -7.896 -17.704 -16.542 1.00 53.43 C ATOM 1918 OE1 GLU A 120 -8.245 -17.545 -15.353 1.00 71.34 O1- ATOM 1919 OE2 GLU A 120 -6.775 -18.142 -16.874 1.00 11.10 O ATOM 0 H GLU A 120 -10.195 -14.568 -17.290 1.00 3.12 H new ATOM 0 HA GLU A 120 -11.005 -16.657 -19.080 1.00 33.03 H new ATOM 0 HB2 GLU A 120 -10.177 -16.479 -16.171 1.00 30.44 H new ATOM 0 HB3 GLU A 120 -10.766 -17.984 -16.847 1.00 30.44 H new ATOM 0 HG2 GLU A 120 -8.945 -18.171 -18.348 1.00 1.51 H new ATOM 0 HG3 GLU A 120 -8.514 -16.480 -18.185 1.00 1.51 H new ATOM 1926 N ALA A 121 -13.024 -15.776 -16.611 1.00 41.02 N ATOM 1927 CA ALA A 121 -14.403 -15.850 -16.144 1.00 30.52 C ATOM 1928 C ALA A 121 -15.381 -15.529 -17.268 1.00 21.14 C ATOM 1929 O ALA A 121 -16.359 -16.247 -17.476 1.00 23.24 O ATOM 1930 CB ALA A 121 -14.614 -14.903 -14.971 1.00 61.44 C ATOM 0 H ALA A 121 -12.416 -15.190 -16.039 1.00 41.02 H new ATOM 0 HA ALA A 121 -14.594 -16.870 -15.812 1.00 30.52 H new ATOM 0 HB1 ALA A 121 -15.648 -14.968 -14.632 1.00 61.44 H new ATOM 0 HB2 ALA A 121 -13.947 -15.180 -14.155 1.00 61.44 H new ATOM 0 HB3 ALA A 121 -14.399 -13.882 -15.285 1.00 61.44 H new ATOM 1936 N GLU A 122 -15.111 -14.446 -17.990 1.00 33.52 N ATOM 1937 CA GLU A 122 -15.970 -14.030 -19.093 1.00 11.20 C ATOM 1938 C GLU A 122 -15.832 -14.981 -20.278 1.00 55.40 C ATOM 1939 O GLU A 122 -16.718 -15.061 -21.130 1.00 21.30 O ATOM 1940 CB GLU A 122 -15.626 -12.604 -19.527 1.00 64.21 C ATOM 1941 CG GLU A 122 -14.214 -12.455 -20.066 1.00 13.33 C ATOM 1942 CD GLU A 122 -14.104 -11.376 -21.126 1.00 3.12 C ATOM 1943 OE1 GLU A 122 -14.830 -11.462 -22.138 1.00 51.22 O1- ATOM 1944 OE2 GLU A 122 -13.292 -10.446 -20.942 1.00 65.03 O ATOM 0 H GLU A 122 -14.305 -13.841 -17.831 1.00 33.52 H new ATOM 0 HA GLU A 122 -17.003 -14.057 -18.746 1.00 11.20 H new ATOM 0 HB2 GLU A 122 -16.333 -12.286 -20.293 1.00 64.21 H new ATOM 0 HB3 GLU A 122 -15.754 -11.934 -18.677 1.00 64.21 H new ATOM 0 HG2 GLU A 122 -13.538 -12.221 -19.243 1.00 13.33 H new ATOM 0 HG3 GLU A 122 -13.887 -13.406 -20.486 1.00 13.33 H new ATOM 1951 N ARG A 123 -14.715 -15.700 -20.326 1.00 41.24 N ATOM 1952 CA ARG A 123 -14.460 -16.644 -21.407 1.00 72.40 C ATOM 1953 C ARG A 123 -15.505 -17.756 -21.416 1.00 72.21 C ATOM 1954 O ARG A 123 -15.919 -18.224 -22.476 1.00 44.14 O ATOM 1955 CB ARG A 123 -13.061 -17.246 -21.268 1.00 64.22 C ATOM 1956 CG ARG A 123 -12.520 -17.838 -22.559 1.00 70.24 C ATOM 1957 CD ARG A 123 -11.813 -16.787 -23.401 1.00 32.51 C ATOM 1958 NE ARG A 123 -10.899 -17.386 -24.369 1.00 10.34 N ATOM 1959 CZ ARG A 123 -9.677 -17.807 -24.063 1.00 11.52 C ATOM 1960 NH1 ARG A 123 -9.225 -17.696 -22.821 1.00 52.13 N1+ ATOM 1961 NH2 ARG A 123 -8.904 -18.341 -25.000 1.00 40.43 N ATOM 0 H ARG A 123 -13.972 -15.647 -19.629 1.00 41.24 H new ATOM 0 HA ARG A 123 -14.523 -16.102 -22.351 1.00 72.40 H new ATOM 0 HB2 ARG A 123 -12.376 -16.474 -20.918 1.00 64.22 H new ATOM 0 HB3 ARG A 123 -13.084 -18.023 -20.504 1.00 64.22 H new ATOM 0 HG2 ARG A 123 -11.827 -18.647 -22.327 1.00 70.24 H new ATOM 0 HG3 ARG A 123 -13.339 -18.274 -23.132 1.00 70.24 H new ATOM 0 HD2 ARG A 123 -12.554 -16.185 -23.927 1.00 32.51 H new ATOM 0 HD3 ARG A 123 -11.259 -16.112 -22.748 1.00 32.51 H new ATOM 0 HE ARG A 123 -11.216 -17.487 -25.333 1.00 10.34 H new ATOM 0 HH11 ARG A 123 -9.816 -17.286 -22.098 1.00 52.13 H new ATOM 0 HH12 ARG A 123 -8.286 -18.020 -22.589 1.00 52.13 H new ATOM 0 HH21 ARG A 123 -9.248 -18.428 -25.956 1.00 40.43 H new ATOM 0 HH22 ARG A 123 -7.966 -18.664 -24.764 1.00 40.43 H new ATOM 1975 N GLY A 124 -15.927 -18.174 -20.227 1.00 5.13 N ATOM 1976 CA GLY A 124 -16.919 -19.228 -20.120 1.00 42.31 C ATOM 1977 C GLY A 124 -16.727 -20.082 -18.883 1.00 72.23 C ATOM 1978 O GLY A 124 -17.495 -21.012 -18.637 1.00 21.50 O ATOM 0 H GLY A 124 -15.600 -17.802 -19.336 1.00 5.13 H new ATOM 0 HA2 GLY A 124 -17.915 -18.785 -20.101 1.00 42.31 H new ATOM 0 HA3 GLY A 124 -16.869 -19.861 -21.006 1.00 42.31 H new TER 1982 GLY A 124