USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1096 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 MET CE :methyl -147:sc= -0.832 (180deg=-1.01) USER MOD Set 1.2: A 76 MET CE :methyl -131:sc= -8.53! (180deg=-7.64!) USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 MET CE :methyl 144:sc= 0 (180deg=-0.34) USER MOD Set 3.1: A 5 THR OG1 : rot 150:sc= -1.19 USER MOD Set 3.2: A 8 GLN : amide:sc= -0.0696 K(o=-1.3,f=-5.8!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 14:sc= 0.46 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.0343 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00892 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0901 USER MOD Single : A 38 SER OG : rot -36:sc= 0.804 USER MOD Single : A 41 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.082) USER MOD Single : A 42 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.033) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 49 GLN : amide:sc= -0.165 K(o=-0.17,f=-2.3!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.23 K(o=-2.2,f=-6.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -155:sc= -0.0298 (180deg=-0.393) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= 0.91 (180deg=-0.104) USER MOD Single : A 79 THR OG1 : rot -65:sc= 1.17 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.147) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=-0.17) USER MOD Single : A 109 MET CE :methyl -174:sc= -2.38 (180deg=-2.52) USER MOD Single : A 110 THR OG1 : rot -90:sc= -2.23! USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.0017 (180deg=-0.397) USER MOD Single : A 117 THR OG1 : rot -77:sc= 0.0636 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.19) USER MOD Single : A 137 ASN : amide:sc= -4.96! C(o=-5!,f=-3.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.509 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 170:sc= -0.0217 (180deg=-0.2) USER MOD Single : A 145 MET CE :methyl -157:sc= -1.34 (180deg=-3.49) USER MOD Single : A 146 THR OG1 : rot 79:sc= -0.0364! USER MOD Single : A 148 LYS NZ :NH3+ -149:sc= -0.168 (180deg=-1.18!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.818 13.846 -11.464 1.00 1.11 N ATOM 2 CA ALA A 1 12.390 14.263 -11.375 1.00 1.52 C ATOM 3 C ALA A 1 11.801 13.766 -10.053 1.00 1.47 C ATOM 4 O ALA A 1 11.916 14.410 -9.029 1.00 2.18 O ATOM 5 CB ALA A 1 11.607 13.659 -12.543 1.00 2.53 C ATOM 0 H1 ALA A 1 14.222 14.182 -12.361 1.00 1.11 H new ATOM 0 H2 ALA A 1 14.350 14.256 -10.670 1.00 1.11 H new ATOM 0 H3 ALA A 1 13.880 12.809 -11.423 1.00 1.11 H new ATOM 0 HA ALA A 1 12.323 15.350 -11.420 1.00 1.52 H new ATOM 0 HB1 ALA A 1 10.563 13.964 -12.477 1.00 2.53 H new ATOM 0 HB2 ALA A 1 12.029 14.010 -13.484 1.00 2.53 H new ATOM 0 HB3 ALA A 1 11.671 12.572 -12.500 1.00 2.53 H new ATOM 13 N ASP A 2 11.169 12.623 -10.065 1.00 0.96 N ATOM 14 CA ASP A 2 10.574 12.082 -8.809 1.00 0.83 C ATOM 15 C ASP A 2 10.446 10.572 -8.927 1.00 0.58 C ATOM 16 O ASP A 2 9.734 9.926 -8.183 1.00 0.49 O ATOM 17 CB ASP A 2 9.195 12.692 -8.598 1.00 1.04 C ATOM 18 CG ASP A 2 8.630 12.231 -7.255 1.00 1.84 C ATOM 19 OD1 ASP A 2 9.045 12.770 -6.242 1.00 1.50 O ATOM 20 OD2 ASP A 2 7.790 11.345 -7.259 1.00 3.13 O ATOM 0 H ASP A 2 11.039 12.040 -10.892 1.00 0.96 H new ATOM 0 HA ASP A 2 11.214 12.331 -7.963 1.00 0.83 H new ATOM 0 HB2 ASP A 2 9.260 13.780 -8.622 1.00 1.04 H new ATOM 0 HB3 ASP A 2 8.527 12.394 -9.406 1.00 1.04 H new ATOM 25 N GLN A 3 11.136 10.020 -9.864 1.00 0.55 N ATOM 26 CA GLN A 3 11.078 8.538 -10.072 1.00 0.46 C ATOM 27 C GLN A 3 11.547 7.823 -8.809 1.00 0.21 C ATOM 28 O GLN A 3 12.386 8.310 -8.077 1.00 0.23 O ATOM 29 CB GLN A 3 11.967 8.113 -11.251 1.00 0.51 C ATOM 30 CG GLN A 3 11.447 8.769 -12.525 1.00 0.78 C ATOM 31 CD GLN A 3 12.427 8.522 -13.674 1.00 0.85 C ATOM 32 OE1 GLN A 3 13.379 9.259 -13.842 1.00 0.68 O ATOM 33 NE2 GLN A 3 12.235 7.511 -14.476 1.00 1.74 N ATOM 0 H GLN A 3 11.747 10.523 -10.508 1.00 0.55 H new ATOM 0 HA GLN A 3 10.046 8.266 -10.295 1.00 0.46 H new ATOM 0 HB2 GLN A 3 13.000 8.409 -11.070 1.00 0.51 H new ATOM 0 HB3 GLN A 3 11.960 7.028 -11.356 1.00 0.51 H new ATOM 0 HG2 GLN A 3 10.467 8.366 -12.778 1.00 0.78 H new ATOM 0 HG3 GLN A 3 11.320 9.840 -12.367 1.00 0.78 H new ATOM 0 HE21 GLN A 3 11.436 6.893 -14.335 1.00 1.74 H new ATOM 0 HE22 GLN A 3 12.884 7.339 -15.244 1.00 1.74 H new ATOM 42 N LEU A 4 11.005 6.670 -8.551 1.00 0.33 N ATOM 43 CA LEU A 4 11.404 5.907 -7.336 1.00 0.31 C ATOM 44 C LEU A 4 12.723 5.182 -7.595 1.00 0.35 C ATOM 45 O LEU A 4 12.928 4.600 -8.642 1.00 0.40 O ATOM 46 CB LEU A 4 10.319 4.874 -7.005 1.00 0.44 C ATOM 47 CG LEU A 4 8.956 5.574 -6.814 1.00 0.33 C ATOM 48 CD1 LEU A 4 7.824 4.593 -7.132 1.00 0.40 C ATOM 49 CD2 LEU A 4 8.809 6.052 -5.363 1.00 0.24 C ATOM 0 H LEU A 4 10.298 6.219 -9.132 1.00 0.33 H new ATOM 0 HA LEU A 4 11.525 6.597 -6.501 1.00 0.31 H new ATOM 0 HB2 LEU A 4 10.249 4.139 -7.807 1.00 0.44 H new ATOM 0 HB3 LEU A 4 10.588 4.332 -6.098 1.00 0.44 H new ATOM 0 HG LEU A 4 8.904 6.431 -7.486 1.00 0.33 H new ATOM 0 HD11 LEU A 4 6.863 5.090 -6.996 1.00 0.40 H new ATOM 0 HD12 LEU A 4 7.915 4.255 -8.164 1.00 0.40 H new ATOM 0 HD13 LEU A 4 7.887 3.735 -6.462 1.00 0.40 H new ATOM 0 HD21 LEU A 4 7.845 6.544 -5.238 1.00 0.24 H new ATOM 0 HD22 LEU A 4 8.869 5.197 -4.690 1.00 0.24 H new ATOM 0 HD23 LEU A 4 9.608 6.755 -5.129 1.00 0.24 H new ATOM 61 N THR A 5 13.620 5.201 -6.647 1.00 0.33 N ATOM 62 CA THR A 5 14.919 4.501 -6.840 1.00 0.37 C ATOM 63 C THR A 5 14.680 2.990 -6.808 1.00 0.32 C ATOM 64 O THR A 5 13.712 2.520 -6.244 1.00 0.27 O ATOM 65 CB THR A 5 15.884 4.895 -5.717 1.00 0.39 C ATOM 66 OG1 THR A 5 15.266 4.653 -4.460 1.00 0.37 O ATOM 67 CG2 THR A 5 16.233 6.380 -5.840 1.00 0.48 C ATOM 0 H THR A 5 13.508 5.671 -5.749 1.00 0.33 H new ATOM 0 HA THR A 5 15.353 4.783 -7.799 1.00 0.37 H new ATOM 0 HB THR A 5 16.796 4.303 -5.794 1.00 0.39 H new ATOM 0 HG1 THR A 5 15.952 4.433 -3.795 1.00 0.37 H new ATOM 0 HG21 THR A 5 16.919 6.660 -5.041 1.00 0.48 H new ATOM 0 HG22 THR A 5 16.705 6.564 -6.805 1.00 0.48 H new ATOM 0 HG23 THR A 5 15.323 6.975 -5.762 1.00 0.48 H new ATOM 75 N GLU A 6 15.545 2.222 -7.410 1.00 0.32 N ATOM 76 CA GLU A 6 15.356 0.745 -7.411 1.00 0.27 C ATOM 77 C GLU A 6 15.241 0.240 -5.973 1.00 0.20 C ATOM 78 O GLU A 6 14.401 -0.578 -5.656 1.00 0.09 O ATOM 79 CB GLU A 6 16.554 0.081 -8.093 1.00 0.31 C ATOM 80 CG GLU A 6 16.674 0.587 -9.538 1.00 0.38 C ATOM 81 CD GLU A 6 17.318 1.976 -9.549 1.00 1.97 C ATOM 82 OE1 GLU A 6 18.482 2.072 -9.198 1.00 2.59 O ATOM 83 OE2 GLU A 6 16.635 2.922 -9.909 1.00 3.06 O ATOM 0 H GLU A 6 16.375 2.554 -7.901 1.00 0.32 H new ATOM 0 HA GLU A 6 14.444 0.496 -7.953 1.00 0.27 H new ATOM 0 HB2 GLU A 6 17.468 0.304 -7.542 1.00 0.31 H new ATOM 0 HB3 GLU A 6 16.434 -1.002 -8.086 1.00 0.31 H new ATOM 0 HG2 GLU A 6 17.274 -0.107 -10.127 1.00 0.38 H new ATOM 0 HG3 GLU A 6 15.688 0.629 -10.001 1.00 0.38 H new ATOM 90 N GLU A 7 16.082 0.717 -5.101 1.00 0.40 N ATOM 91 CA GLU A 7 16.026 0.261 -3.682 1.00 0.40 C ATOM 92 C GLU A 7 14.684 0.660 -3.063 1.00 0.35 C ATOM 93 O GLU A 7 14.029 -0.134 -2.420 1.00 0.29 O ATOM 94 CB GLU A 7 17.165 0.905 -2.890 1.00 0.54 C ATOM 95 CG GLU A 7 18.494 0.266 -3.295 1.00 0.86 C ATOM 96 CD GLU A 7 19.622 0.849 -2.443 1.00 0.80 C ATOM 97 OE1 GLU A 7 19.589 2.042 -2.187 1.00 1.15 O ATOM 98 OE2 GLU A 7 20.502 0.096 -2.063 1.00 1.78 O ATOM 0 H GLU A 7 16.807 1.404 -5.308 1.00 0.40 H new ATOM 0 HA GLU A 7 16.130 -0.824 -3.650 1.00 0.40 H new ATOM 0 HB2 GLU A 7 17.193 1.978 -3.080 1.00 0.54 H new ATOM 0 HB3 GLU A 7 16.998 0.775 -1.821 1.00 0.54 H new ATOM 0 HG2 GLU A 7 18.445 -0.815 -3.162 1.00 0.86 H new ATOM 0 HG3 GLU A 7 18.690 0.449 -4.351 1.00 0.86 H new ATOM 105 N GLN A 8 14.270 1.887 -3.245 1.00 0.39 N ATOM 106 CA GLN A 8 12.972 2.325 -2.657 1.00 0.37 C ATOM 107 C GLN A 8 11.858 1.389 -3.131 1.00 0.32 C ATOM 108 O GLN A 8 10.979 1.024 -2.376 1.00 0.33 O ATOM 109 CB GLN A 8 12.666 3.766 -3.094 1.00 0.43 C ATOM 110 CG GLN A 8 13.470 4.749 -2.240 1.00 0.43 C ATOM 111 CD GLN A 8 13.393 6.144 -2.859 1.00 0.55 C ATOM 112 OE1 GLN A 8 12.873 6.312 -3.944 1.00 0.41 O ATOM 113 NE2 GLN A 8 13.892 7.162 -2.212 1.00 0.84 N ATOM 0 H GLN A 8 14.773 2.601 -3.773 1.00 0.39 H new ATOM 0 HA GLN A 8 13.034 2.289 -1.569 1.00 0.37 H new ATOM 0 HB2 GLN A 8 12.915 3.897 -4.147 1.00 0.43 H new ATOM 0 HB3 GLN A 8 11.600 3.968 -2.991 1.00 0.43 H new ATOM 0 HG2 GLN A 8 13.078 4.769 -1.223 1.00 0.43 H new ATOM 0 HG3 GLN A 8 14.509 4.425 -2.175 1.00 0.43 H new ATOM 0 HE21 GLN A 8 14.329 7.023 -1.301 1.00 0.84 H new ATOM 0 HE22 GLN A 8 13.845 8.097 -2.618 1.00 0.84 H new ATOM 122 N ILE A 9 11.887 0.991 -4.375 1.00 0.25 N ATOM 123 CA ILE A 9 10.830 0.073 -4.887 1.00 0.21 C ATOM 124 C ILE A 9 11.004 -1.304 -4.237 1.00 0.17 C ATOM 125 O ILE A 9 10.045 -1.983 -3.932 1.00 0.17 O ATOM 126 CB ILE A 9 10.956 -0.050 -6.413 1.00 0.16 C ATOM 127 CG1 ILE A 9 10.508 1.263 -7.063 1.00 0.16 C ATOM 128 CG2 ILE A 9 10.067 -1.191 -6.921 1.00 0.18 C ATOM 129 CD1 ILE A 9 10.887 1.260 -8.546 1.00 0.17 C ATOM 0 H ILE A 9 12.596 1.262 -5.057 1.00 0.25 H new ATOM 0 HA ILE A 9 9.844 0.468 -4.641 1.00 0.21 H new ATOM 0 HB ILE A 9 11.994 -0.260 -6.672 1.00 0.16 H new ATOM 0 HG12 ILE A 9 9.430 1.385 -6.953 1.00 0.16 H new ATOM 0 HG13 ILE A 9 10.977 2.108 -6.559 1.00 0.16 H new ATOM 0 HG21 ILE A 9 10.162 -1.272 -8.004 1.00 0.18 H new ATOM 0 HG22 ILE A 9 10.378 -2.128 -6.459 1.00 0.18 H new ATOM 0 HG23 ILE A 9 9.028 -0.986 -6.662 1.00 0.18 H new ATOM 0 HD11 ILE A 9 10.567 2.195 -9.005 1.00 0.17 H new ATOM 0 HD12 ILE A 9 11.968 1.158 -8.645 1.00 0.17 H new ATOM 0 HD13 ILE A 9 10.397 0.424 -9.045 1.00 0.17 H new ATOM 141 N ALA A 10 12.224 -1.722 -4.031 1.00 0.16 N ATOM 142 CA ALA A 10 12.463 -3.055 -3.412 1.00 0.17 C ATOM 143 C ALA A 10 12.125 -3.013 -1.923 1.00 0.27 C ATOM 144 O ALA A 10 11.677 -3.991 -1.363 1.00 0.38 O ATOM 145 CB ALA A 10 13.933 -3.440 -3.590 1.00 0.24 C ATOM 0 H ALA A 10 13.066 -1.196 -4.266 1.00 0.16 H new ATOM 0 HA ALA A 10 11.826 -3.793 -3.899 1.00 0.17 H new ATOM 0 HB1 ALA A 10 14.111 -4.416 -3.138 1.00 0.24 H new ATOM 0 HB2 ALA A 10 14.172 -3.484 -4.653 1.00 0.24 H new ATOM 0 HB3 ALA A 10 14.565 -2.695 -3.107 1.00 0.24 H new ATOM 151 N GLU A 11 12.318 -1.898 -1.274 1.00 0.24 N ATOM 152 CA GLU A 11 11.996 -1.818 0.166 1.00 0.34 C ATOM 153 C GLU A 11 10.482 -1.996 0.325 1.00 0.32 C ATOM 154 O GLU A 11 10.021 -2.788 1.122 1.00 0.35 O ATOM 155 CB GLU A 11 12.485 -0.443 0.684 1.00 0.46 C ATOM 156 CG GLU A 11 11.488 0.171 1.659 1.00 0.82 C ATOM 157 CD GLU A 11 12.132 1.357 2.379 1.00 0.60 C ATOM 158 OE1 GLU A 11 13.173 1.805 1.928 1.00 1.17 O ATOM 159 OE2 GLU A 11 11.572 1.799 3.371 1.00 1.49 O ATOM 0 H GLU A 11 12.686 -1.040 -1.686 1.00 0.24 H new ATOM 0 HA GLU A 11 12.489 -2.597 0.748 1.00 0.34 H new ATOM 0 HB2 GLU A 11 13.451 -0.560 1.175 1.00 0.46 H new ATOM 0 HB3 GLU A 11 12.635 0.232 -0.158 1.00 0.46 H new ATOM 0 HG2 GLU A 11 10.597 0.499 1.124 1.00 0.82 H new ATOM 0 HG3 GLU A 11 11.167 -0.576 2.385 1.00 0.82 H new ATOM 166 N PHE A 12 9.706 -1.280 -0.443 1.00 0.32 N ATOM 167 CA PHE A 12 8.231 -1.434 -0.340 1.00 0.35 C ATOM 168 C PHE A 12 7.857 -2.851 -0.766 1.00 0.31 C ATOM 169 O PHE A 12 6.873 -3.406 -0.317 1.00 0.29 O ATOM 170 CB PHE A 12 7.527 -0.434 -1.268 1.00 0.37 C ATOM 171 CG PHE A 12 8.102 0.967 -1.127 1.00 0.41 C ATOM 172 CD1 PHE A 12 8.443 1.491 0.132 1.00 0.60 C ATOM 173 CD2 PHE A 12 8.273 1.758 -2.273 1.00 0.51 C ATOM 174 CE1 PHE A 12 8.949 2.793 0.237 1.00 0.64 C ATOM 175 CE2 PHE A 12 8.782 3.053 -2.164 1.00 0.62 C ATOM 176 CZ PHE A 12 9.120 3.571 -0.911 1.00 0.58 C ATOM 0 H PHE A 12 10.029 -0.600 -1.132 1.00 0.32 H new ATOM 0 HA PHE A 12 7.920 -1.247 0.688 1.00 0.35 H new ATOM 0 HB2 PHE A 12 7.626 -0.765 -2.302 1.00 0.37 H new ATOM 0 HB3 PHE A 12 6.461 -0.414 -1.040 1.00 0.37 H new ATOM 0 HD1 PHE A 12 8.315 0.889 1.019 1.00 0.60 H new ATOM 0 HD2 PHE A 12 8.010 1.363 -3.243 1.00 0.51 H new ATOM 0 HE1 PHE A 12 9.207 3.196 1.205 1.00 0.64 H new ATOM 0 HE2 PHE A 12 8.915 3.656 -3.050 1.00 0.62 H new ATOM 0 HZ PHE A 12 9.514 4.573 -0.830 1.00 0.58 H new ATOM 186 N LYS A 13 8.633 -3.447 -1.629 1.00 0.31 N ATOM 187 CA LYS A 13 8.309 -4.827 -2.075 1.00 0.28 C ATOM 188 C LYS A 13 8.413 -5.779 -0.883 1.00 0.25 C ATOM 189 O LYS A 13 7.511 -6.548 -0.617 1.00 0.29 O ATOM 190 CB LYS A 13 9.279 -5.264 -3.177 1.00 0.28 C ATOM 191 CG LYS A 13 8.949 -6.704 -3.629 1.00 0.22 C ATOM 192 CD LYS A 13 9.343 -6.905 -5.106 1.00 0.31 C ATOM 193 CE LYS A 13 8.210 -6.433 -6.027 1.00 0.34 C ATOM 194 NZ LYS A 13 8.567 -6.729 -7.444 1.00 0.80 N ATOM 0 H LYS A 13 9.472 -3.039 -2.041 1.00 0.31 H new ATOM 0 HA LYS A 13 7.294 -4.850 -2.473 1.00 0.28 H new ATOM 0 HB2 LYS A 13 9.210 -4.583 -4.025 1.00 0.28 H new ATOM 0 HB3 LYS A 13 10.305 -5.215 -2.811 1.00 0.28 H new ATOM 0 HG2 LYS A 13 9.481 -7.420 -3.003 1.00 0.22 H new ATOM 0 HG3 LYS A 13 7.884 -6.898 -3.500 1.00 0.22 H new ATOM 0 HD2 LYS A 13 10.255 -6.349 -5.325 1.00 0.31 H new ATOM 0 HD3 LYS A 13 9.558 -7.957 -5.292 1.00 0.31 H new ATOM 0 HE2 LYS A 13 7.279 -6.935 -5.763 1.00 0.34 H new ATOM 0 HE3 LYS A 13 8.044 -5.363 -5.898 1.00 0.34 H new ATOM 0 HZ1 LYS A 13 7.800 -6.410 -8.069 1.00 0.80 H new ATOM 0 HZ2 LYS A 13 9.446 -6.231 -7.692 1.00 0.80 H new ATOM 0 HZ3 LYS A 13 8.705 -7.753 -7.561 1.00 0.80 H new ATOM 208 N GLU A 14 9.495 -5.733 -0.151 1.00 0.26 N ATOM 209 CA GLU A 14 9.615 -6.640 1.026 1.00 0.24 C ATOM 210 C GLU A 14 8.428 -6.393 1.956 1.00 0.21 C ATOM 211 O GLU A 14 7.801 -7.310 2.446 1.00 0.22 O ATOM 212 CB GLU A 14 10.923 -6.368 1.785 1.00 0.28 C ATOM 213 CG GLU A 14 12.085 -6.136 0.797 1.00 0.24 C ATOM 214 CD GLU A 14 13.401 -6.647 1.397 1.00 0.64 C ATOM 215 OE1 GLU A 14 14.063 -5.876 2.069 1.00 1.64 O ATOM 216 OE2 GLU A 14 13.721 -7.803 1.170 1.00 0.80 O ATOM 0 H GLU A 14 10.290 -5.115 -0.314 1.00 0.26 H new ATOM 0 HA GLU A 14 9.622 -7.675 0.684 1.00 0.24 H new ATOM 0 HB2 GLU A 14 10.803 -5.494 2.426 1.00 0.28 H new ATOM 0 HB3 GLU A 14 11.154 -7.211 2.436 1.00 0.28 H new ATOM 0 HG2 GLU A 14 11.881 -6.650 -0.142 1.00 0.24 H new ATOM 0 HG3 GLU A 14 12.170 -5.074 0.567 1.00 0.24 H new ATOM 223 N ALA A 15 8.122 -5.151 2.199 1.00 0.17 N ATOM 224 CA ALA A 15 6.979 -4.823 3.098 1.00 0.14 C ATOM 225 C ALA A 15 5.676 -5.319 2.470 1.00 0.14 C ATOM 226 O ALA A 15 4.749 -5.699 3.159 1.00 0.16 O ATOM 227 CB ALA A 15 6.904 -3.307 3.295 1.00 0.13 C ATOM 0 H ALA A 15 8.615 -4.345 1.813 1.00 0.17 H new ATOM 0 HA ALA A 15 7.125 -5.309 4.063 1.00 0.14 H new ATOM 0 HB1 ALA A 15 6.068 -3.066 3.952 1.00 0.13 H new ATOM 0 HB2 ALA A 15 7.832 -2.952 3.743 1.00 0.13 H new ATOM 0 HB3 ALA A 15 6.758 -2.821 2.330 1.00 0.13 H new ATOM 233 N PHE A 16 5.596 -5.314 1.171 1.00 0.13 N ATOM 234 CA PHE A 16 4.352 -5.779 0.494 1.00 0.13 C ATOM 235 C PHE A 16 4.246 -7.304 0.575 1.00 0.13 C ATOM 236 O PHE A 16 3.189 -7.850 0.819 1.00 0.12 O ATOM 237 CB PHE A 16 4.394 -5.351 -0.972 1.00 0.16 C ATOM 238 CG PHE A 16 3.029 -5.513 -1.591 1.00 0.16 C ATOM 239 CD1 PHE A 16 2.091 -4.478 -1.495 1.00 0.17 C ATOM 240 CD2 PHE A 16 2.706 -6.690 -2.275 1.00 0.17 C ATOM 241 CE1 PHE A 16 0.830 -4.623 -2.080 1.00 0.17 C ATOM 242 CE2 PHE A 16 1.445 -6.834 -2.865 1.00 0.19 C ATOM 243 CZ PHE A 16 0.509 -5.797 -2.766 1.00 0.18 C ATOM 0 H PHE A 16 6.340 -5.007 0.545 1.00 0.13 H new ATOM 0 HA PHE A 16 3.486 -5.338 0.988 1.00 0.13 H new ATOM 0 HB2 PHE A 16 4.717 -4.313 -1.048 1.00 0.16 H new ATOM 0 HB3 PHE A 16 5.123 -5.952 -1.515 1.00 0.16 H new ATOM 0 HD1 PHE A 16 2.342 -3.568 -0.969 1.00 0.17 H new ATOM 0 HD2 PHE A 16 3.430 -7.488 -2.348 1.00 0.17 H new ATOM 0 HE1 PHE A 16 0.104 -3.828 -2.002 1.00 0.17 H new ATOM 0 HE2 PHE A 16 1.195 -7.741 -3.395 1.00 0.19 H new ATOM 0 HZ PHE A 16 -0.464 -5.905 -3.221 1.00 0.18 H new ATOM 253 N SER A 17 5.331 -7.993 0.364 1.00 0.15 N ATOM 254 CA SER A 17 5.295 -9.483 0.417 1.00 0.16 C ATOM 255 C SER A 17 5.030 -9.953 1.850 1.00 0.09 C ATOM 256 O SER A 17 4.420 -10.979 2.073 1.00 0.05 O ATOM 257 CB SER A 17 6.638 -10.035 -0.058 1.00 0.22 C ATOM 258 OG SER A 17 7.690 -9.288 0.539 1.00 0.95 O ATOM 0 H SER A 17 6.244 -7.589 0.156 1.00 0.15 H new ATOM 0 HA SER A 17 4.495 -9.845 -0.229 1.00 0.16 H new ATOM 0 HB2 SER A 17 6.727 -11.088 0.210 1.00 0.22 H new ATOM 0 HB3 SER A 17 6.705 -9.975 -1.144 1.00 0.22 H new ATOM 0 HG SER A 17 7.333 -8.754 1.279 1.00 0.95 H new ATOM 264 N LEU A 18 5.495 -9.221 2.824 1.00 0.15 N ATOM 265 CA LEU A 18 5.281 -9.638 4.240 1.00 0.10 C ATOM 266 C LEU A 18 3.796 -9.945 4.480 1.00 0.04 C ATOM 267 O LEU A 18 3.451 -10.629 5.423 1.00 0.04 O ATOM 268 CB LEU A 18 5.736 -8.504 5.189 1.00 0.12 C ATOM 269 CG LEU A 18 7.226 -8.665 5.564 1.00 0.19 C ATOM 270 CD1 LEU A 18 7.676 -7.449 6.396 1.00 0.22 C ATOM 271 CD2 LEU A 18 7.442 -9.959 6.385 1.00 0.22 C ATOM 0 H LEU A 18 6.014 -8.352 2.702 1.00 0.15 H new ATOM 0 HA LEU A 18 5.866 -10.536 4.438 1.00 0.10 H new ATOM 0 HB2 LEU A 18 5.580 -7.538 4.709 1.00 0.12 H new ATOM 0 HB3 LEU A 18 5.126 -8.513 6.092 1.00 0.12 H new ATOM 0 HG LEU A 18 7.815 -8.728 4.649 1.00 0.19 H new ATOM 0 HD11 LEU A 18 8.727 -7.559 6.662 1.00 0.22 H new ATOM 0 HD12 LEU A 18 7.543 -6.539 5.811 1.00 0.22 H new ATOM 0 HD13 LEU A 18 7.076 -7.387 7.304 1.00 0.22 H new ATOM 0 HD21 LEU A 18 8.497 -10.056 6.640 1.00 0.22 H new ATOM 0 HD22 LEU A 18 6.850 -9.913 7.299 1.00 0.22 H new ATOM 0 HD23 LEU A 18 7.131 -10.821 5.794 1.00 0.22 H new ATOM 283 N PHE A 19 2.916 -9.434 3.653 1.00 0.07 N ATOM 284 CA PHE A 19 1.448 -9.683 3.852 1.00 0.07 C ATOM 285 C PHE A 19 0.834 -10.327 2.605 1.00 0.09 C ATOM 286 O PHE A 19 -0.366 -10.308 2.414 1.00 0.11 O ATOM 287 CB PHE A 19 0.765 -8.351 4.146 1.00 0.11 C ATOM 288 CG PHE A 19 1.395 -7.759 5.382 1.00 0.07 C ATOM 289 CD1 PHE A 19 2.593 -7.042 5.279 1.00 0.05 C ATOM 290 CD2 PHE A 19 0.792 -7.941 6.630 1.00 0.08 C ATOM 291 CE1 PHE A 19 3.186 -6.504 6.426 1.00 0.02 C ATOM 292 CE2 PHE A 19 1.383 -7.403 7.778 1.00 0.07 C ATOM 293 CZ PHE A 19 2.582 -6.684 7.676 1.00 0.03 C ATOM 0 H PHE A 19 3.149 -8.854 2.847 1.00 0.07 H new ATOM 0 HA PHE A 19 1.305 -10.368 4.687 1.00 0.07 H new ATOM 0 HB2 PHE A 19 0.877 -7.672 3.301 1.00 0.11 H new ATOM 0 HB3 PHE A 19 -0.304 -8.498 4.298 1.00 0.11 H new ATOM 0 HD1 PHE A 19 3.059 -6.904 4.315 1.00 0.05 H new ATOM 0 HD2 PHE A 19 -0.130 -8.497 6.708 1.00 0.08 H new ATOM 0 HE1 PHE A 19 4.110 -5.950 6.347 1.00 0.02 H new ATOM 0 HE2 PHE A 19 0.916 -7.541 8.742 1.00 0.07 H new ATOM 0 HZ PHE A 19 3.040 -6.269 8.562 1.00 0.03 H new ATOM 303 N ASP A 20 1.643 -10.925 1.771 1.00 0.10 N ATOM 304 CA ASP A 20 1.112 -11.601 0.547 1.00 0.12 C ATOM 305 C ASP A 20 1.035 -13.108 0.827 1.00 0.12 C ATOM 306 O ASP A 20 1.800 -13.890 0.297 1.00 0.13 O ATOM 307 CB ASP A 20 2.058 -11.351 -0.628 1.00 0.13 C ATOM 308 CG ASP A 20 1.545 -12.095 -1.863 1.00 0.16 C ATOM 309 OD1 ASP A 20 0.458 -11.772 -2.315 1.00 0.91 O ATOM 310 OD2 ASP A 20 2.245 -12.976 -2.334 1.00 1.21 O ATOM 0 H ASP A 20 2.655 -10.975 1.884 1.00 0.10 H new ATOM 0 HA ASP A 20 0.125 -11.210 0.299 1.00 0.12 H new ATOM 0 HB2 ASP A 20 2.124 -10.283 -0.835 1.00 0.13 H new ATOM 0 HB3 ASP A 20 3.063 -11.690 -0.378 1.00 0.13 H new ATOM 315 N LYS A 21 0.133 -13.515 1.682 1.00 0.11 N ATOM 316 CA LYS A 21 0.017 -14.963 2.035 1.00 0.11 C ATOM 317 C LYS A 21 -0.643 -15.753 0.909 1.00 0.16 C ATOM 318 O LYS A 21 -0.804 -16.955 0.992 1.00 0.19 O ATOM 319 CB LYS A 21 -0.833 -15.107 3.296 1.00 0.10 C ATOM 320 CG LYS A 21 -0.213 -14.302 4.449 1.00 0.07 C ATOM 321 CD LYS A 21 0.946 -15.082 5.077 1.00 0.04 C ATOM 322 CE LYS A 21 1.389 -14.381 6.364 1.00 0.12 C ATOM 323 NZ LYS A 21 2.610 -15.048 6.897 1.00 0.99 N ATOM 0 H LYS A 21 -0.533 -12.903 2.154 1.00 0.11 H new ATOM 0 HA LYS A 21 1.021 -15.356 2.199 1.00 0.11 H new ATOM 0 HB2 LYS A 21 -1.847 -14.756 3.102 1.00 0.10 H new ATOM 0 HB3 LYS A 21 -0.907 -16.158 3.575 1.00 0.10 H new ATOM 0 HG2 LYS A 21 0.144 -13.341 4.080 1.00 0.07 H new ATOM 0 HG3 LYS A 21 -0.971 -14.092 5.204 1.00 0.07 H new ATOM 0 HD2 LYS A 21 0.636 -16.104 5.294 1.00 0.04 H new ATOM 0 HD3 LYS A 21 1.780 -15.143 4.377 1.00 0.04 H new ATOM 0 HE2 LYS A 21 1.593 -13.329 6.166 1.00 0.12 H new ATOM 0 HE3 LYS A 21 0.590 -14.417 7.104 1.00 0.12 H new ATOM 0 HZ1 LYS A 21 2.912 -14.572 7.771 1.00 0.99 H new ATOM 0 HZ2 LYS A 21 2.400 -16.046 7.101 1.00 0.99 H new ATOM 0 HZ3 LYS A 21 3.372 -14.992 6.192 1.00 0.99 H new ATOM 337 N ASP A 22 -1.033 -15.090 -0.131 1.00 0.15 N ATOM 338 CA ASP A 22 -1.699 -15.788 -1.276 1.00 0.19 C ATOM 339 C ASP A 22 -0.689 -16.027 -2.400 1.00 0.20 C ATOM 340 O ASP A 22 -1.027 -16.545 -3.447 1.00 0.22 O ATOM 341 CB ASP A 22 -2.838 -14.911 -1.799 1.00 0.18 C ATOM 342 CG ASP A 22 -3.978 -14.897 -0.780 1.00 0.39 C ATOM 343 OD1 ASP A 22 -3.785 -15.427 0.302 1.00 0.96 O ATOM 344 OD2 ASP A 22 -5.024 -14.357 -1.099 1.00 1.02 O ATOM 0 H ASP A 22 -0.922 -14.083 -0.248 1.00 0.15 H new ATOM 0 HA ASP A 22 -2.090 -16.747 -0.937 1.00 0.19 H new ATOM 0 HB2 ASP A 22 -2.480 -13.897 -1.974 1.00 0.18 H new ATOM 0 HB3 ASP A 22 -3.195 -15.292 -2.756 1.00 0.18 H new ATOM 349 N GLY A 23 0.547 -15.662 -2.199 1.00 0.19 N ATOM 350 CA GLY A 23 1.567 -15.877 -3.264 1.00 0.21 C ATOM 351 C GLY A 23 1.025 -15.335 -4.586 1.00 0.19 C ATOM 352 O GLY A 23 1.485 -15.690 -5.653 1.00 0.20 O ATOM 0 H GLY A 23 0.895 -15.225 -1.345 1.00 0.19 H new ATOM 0 HA2 GLY A 23 2.497 -15.372 -3.003 1.00 0.21 H new ATOM 0 HA3 GLY A 23 1.796 -16.939 -3.358 1.00 0.21 H new ATOM 356 N ASP A 24 0.040 -14.478 -4.518 1.00 0.17 N ATOM 357 CA ASP A 24 -0.554 -13.901 -5.762 1.00 0.15 C ATOM 358 C ASP A 24 0.024 -12.505 -6.000 1.00 0.14 C ATOM 359 O ASP A 24 -0.361 -11.813 -6.921 1.00 0.10 O ATOM 360 CB ASP A 24 -2.073 -13.804 -5.597 1.00 0.14 C ATOM 361 CG ASP A 24 -2.721 -13.561 -6.962 1.00 0.13 C ATOM 362 OD1 ASP A 24 -2.818 -14.509 -7.725 1.00 1.18 O ATOM 363 OD2 ASP A 24 -3.106 -12.434 -7.222 1.00 0.94 O ATOM 0 H ASP A 24 -0.382 -14.151 -3.649 1.00 0.17 H new ATOM 0 HA ASP A 24 -0.319 -14.541 -6.613 1.00 0.15 H new ATOM 0 HB2 ASP A 24 -2.461 -14.723 -5.157 1.00 0.14 H new ATOM 0 HB3 ASP A 24 -2.324 -12.993 -4.914 1.00 0.14 H new ATOM 368 N GLY A 25 0.949 -12.086 -5.177 1.00 0.20 N ATOM 369 CA GLY A 25 1.549 -10.736 -5.366 1.00 0.19 C ATOM 370 C GLY A 25 0.517 -9.655 -5.016 1.00 0.18 C ATOM 371 O GLY A 25 0.557 -8.565 -5.552 1.00 0.18 O ATOM 0 H GLY A 25 1.312 -12.618 -4.386 1.00 0.20 H new ATOM 0 HA2 GLY A 25 2.431 -10.628 -4.734 1.00 0.19 H new ATOM 0 HA3 GLY A 25 1.879 -10.616 -6.398 1.00 0.19 H new ATOM 375 N THR A 26 -0.412 -9.940 -4.124 1.00 0.18 N ATOM 376 CA THR A 26 -1.441 -8.915 -3.754 1.00 0.18 C ATOM 377 C THR A 26 -1.709 -8.958 -2.247 1.00 0.18 C ATOM 378 O THR A 26 -1.324 -9.882 -1.560 1.00 0.17 O ATOM 379 CB THR A 26 -2.746 -9.200 -4.500 1.00 0.19 C ATOM 380 OG1 THR A 26 -3.305 -10.419 -4.028 1.00 0.17 O ATOM 381 CG2 THR A 26 -2.469 -9.306 -6.001 1.00 0.20 C ATOM 0 H THR A 26 -0.499 -10.834 -3.641 1.00 0.18 H new ATOM 0 HA THR A 26 -1.066 -7.929 -4.028 1.00 0.18 H new ATOM 0 HB THR A 26 -3.450 -8.387 -4.323 1.00 0.19 H new ATOM 0 HG1 THR A 26 -4.142 -10.601 -4.504 1.00 0.17 H new ATOM 0 HG21 THR A 26 -3.400 -9.509 -6.529 1.00 0.20 H new ATOM 0 HG22 THR A 26 -2.045 -8.368 -6.360 1.00 0.20 H new ATOM 0 HG23 THR A 26 -1.764 -10.117 -6.184 1.00 0.20 H new ATOM 389 N ILE A 27 -2.387 -7.961 -1.736 1.00 0.18 N ATOM 390 CA ILE A 27 -2.712 -7.921 -0.278 1.00 0.18 C ATOM 391 C ILE A 27 -4.135 -7.391 -0.117 1.00 0.19 C ATOM 392 O ILE A 27 -4.685 -6.795 -1.024 1.00 0.23 O ATOM 393 CB ILE A 27 -1.728 -6.994 0.455 1.00 0.17 C ATOM 394 CG1 ILE A 27 -1.809 -5.575 -0.134 1.00 0.18 C ATOM 395 CG2 ILE A 27 -0.305 -7.539 0.293 1.00 0.17 C ATOM 396 CD1 ILE A 27 -0.873 -4.634 0.633 1.00 0.17 C ATOM 0 H ILE A 27 -2.732 -7.165 -2.273 1.00 0.18 H new ATOM 0 HA ILE A 27 -2.631 -8.921 0.148 1.00 0.18 H new ATOM 0 HB ILE A 27 -1.987 -6.954 1.513 1.00 0.17 H new ATOM 0 HG12 ILE A 27 -1.534 -5.594 -1.189 1.00 0.18 H new ATOM 0 HG13 ILE A 27 -2.834 -5.207 -0.078 1.00 0.18 H new ATOM 0 HG21 ILE A 27 0.396 -6.885 0.811 1.00 0.17 H new ATOM 0 HG22 ILE A 27 -0.249 -8.541 0.718 1.00 0.17 H new ATOM 0 HG23 ILE A 27 -0.049 -7.579 -0.766 1.00 0.17 H new ATOM 0 HD11 ILE A 27 -0.937 -3.632 0.209 1.00 0.17 H new ATOM 0 HD12 ILE A 27 -1.167 -4.604 1.682 1.00 0.17 H new ATOM 0 HD13 ILE A 27 0.152 -4.996 0.554 1.00 0.17 H new ATOM 408 N THR A 28 -4.743 -7.594 1.016 1.00 0.18 N ATOM 409 CA THR A 28 -6.132 -7.089 1.211 1.00 0.20 C ATOM 410 C THR A 28 -6.094 -5.672 1.774 1.00 0.16 C ATOM 411 O THR A 28 -5.095 -5.224 2.298 1.00 0.10 O ATOM 412 CB THR A 28 -6.875 -7.979 2.199 1.00 0.22 C ATOM 413 OG1 THR A 28 -6.591 -7.551 3.525 1.00 0.20 O ATOM 414 CG2 THR A 28 -6.428 -9.427 2.027 1.00 0.26 C ATOM 0 H THR A 28 -4.342 -8.086 1.814 1.00 0.18 H new ATOM 0 HA THR A 28 -6.641 -7.096 0.247 1.00 0.20 H new ATOM 0 HB THR A 28 -7.947 -7.909 2.012 1.00 0.22 H new ATOM 0 HG1 THR A 28 -6.789 -8.277 4.153 1.00 0.20 H new ATOM 0 HG21 THR A 28 -6.962 -10.059 2.736 1.00 0.26 H new ATOM 0 HG22 THR A 28 -6.645 -9.757 1.011 1.00 0.26 H new ATOM 0 HG23 THR A 28 -5.356 -9.501 2.211 1.00 0.26 H new ATOM 422 N THR A 29 -7.189 -4.976 1.685 1.00 0.23 N ATOM 423 CA THR A 29 -7.238 -3.598 2.232 1.00 0.21 C ATOM 424 C THR A 29 -7.088 -3.661 3.748 1.00 0.18 C ATOM 425 O THR A 29 -6.560 -2.760 4.373 1.00 0.17 O ATOM 426 CB THR A 29 -8.593 -2.980 1.890 1.00 0.22 C ATOM 427 OG1 THR A 29 -9.624 -3.900 2.217 1.00 0.19 O ATOM 428 CG2 THR A 29 -8.652 -2.654 0.398 1.00 0.22 C ATOM 0 H THR A 29 -8.054 -5.304 1.256 1.00 0.23 H new ATOM 0 HA THR A 29 -6.435 -2.997 1.805 1.00 0.21 H new ATOM 0 HB THR A 29 -8.727 -2.062 2.462 1.00 0.22 H new ATOM 0 HG1 THR A 29 -10.495 -3.506 2.000 1.00 0.19 H new ATOM 0 HG21 THR A 29 -9.620 -2.214 0.160 1.00 0.22 H new ATOM 0 HG22 THR A 29 -7.861 -1.947 0.148 1.00 0.22 H new ATOM 0 HG23 THR A 29 -8.517 -3.568 -0.180 1.00 0.22 H new ATOM 436 N LYS A 30 -7.559 -4.717 4.346 1.00 0.20 N ATOM 437 CA LYS A 30 -7.463 -4.848 5.825 1.00 0.20 C ATOM 438 C LYS A 30 -5.997 -4.819 6.259 1.00 0.16 C ATOM 439 O LYS A 30 -5.678 -4.421 7.361 1.00 0.16 O ATOM 440 CB LYS A 30 -8.098 -6.168 6.263 1.00 0.27 C ATOM 441 CG LYS A 30 -9.595 -6.145 5.941 1.00 0.34 C ATOM 442 CD LYS A 30 -10.214 -7.513 6.254 1.00 0.78 C ATOM 443 CE LYS A 30 -10.129 -7.798 7.758 1.00 1.55 C ATOM 444 NZ LYS A 30 -11.168 -8.800 8.131 1.00 1.73 N ATOM 0 H LYS A 30 -8.009 -5.500 3.871 1.00 0.20 H new ATOM 0 HA LYS A 30 -7.990 -4.016 6.291 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -7.618 -7.002 5.752 1.00 0.27 H new ATOM 0 HB3 LYS A 30 -7.947 -6.320 7.332 1.00 0.27 H new ATOM 0 HG2 LYS A 30 -10.090 -5.369 6.525 1.00 0.34 H new ATOM 0 HG3 LYS A 30 -9.747 -5.899 4.890 1.00 0.34 H new ATOM 0 HD2 LYS A 30 -11.255 -7.533 5.931 1.00 0.78 H new ATOM 0 HD3 LYS A 30 -9.693 -8.292 5.698 1.00 0.78 H new ATOM 0 HE2 LYS A 30 -9.138 -8.173 8.013 1.00 1.55 H new ATOM 0 HE3 LYS A 30 -10.276 -6.877 8.323 1.00 1.55 H new ATOM 0 HZ1 LYS A 30 -11.112 -8.995 9.151 1.00 1.73 H new ATOM 0 HZ2 LYS A 30 -12.110 -8.425 7.901 1.00 1.73 H new ATOM 0 HZ3 LYS A 30 -11.007 -9.680 7.601 1.00 1.73 H new ATOM 458 N GLU A 31 -5.103 -5.243 5.405 1.00 0.14 N ATOM 459 CA GLU A 31 -3.648 -5.248 5.774 1.00 0.11 C ATOM 460 C GLU A 31 -2.948 -4.034 5.161 1.00 0.10 C ATOM 461 O GLU A 31 -1.737 -3.948 5.153 1.00 0.11 O ATOM 462 CB GLU A 31 -2.989 -6.526 5.251 1.00 0.10 C ATOM 463 CG GLU A 31 -3.763 -7.751 5.747 1.00 0.12 C ATOM 464 CD GLU A 31 -3.278 -8.995 5.001 1.00 0.12 C ATOM 465 OE1 GLU A 31 -3.399 -9.021 3.789 1.00 0.18 O ATOM 466 OE2 GLU A 31 -2.792 -9.902 5.657 1.00 0.16 O ATOM 0 H GLU A 31 -5.313 -5.587 4.468 1.00 0.14 H new ATOM 0 HA GLU A 31 -3.559 -5.206 6.860 1.00 0.11 H new ATOM 0 HB2 GLU A 31 -2.968 -6.515 4.161 1.00 0.10 H new ATOM 0 HB3 GLU A 31 -1.954 -6.577 5.590 1.00 0.10 H new ATOM 0 HG2 GLU A 31 -3.617 -7.877 6.820 1.00 0.12 H new ATOM 0 HG3 GLU A 31 -4.832 -7.610 5.585 1.00 0.12 H new ATOM 473 N LEU A 32 -3.691 -3.093 4.647 1.00 0.07 N ATOM 474 CA LEU A 32 -3.047 -1.893 4.042 1.00 0.07 C ATOM 475 C LEU A 32 -2.430 -1.035 5.153 1.00 0.06 C ATOM 476 O LEU A 32 -1.283 -0.641 5.079 1.00 0.08 O ATOM 477 CB LEU A 32 -4.093 -1.081 3.270 1.00 0.10 C ATOM 478 CG LEU A 32 -3.485 0.231 2.749 1.00 0.11 C ATOM 479 CD1 LEU A 32 -2.225 -0.062 1.922 1.00 0.11 C ATOM 480 CD2 LEU A 32 -4.519 0.948 1.874 1.00 0.11 C ATOM 0 H LEU A 32 -4.711 -3.102 4.620 1.00 0.07 H new ATOM 0 HA LEU A 32 -2.263 -2.206 3.352 1.00 0.07 H new ATOM 0 HB2 LEU A 32 -4.473 -1.669 2.434 1.00 0.10 H new ATOM 0 HB3 LEU A 32 -4.942 -0.862 3.918 1.00 0.10 H new ATOM 0 HG LEU A 32 -3.211 0.863 3.594 1.00 0.11 H new ATOM 0 HD11 LEU A 32 -1.803 0.875 1.558 1.00 0.11 H new ATOM 0 HD12 LEU A 32 -1.491 -0.573 2.545 1.00 0.11 H new ATOM 0 HD13 LEU A 32 -2.485 -0.696 1.075 1.00 0.11 H new ATOM 0 HD21 LEU A 32 -4.096 1.880 1.500 1.00 0.11 H new ATOM 0 HD22 LEU A 32 -4.790 0.309 1.033 1.00 0.11 H new ATOM 0 HD23 LEU A 32 -5.408 1.165 2.466 1.00 0.11 H new ATOM 492 N GLY A 33 -3.179 -0.742 6.182 1.00 0.08 N ATOM 493 CA GLY A 33 -2.630 0.086 7.290 1.00 0.13 C ATOM 494 C GLY A 33 -1.451 -0.638 7.942 1.00 0.09 C ATOM 495 O GLY A 33 -0.507 -0.021 8.391 1.00 0.04 O ATOM 0 H GLY A 33 -4.147 -1.041 6.302 1.00 0.08 H new ATOM 0 HA2 GLY A 33 -2.307 1.054 6.907 1.00 0.13 H new ATOM 0 HA3 GLY A 33 -3.406 0.278 8.031 1.00 0.13 H new ATOM 499 N THR A 34 -1.495 -1.943 8.004 1.00 0.17 N ATOM 500 CA THR A 34 -0.370 -2.689 8.636 1.00 0.15 C ATOM 501 C THR A 34 0.890 -2.533 7.786 1.00 0.14 C ATOM 502 O THR A 34 1.975 -2.342 8.299 1.00 0.13 O ATOM 503 CB THR A 34 -0.740 -4.174 8.753 1.00 0.17 C ATOM 504 OG1 THR A 34 -2.062 -4.288 9.259 1.00 0.27 O ATOM 505 CG2 THR A 34 0.233 -4.881 9.702 1.00 0.14 C ATOM 0 H THR A 34 -2.256 -2.520 7.647 1.00 0.17 H new ATOM 0 HA THR A 34 -0.182 -2.287 9.632 1.00 0.15 H new ATOM 0 HB THR A 34 -0.680 -4.640 7.769 1.00 0.17 H new ATOM 0 HG1 THR A 34 -2.303 -5.235 9.334 1.00 0.27 H new ATOM 0 HG21 THR A 34 -0.036 -5.934 9.780 1.00 0.14 H new ATOM 0 HG22 THR A 34 1.248 -4.793 9.314 1.00 0.14 H new ATOM 0 HG23 THR A 34 0.180 -4.419 10.688 1.00 0.14 H new ATOM 513 N VAL A 35 0.758 -2.601 6.492 1.00 0.14 N ATOM 514 CA VAL A 35 1.951 -2.444 5.612 1.00 0.13 C ATOM 515 C VAL A 35 2.460 -1.006 5.730 1.00 0.13 C ATOM 516 O VAL A 35 3.641 -0.759 5.893 1.00 0.11 O ATOM 517 CB VAL A 35 1.556 -2.737 4.162 1.00 0.15 C ATOM 518 CG1 VAL A 35 2.736 -2.442 3.235 1.00 0.15 C ATOM 519 CG2 VAL A 35 1.165 -4.210 4.029 1.00 0.17 C ATOM 0 H VAL A 35 -0.124 -2.758 6.004 1.00 0.14 H new ATOM 0 HA VAL A 35 2.735 -3.139 5.914 1.00 0.13 H new ATOM 0 HB VAL A 35 0.712 -2.106 3.885 1.00 0.15 H new ATOM 0 HG11 VAL A 35 2.450 -2.652 2.204 1.00 0.15 H new ATOM 0 HG12 VAL A 35 3.018 -1.393 3.327 1.00 0.15 H new ATOM 0 HG13 VAL A 35 3.582 -3.070 3.512 1.00 0.15 H new ATOM 0 HG21 VAL A 35 0.884 -4.420 2.997 1.00 0.17 H new ATOM 0 HG22 VAL A 35 2.011 -4.838 4.309 1.00 0.17 H new ATOM 0 HG23 VAL A 35 0.322 -4.423 4.686 1.00 0.17 H new ATOM 529 N MET A 36 1.573 -0.055 5.657 1.00 0.19 N ATOM 530 CA MET A 36 1.992 1.369 5.774 1.00 0.20 C ATOM 531 C MET A 36 2.633 1.589 7.146 1.00 0.23 C ATOM 532 O MET A 36 3.556 2.365 7.293 1.00 0.27 O ATOM 533 CB MET A 36 0.766 2.283 5.637 1.00 0.21 C ATOM 534 CG MET A 36 0.285 2.339 4.180 1.00 0.28 C ATOM 535 SD MET A 36 -0.684 3.854 3.933 1.00 1.47 S ATOM 536 CE MET A 36 0.065 4.380 2.371 1.00 0.23 C ATOM 0 H MET A 36 0.573 -0.202 5.521 1.00 0.19 H new ATOM 0 HA MET A 36 2.707 1.604 4.986 1.00 0.20 H new ATOM 0 HB2 MET A 36 -0.038 1.918 6.276 1.00 0.21 H new ATOM 0 HB3 MET A 36 1.015 3.287 5.981 1.00 0.21 H new ATOM 0 HG2 MET A 36 1.138 2.323 3.501 1.00 0.28 H new ATOM 0 HG3 MET A 36 -0.321 1.463 3.950 1.00 0.28 H new ATOM 0 HE1 MET A 36 -0.398 5.310 2.040 1.00 0.23 H new ATOM 0 HE2 MET A 36 1.134 4.538 2.515 1.00 0.23 H new ATOM 0 HE3 MET A 36 -0.089 3.609 1.616 1.00 0.23 H new ATOM 546 N ARG A 37 2.148 0.915 8.154 1.00 0.21 N ATOM 547 CA ARG A 37 2.730 1.093 9.515 1.00 0.25 C ATOM 548 C ARG A 37 4.116 0.447 9.578 1.00 0.28 C ATOM 549 O ARG A 37 4.973 0.878 10.324 1.00 0.31 O ATOM 550 CB ARG A 37 1.798 0.458 10.555 1.00 0.34 C ATOM 551 CG ARG A 37 0.644 1.419 10.858 1.00 0.35 C ATOM 552 CD ARG A 37 -0.305 0.789 11.876 1.00 0.82 C ATOM 553 NE ARG A 37 -0.973 -0.396 11.267 1.00 2.20 N ATOM 554 CZ ARG A 37 -1.600 -1.251 12.022 1.00 2.67 C ATOM 555 NH1 ARG A 37 -1.625 -1.083 13.317 1.00 2.07 N ATOM 556 NH2 ARG A 37 -2.199 -2.280 11.487 1.00 4.10 N ATOM 0 H ARG A 37 1.376 0.251 8.094 1.00 0.21 H new ATOM 0 HA ARG A 37 2.833 2.156 9.731 1.00 0.25 H new ATOM 0 HB2 ARG A 37 1.409 -0.489 10.181 1.00 0.34 H new ATOM 0 HB3 ARG A 37 2.351 0.237 11.468 1.00 0.34 H new ATOM 0 HG2 ARG A 37 1.035 2.359 11.246 1.00 0.35 H new ATOM 0 HG3 ARG A 37 0.104 1.653 9.941 1.00 0.35 H new ATOM 0 HD2 ARG A 37 0.247 0.490 12.767 1.00 0.82 H new ATOM 0 HD3 ARG A 37 -1.051 1.518 12.193 1.00 0.82 H new ATOM 0 HE ARG A 37 -0.939 -0.537 10.257 1.00 2.20 H new ATOM 0 HH11 ARG A 37 -1.153 -0.282 13.737 1.00 2.07 H new ATOM 0 HH12 ARG A 37 -2.116 -1.753 13.909 1.00 2.07 H new ATOM 0 HH21 ARG A 37 -2.176 -2.415 10.476 1.00 4.10 H new ATOM 0 HH22 ARG A 37 -2.690 -2.949 12.080 1.00 4.10 H new ATOM 570 N SER A 38 4.354 -0.572 8.803 1.00 0.28 N ATOM 571 CA SER A 38 5.694 -1.215 8.833 1.00 0.34 C ATOM 572 C SER A 38 6.732 -0.240 8.268 1.00 0.27 C ATOM 573 O SER A 38 7.892 -0.284 8.621 1.00 0.23 O ATOM 574 CB SER A 38 5.667 -2.493 7.993 1.00 0.44 C ATOM 575 OG SER A 38 5.392 -2.160 6.639 1.00 0.67 O ATOM 0 H SER A 38 3.684 -0.985 8.154 1.00 0.28 H new ATOM 0 HA SER A 38 5.958 -1.470 9.859 1.00 0.34 H new ATOM 0 HB2 SER A 38 6.624 -3.009 8.065 1.00 0.44 H new ATOM 0 HB3 SER A 38 4.907 -3.176 8.373 1.00 0.44 H new ATOM 0 HG SER A 38 4.758 -1.414 6.608 1.00 0.67 H new ATOM 581 N LEU A 39 6.321 0.644 7.394 1.00 0.26 N ATOM 582 CA LEU A 39 7.286 1.624 6.808 1.00 0.20 C ATOM 583 C LEU A 39 7.451 2.820 7.752 1.00 0.11 C ATOM 584 O LEU A 39 8.203 3.734 7.478 1.00 0.08 O ATOM 585 CB LEU A 39 6.764 2.116 5.454 1.00 0.20 C ATOM 586 CG LEU A 39 6.348 0.920 4.593 1.00 0.30 C ATOM 587 CD1 LEU A 39 5.715 1.423 3.294 1.00 0.34 C ATOM 588 CD2 LEU A 39 7.577 0.063 4.262 1.00 0.34 C ATOM 0 H LEU A 39 5.361 0.730 7.061 1.00 0.26 H new ATOM 0 HA LEU A 39 8.250 1.134 6.672 1.00 0.20 H new ATOM 0 HB2 LEU A 39 5.914 2.782 5.602 1.00 0.20 H new ATOM 0 HB3 LEU A 39 7.536 2.692 4.944 1.00 0.20 H new ATOM 0 HG LEU A 39 5.626 0.316 5.143 1.00 0.30 H new ATOM 0 HD11 LEU A 39 5.419 0.572 2.680 1.00 0.34 H new ATOM 0 HD12 LEU A 39 4.837 2.026 3.527 1.00 0.34 H new ATOM 0 HD13 LEU A 39 6.438 2.030 2.748 1.00 0.34 H new ATOM 0 HD21 LEU A 39 7.274 -0.786 3.649 1.00 0.34 H new ATOM 0 HD22 LEU A 39 8.303 0.664 3.715 1.00 0.34 H new ATOM 0 HD23 LEU A 39 8.028 -0.299 5.186 1.00 0.34 H new ATOM 600 N GLY A 40 6.769 2.818 8.869 1.00 0.14 N ATOM 601 CA GLY A 40 6.904 3.952 9.838 1.00 0.13 C ATOM 602 C GLY A 40 5.867 5.046 9.549 1.00 0.13 C ATOM 603 O GLY A 40 5.997 6.164 10.008 1.00 0.16 O ATOM 0 H GLY A 40 6.124 2.081 9.154 1.00 0.14 H new ATOM 0 HA2 GLY A 40 6.775 3.583 10.856 1.00 0.13 H new ATOM 0 HA3 GLY A 40 7.908 4.371 9.775 1.00 0.13 H new ATOM 607 N GLN A 41 4.832 4.740 8.804 1.00 0.14 N ATOM 608 CA GLN A 41 3.780 5.768 8.499 1.00 0.15 C ATOM 609 C GLN A 41 2.560 5.512 9.390 1.00 0.19 C ATOM 610 O GLN A 41 2.267 4.386 9.730 1.00 0.25 O ATOM 611 CB GLN A 41 3.371 5.650 7.031 1.00 0.13 C ATOM 612 CG GLN A 41 4.620 5.714 6.149 1.00 0.26 C ATOM 613 CD GLN A 41 5.314 7.064 6.343 1.00 1.16 C ATOM 614 OE1 GLN A 41 4.961 8.037 5.709 1.00 1.33 O ATOM 615 NE2 GLN A 41 6.295 7.163 7.199 1.00 2.52 N ATOM 0 H GLN A 41 4.668 3.821 8.392 1.00 0.14 H new ATOM 0 HA GLN A 41 4.171 6.768 8.688 1.00 0.15 H new ATOM 0 HB2 GLN A 41 2.842 4.712 6.864 1.00 0.13 H new ATOM 0 HB3 GLN A 41 2.685 6.455 6.767 1.00 0.13 H new ATOM 0 HG2 GLN A 41 5.301 4.903 6.406 1.00 0.26 H new ATOM 0 HG3 GLN A 41 4.346 5.581 5.102 1.00 0.26 H new ATOM 0 HE21 GLN A 41 6.591 6.345 7.732 1.00 2.52 H new ATOM 0 HE22 GLN A 41 6.765 8.058 7.335 1.00 2.52 H new ATOM 624 N ASN A 42 1.848 6.543 9.780 1.00 0.19 N ATOM 625 CA ASN A 42 0.647 6.343 10.659 1.00 0.22 C ATOM 626 C ASN A 42 -0.538 7.181 10.154 1.00 0.16 C ATOM 627 O ASN A 42 -0.886 8.171 10.768 1.00 0.24 O ATOM 628 CB ASN A 42 0.993 6.783 12.085 1.00 0.36 C ATOM 629 CG ASN A 42 -0.123 6.353 13.040 1.00 0.37 C ATOM 630 OD1 ASN A 42 -0.652 7.161 13.778 1.00 1.35 O ATOM 631 ND2 ASN A 42 -0.505 5.105 13.061 1.00 0.75 N ATOM 0 H ASN A 42 2.044 7.512 9.530 1.00 0.19 H new ATOM 0 HA ASN A 42 0.369 5.289 10.641 1.00 0.22 H new ATOM 0 HB2 ASN A 42 1.940 6.340 12.393 1.00 0.36 H new ATOM 0 HB3 ASN A 42 1.120 7.865 12.122 1.00 0.36 H new ATOM 0 HD21 ASN A 42 -1.246 4.809 13.696 1.00 0.75 H new ATOM 0 HD22 ASN A 42 -0.062 4.426 12.442 1.00 0.75 H new ATOM 638 N PRO A 43 -1.140 6.761 9.063 1.00 0.07 N ATOM 639 CA PRO A 43 -2.301 7.476 8.499 1.00 0.15 C ATOM 640 C PRO A 43 -3.523 7.228 9.395 1.00 0.15 C ATOM 641 O PRO A 43 -3.692 6.153 9.935 1.00 0.17 O ATOM 642 CB PRO A 43 -2.503 6.850 7.099 1.00 0.20 C ATOM 643 CG PRO A 43 -1.576 5.601 7.010 1.00 0.17 C ATOM 644 CD PRO A 43 -0.723 5.562 8.301 1.00 0.09 C ATOM 0 HA PRO A 43 -2.158 8.555 8.437 1.00 0.15 H new ATOM 0 HB2 PRO A 43 -3.545 6.566 6.952 1.00 0.20 H new ATOM 0 HB3 PRO A 43 -2.255 7.569 6.318 1.00 0.20 H new ATOM 0 HG2 PRO A 43 -2.168 4.691 6.914 1.00 0.17 H new ATOM 0 HG3 PRO A 43 -0.936 5.660 6.129 1.00 0.17 H new ATOM 0 HD2 PRO A 43 -0.905 4.649 8.868 1.00 0.09 H new ATOM 0 HD3 PRO A 43 0.342 5.589 8.073 1.00 0.09 H new ATOM 652 N THR A 44 -4.382 8.198 9.553 1.00 0.14 N ATOM 653 CA THR A 44 -5.579 7.974 10.410 1.00 0.14 C ATOM 654 C THR A 44 -6.521 7.001 9.709 1.00 0.14 C ATOM 655 O THR A 44 -6.327 6.648 8.562 1.00 0.15 O ATOM 656 CB THR A 44 -6.317 9.293 10.654 1.00 0.13 C ATOM 657 OG1 THR A 44 -6.552 9.940 9.412 1.00 0.06 O ATOM 658 CG2 THR A 44 -5.473 10.195 11.555 1.00 0.18 C ATOM 0 H THR A 44 -4.308 9.124 9.132 1.00 0.14 H new ATOM 0 HA THR A 44 -5.256 7.565 11.367 1.00 0.14 H new ATOM 0 HB THR A 44 -7.270 9.091 11.142 1.00 0.13 H new ATOM 0 HG1 THR A 44 -7.026 10.784 9.567 1.00 0.06 H new ATOM 0 HG21 THR A 44 -6.000 11.133 11.727 1.00 0.18 H new ATOM 0 HG22 THR A 44 -5.299 9.696 12.508 1.00 0.18 H new ATOM 0 HG23 THR A 44 -4.517 10.399 11.073 1.00 0.18 H new ATOM 666 N GLU A 45 -7.538 6.564 10.389 1.00 0.14 N ATOM 667 CA GLU A 45 -8.494 5.612 9.767 1.00 0.14 C ATOM 668 C GLU A 45 -9.179 6.268 8.568 1.00 0.13 C ATOM 669 O GLU A 45 -9.352 5.654 7.535 1.00 0.12 O ATOM 670 CB GLU A 45 -9.545 5.220 10.805 1.00 0.15 C ATOM 671 CG GLU A 45 -8.865 4.516 11.984 1.00 0.28 C ATOM 672 CD GLU A 45 -8.186 5.553 12.881 1.00 2.24 C ATOM 673 OE1 GLU A 45 -8.859 6.485 13.290 1.00 3.33 O ATOM 674 OE2 GLU A 45 -7.005 5.399 13.143 1.00 2.93 O ATOM 0 H GLU A 45 -7.750 6.825 11.352 1.00 0.14 H new ATOM 0 HA GLU A 45 -7.958 4.726 9.426 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -10.074 6.107 11.154 1.00 0.15 H new ATOM 0 HB3 GLU A 45 -10.288 4.562 10.355 1.00 0.15 H new ATOM 0 HG2 GLU A 45 -9.601 3.952 12.557 1.00 0.28 H new ATOM 0 HG3 GLU A 45 -8.129 3.800 11.618 1.00 0.28 H new ATOM 681 N ALA A 46 -9.572 7.504 8.692 1.00 0.14 N ATOM 682 CA ALA A 46 -10.245 8.176 7.546 1.00 0.13 C ATOM 683 C ALA A 46 -9.267 8.276 6.376 1.00 0.13 C ATOM 684 O ALA A 46 -9.633 8.070 5.236 1.00 0.14 O ATOM 685 CB ALA A 46 -10.716 9.574 7.966 1.00 0.11 C ATOM 0 H ALA A 46 -9.458 8.075 9.530 1.00 0.14 H new ATOM 0 HA ALA A 46 -11.114 7.594 7.239 1.00 0.13 H new ATOM 0 HB1 ALA A 46 -11.208 10.061 7.124 1.00 0.11 H new ATOM 0 HB2 ALA A 46 -11.418 9.488 8.795 1.00 0.11 H new ATOM 0 HB3 ALA A 46 -9.857 10.169 8.278 1.00 0.11 H new ATOM 691 N GLU A 47 -8.021 8.567 6.639 1.00 0.13 N ATOM 692 CA GLU A 47 -7.042 8.649 5.524 1.00 0.15 C ATOM 693 C GLU A 47 -6.997 7.290 4.833 1.00 0.15 C ATOM 694 O GLU A 47 -6.911 7.194 3.624 1.00 0.17 O ATOM 695 CB GLU A 47 -5.654 8.991 6.073 1.00 0.14 C ATOM 696 CG GLU A 47 -5.585 10.481 6.412 1.00 0.15 C ATOM 697 CD GLU A 47 -4.165 10.844 6.844 1.00 0.20 C ATOM 698 OE1 GLU A 47 -3.363 11.150 5.974 1.00 0.59 O ATOM 699 OE2 GLU A 47 -3.902 10.812 8.034 1.00 0.11 O ATOM 0 H GLU A 47 -7.644 8.749 7.569 1.00 0.13 H new ATOM 0 HA GLU A 47 -7.340 9.426 4.819 1.00 0.15 H new ATOM 0 HB2 GLU A 47 -5.448 8.396 6.963 1.00 0.14 H new ATOM 0 HB3 GLU A 47 -4.890 8.740 5.338 1.00 0.14 H new ATOM 0 HG2 GLU A 47 -5.875 11.075 5.545 1.00 0.15 H new ATOM 0 HG3 GLU A 47 -6.290 10.716 7.210 1.00 0.15 H new ATOM 706 N LEU A 48 -7.061 6.231 5.596 1.00 0.14 N ATOM 707 CA LEU A 48 -7.030 4.871 4.994 1.00 0.15 C ATOM 708 C LEU A 48 -8.345 4.610 4.250 1.00 0.14 C ATOM 709 O LEU A 48 -8.349 4.126 3.137 1.00 0.15 O ATOM 710 CB LEU A 48 -6.864 3.825 6.107 1.00 0.17 C ATOM 711 CG LEU A 48 -5.396 3.756 6.566 1.00 0.20 C ATOM 712 CD1 LEU A 48 -5.301 2.852 7.805 1.00 0.33 C ATOM 713 CD2 LEU A 48 -4.500 3.189 5.441 1.00 0.10 C ATOM 0 H LEU A 48 -7.134 6.252 6.613 1.00 0.14 H new ATOM 0 HA LEU A 48 -6.195 4.803 4.296 1.00 0.15 H new ATOM 0 HB2 LEU A 48 -7.504 4.079 6.952 1.00 0.17 H new ATOM 0 HB3 LEU A 48 -7.185 2.848 5.747 1.00 0.17 H new ATOM 0 HG LEU A 48 -5.051 4.761 6.808 1.00 0.20 H new ATOM 0 HD11 LEU A 48 -4.264 2.797 8.137 1.00 0.33 H new ATOM 0 HD12 LEU A 48 -5.917 3.264 8.604 1.00 0.33 H new ATOM 0 HD13 LEU A 48 -5.655 1.852 7.554 1.00 0.33 H new ATOM 0 HD21 LEU A 48 -3.466 3.148 5.785 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.835 2.185 5.180 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -4.565 3.833 4.564 1.00 0.10 H new ATOM 725 N GLN A 49 -9.460 4.909 4.859 1.00 0.12 N ATOM 726 CA GLN A 49 -10.768 4.653 4.192 1.00 0.11 C ATOM 727 C GLN A 49 -10.905 5.521 2.940 1.00 0.12 C ATOM 728 O GLN A 49 -11.652 5.204 2.037 1.00 0.13 O ATOM 729 CB GLN A 49 -11.905 4.979 5.165 1.00 0.12 C ATOM 730 CG GLN A 49 -12.045 3.856 6.200 1.00 0.17 C ATOM 731 CD GLN A 49 -12.756 2.657 5.566 1.00 0.97 C ATOM 732 OE1 GLN A 49 -13.341 2.773 4.508 1.00 1.63 O ATOM 733 NE2 GLN A 49 -12.730 1.504 6.175 1.00 1.64 N ATOM 0 H GLN A 49 -9.522 5.320 5.791 1.00 0.12 H new ATOM 0 HA GLN A 49 -10.818 3.604 3.901 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -11.705 5.925 5.667 1.00 0.12 H new ATOM 0 HB3 GLN A 49 -12.840 5.100 4.618 1.00 0.12 H new ATOM 0 HG2 GLN A 49 -11.061 3.558 6.563 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -12.609 4.211 7.063 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -12.238 1.408 7.064 1.00 1.64 H new ATOM 0 HE22 GLN A 49 -13.201 0.699 5.763 1.00 1.64 H new ATOM 742 N ASP A 50 -10.198 6.609 2.878 1.00 0.13 N ATOM 743 CA ASP A 50 -10.303 7.485 1.676 1.00 0.17 C ATOM 744 C ASP A 50 -9.626 6.795 0.498 1.00 0.22 C ATOM 745 O ASP A 50 -10.154 6.746 -0.595 1.00 0.20 O ATOM 746 CB ASP A 50 -9.617 8.825 1.952 1.00 0.24 C ATOM 747 CG ASP A 50 -10.295 9.513 3.139 1.00 1.11 C ATOM 748 OD1 ASP A 50 -11.507 9.421 3.237 1.00 1.85 O ATOM 749 OD2 ASP A 50 -9.591 10.118 3.929 1.00 2.08 O ATOM 0 H ASP A 50 -9.555 6.932 3.601 1.00 0.13 H new ATOM 0 HA ASP A 50 -11.353 7.665 1.443 1.00 0.17 H new ATOM 0 HB2 ASP A 50 -8.560 8.667 2.165 1.00 0.24 H new ATOM 0 HB3 ASP A 50 -9.672 9.462 1.069 1.00 0.24 H new ATOM 754 N MET A 51 -8.463 6.251 0.712 1.00 0.29 N ATOM 755 CA MET A 51 -7.759 5.553 -0.394 1.00 0.37 C ATOM 756 C MET A 51 -8.552 4.300 -0.765 1.00 0.36 C ATOM 757 O MET A 51 -8.657 3.939 -1.918 1.00 0.39 O ATOM 758 CB MET A 51 -6.351 5.160 0.058 1.00 0.50 C ATOM 759 CG MET A 51 -5.594 6.401 0.539 1.00 0.55 C ATOM 760 SD MET A 51 -3.817 6.055 0.557 1.00 0.70 S ATOM 761 CE MET A 51 -3.747 5.302 2.200 1.00 0.57 C ATOM 0 H MET A 51 -7.970 6.260 1.605 1.00 0.29 H new ATOM 0 HA MET A 51 -7.680 6.211 -1.259 1.00 0.37 H new ATOM 0 HB2 MET A 51 -6.409 4.425 0.861 1.00 0.50 H new ATOM 0 HB3 MET A 51 -5.813 4.691 -0.766 1.00 0.50 H new ATOM 0 HG2 MET A 51 -5.804 7.245 -0.117 1.00 0.55 H new ATOM 0 HG3 MET A 51 -5.931 6.681 1.537 1.00 0.55 H new ATOM 0 HE1 MET A 51 -3.018 4.492 2.198 1.00 0.57 H new ATOM 0 HE2 MET A 51 -3.453 6.054 2.932 1.00 0.57 H new ATOM 0 HE3 MET A 51 -4.728 4.906 2.461 1.00 0.57 H new ATOM 771 N ILE A 52 -9.118 3.643 0.209 1.00 0.33 N ATOM 772 CA ILE A 52 -9.912 2.420 -0.085 1.00 0.36 C ATOM 773 C ILE A 52 -11.085 2.791 -0.989 1.00 0.30 C ATOM 774 O ILE A 52 -11.375 2.112 -1.948 1.00 0.30 O ATOM 775 CB ILE A 52 -10.436 1.823 1.229 1.00 0.36 C ATOM 776 CG1 ILE A 52 -9.253 1.242 2.018 1.00 0.38 C ATOM 777 CG2 ILE A 52 -11.461 0.719 0.926 1.00 0.38 C ATOM 778 CD1 ILE A 52 -9.722 0.683 3.366 1.00 0.46 C ATOM 0 H ILE A 52 -9.065 3.901 1.194 1.00 0.33 H new ATOM 0 HA ILE A 52 -9.285 1.683 -0.587 1.00 0.36 H new ATOM 0 HB ILE A 52 -10.923 2.599 1.820 1.00 0.36 H new ATOM 0 HG12 ILE A 52 -8.775 0.452 1.438 1.00 0.38 H new ATOM 0 HG13 ILE A 52 -8.503 2.016 2.181 1.00 0.38 H new ATOM 0 HG21 ILE A 52 -11.830 0.298 1.861 1.00 0.38 H new ATOM 0 HG22 ILE A 52 -12.294 1.141 0.364 1.00 0.38 H new ATOM 0 HG23 ILE A 52 -10.987 -0.066 0.337 1.00 0.38 H new ATOM 0 HD11 ILE A 52 -8.868 0.277 3.908 1.00 0.46 H new ATOM 0 HD12 ILE A 52 -10.178 1.481 3.952 1.00 0.46 H new ATOM 0 HD13 ILE A 52 -10.454 -0.107 3.198 1.00 0.46 H new ATOM 790 N ASN A 53 -11.771 3.850 -0.679 1.00 0.26 N ATOM 791 CA ASN A 53 -12.938 4.252 -1.513 1.00 0.21 C ATOM 792 C ASN A 53 -12.493 4.426 -2.970 1.00 0.19 C ATOM 793 O ASN A 53 -13.257 4.222 -3.893 1.00 0.29 O ATOM 794 CB ASN A 53 -13.530 5.571 -0.962 1.00 0.18 C ATOM 795 CG ASN A 53 -15.061 5.550 -1.062 1.00 0.50 C ATOM 796 OD1 ASN A 53 -15.723 4.901 -0.277 1.00 1.26 O ATOM 797 ND2 ASN A 53 -15.651 6.238 -2.002 1.00 0.81 N ATOM 0 H ASN A 53 -11.576 4.458 0.117 1.00 0.26 H new ATOM 0 HA ASN A 53 -13.705 3.479 -1.475 1.00 0.21 H new ATOM 0 HB2 ASN A 53 -13.228 5.707 0.077 1.00 0.18 H new ATOM 0 HB3 ASN A 53 -13.134 6.418 -1.523 1.00 0.18 H new ATOM 0 HD21 ASN A 53 -16.668 6.231 -2.077 1.00 0.81 H new ATOM 0 HD22 ASN A 53 -15.095 6.783 -2.661 1.00 0.81 H new ATOM 804 N GLU A 54 -11.265 4.803 -3.177 1.00 0.23 N ATOM 805 CA GLU A 54 -10.766 4.995 -4.573 1.00 0.20 C ATOM 806 C GLU A 54 -10.393 3.645 -5.188 1.00 0.32 C ATOM 807 O GLU A 54 -10.806 3.310 -6.282 1.00 0.37 O ATOM 808 CB GLU A 54 -9.532 5.912 -4.552 1.00 0.36 C ATOM 809 CG GLU A 54 -9.974 7.375 -4.447 1.00 0.34 C ATOM 810 CD GLU A 54 -8.759 8.251 -4.132 1.00 1.19 C ATOM 811 OE1 GLU A 54 -7.662 7.855 -4.483 1.00 1.49 O ATOM 812 OE2 GLU A 54 -8.949 9.303 -3.540 1.00 1.92 O ATOM 0 H GLU A 54 -10.582 4.988 -2.443 1.00 0.23 H new ATOM 0 HA GLU A 54 -11.552 5.452 -5.174 1.00 0.20 H new ATOM 0 HB2 GLU A 54 -8.891 5.655 -3.709 1.00 0.36 H new ATOM 0 HB3 GLU A 54 -8.943 5.765 -5.457 1.00 0.36 H new ATOM 0 HG2 GLU A 54 -10.435 7.695 -5.381 1.00 0.34 H new ATOM 0 HG3 GLU A 54 -10.727 7.484 -3.667 1.00 0.34 H new ATOM 819 N VAL A 55 -9.602 2.883 -4.501 1.00 0.47 N ATOM 820 CA VAL A 55 -9.176 1.561 -5.046 1.00 0.66 C ATOM 821 C VAL A 55 -10.350 0.605 -5.089 1.00 0.70 C ATOM 822 O VAL A 55 -10.427 -0.291 -5.906 1.00 0.85 O ATOM 823 CB VAL A 55 -8.096 0.965 -4.161 1.00 0.81 C ATOM 824 CG1 VAL A 55 -7.596 -0.322 -4.802 1.00 0.93 C ATOM 825 CG2 VAL A 55 -6.948 1.960 -4.027 1.00 0.80 C ATOM 0 H VAL A 55 -9.227 3.114 -3.581 1.00 0.47 H new ATOM 0 HA VAL A 55 -8.793 1.712 -6.055 1.00 0.66 H new ATOM 0 HB VAL A 55 -8.496 0.749 -3.170 1.00 0.81 H new ATOM 0 HG11 VAL A 55 -6.819 -0.762 -4.177 1.00 0.93 H new ATOM 0 HG12 VAL A 55 -8.423 -1.025 -4.901 1.00 0.93 H new ATOM 0 HG13 VAL A 55 -7.187 -0.102 -5.788 1.00 0.93 H new ATOM 0 HG21 VAL A 55 -6.171 1.535 -3.392 1.00 0.80 H new ATOM 0 HG22 VAL A 55 -6.535 2.174 -5.013 1.00 0.80 H new ATOM 0 HG23 VAL A 55 -7.317 2.883 -3.580 1.00 0.80 H new ATOM 835 N ASP A 56 -11.259 0.803 -4.207 1.00 0.59 N ATOM 836 CA ASP A 56 -12.465 -0.073 -4.148 1.00 0.67 C ATOM 837 C ASP A 56 -13.435 0.388 -5.225 1.00 0.73 C ATOM 838 O ASP A 56 -14.638 0.402 -5.052 1.00 0.78 O ATOM 839 CB ASP A 56 -13.127 0.034 -2.771 1.00 0.56 C ATOM 840 CG ASP A 56 -14.403 -0.808 -2.753 1.00 0.71 C ATOM 841 OD1 ASP A 56 -14.337 -1.957 -3.158 1.00 0.82 O ATOM 842 OD2 ASP A 56 -15.426 -0.290 -2.335 1.00 1.85 O ATOM 0 H ASP A 56 -11.231 1.543 -3.506 1.00 0.59 H new ATOM 0 HA ASP A 56 -12.182 -1.113 -4.312 1.00 0.67 H new ATOM 0 HB2 ASP A 56 -12.440 -0.310 -1.998 1.00 0.56 H new ATOM 0 HB3 ASP A 56 -13.362 1.075 -2.548 1.00 0.56 H new ATOM 847 N ALA A 57 -12.896 0.771 -6.339 1.00 0.76 N ATOM 848 CA ALA A 57 -13.731 1.246 -7.468 1.00 0.85 C ATOM 849 C ALA A 57 -14.303 0.045 -8.215 1.00 1.07 C ATOM 850 O ALA A 57 -15.342 0.118 -8.841 1.00 1.22 O ATOM 851 CB ALA A 57 -12.850 2.089 -8.395 1.00 0.80 C ATOM 0 H ALA A 57 -11.892 0.776 -6.520 1.00 0.76 H new ATOM 0 HA ALA A 57 -14.561 1.852 -7.106 1.00 0.85 H new ATOM 0 HB1 ALA A 57 -13.445 2.449 -9.234 1.00 0.80 H new ATOM 0 HB2 ALA A 57 -12.450 2.939 -7.843 1.00 0.80 H new ATOM 0 HB3 ALA A 57 -12.027 1.479 -8.769 1.00 0.80 H new ATOM 857 N ASP A 58 -13.632 -1.063 -8.135 1.00 1.13 N ATOM 858 CA ASP A 58 -14.115 -2.294 -8.810 1.00 1.34 C ATOM 859 C ASP A 58 -15.206 -2.933 -7.954 1.00 1.33 C ATOM 860 O ASP A 58 -15.981 -3.743 -8.419 1.00 1.49 O ATOM 861 CB ASP A 58 -12.956 -3.277 -9.025 1.00 1.44 C ATOM 862 CG ASP A 58 -13.434 -4.437 -9.899 1.00 1.74 C ATOM 863 OD1 ASP A 58 -13.690 -4.205 -11.070 1.00 2.19 O ATOM 864 OD2 ASP A 58 -13.537 -5.539 -9.384 1.00 1.84 O ATOM 0 H ASP A 58 -12.756 -1.171 -7.623 1.00 1.13 H new ATOM 0 HA ASP A 58 -14.524 -2.037 -9.787 1.00 1.34 H new ATOM 0 HB2 ASP A 58 -12.117 -2.770 -9.501 1.00 1.44 H new ATOM 0 HB3 ASP A 58 -12.599 -3.652 -8.066 1.00 1.44 H new ATOM 869 N GLY A 59 -15.261 -2.576 -6.702 1.00 1.15 N ATOM 870 CA GLY A 59 -16.294 -3.163 -5.796 1.00 1.13 C ATOM 871 C GLY A 59 -15.772 -4.479 -5.204 1.00 1.10 C ATOM 872 O GLY A 59 -16.481 -5.464 -5.154 1.00 1.01 O ATOM 0 H GLY A 59 -14.634 -1.901 -6.263 1.00 1.15 H new ATOM 0 HA2 GLY A 59 -16.531 -2.462 -4.996 1.00 1.13 H new ATOM 0 HA3 GLY A 59 -17.217 -3.342 -6.348 1.00 1.13 H new ATOM 876 N ASN A 60 -14.534 -4.507 -4.756 1.00 1.25 N ATOM 877 CA ASN A 60 -13.959 -5.757 -4.169 1.00 1.26 C ATOM 878 C ASN A 60 -13.292 -5.425 -2.840 1.00 1.24 C ATOM 879 O ASN A 60 -13.914 -5.426 -1.797 1.00 2.25 O ATOM 880 CB ASN A 60 -12.918 -6.331 -5.134 1.00 1.26 C ATOM 881 CG ASN A 60 -13.615 -6.812 -6.408 1.00 1.69 C ATOM 882 OD1 ASN A 60 -14.798 -6.601 -6.583 1.00 2.54 O ATOM 883 ND2 ASN A 60 -12.927 -7.454 -7.311 1.00 1.43 N ATOM 0 H ASN A 60 -13.897 -3.711 -4.774 1.00 1.25 H new ATOM 0 HA ASN A 60 -14.750 -6.489 -4.007 1.00 1.26 H new ATOM 0 HB2 ASN A 60 -12.175 -5.572 -5.378 1.00 1.26 H new ATOM 0 HB3 ASN A 60 -12.387 -7.158 -4.663 1.00 1.26 H new ATOM 0 HD21 ASN A 60 -13.383 -7.779 -8.164 1.00 1.43 H new ATOM 0 HD22 ASN A 60 -11.933 -7.631 -7.164 1.00 1.43 H new ATOM 890 N GLY A 61 -12.028 -5.136 -2.884 1.00 0.13 N ATOM 891 CA GLY A 61 -11.274 -4.787 -1.630 1.00 0.30 C ATOM 892 C GLY A 61 -9.871 -5.433 -1.631 1.00 0.26 C ATOM 893 O GLY A 61 -9.497 -6.083 -0.674 1.00 0.26 O ATOM 0 H GLY A 61 -11.469 -5.123 -3.737 1.00 0.13 H new ATOM 0 HA2 GLY A 61 -11.180 -3.704 -1.547 1.00 0.30 H new ATOM 0 HA3 GLY A 61 -11.834 -5.126 -0.758 1.00 0.30 H new ATOM 897 N THR A 62 -9.087 -5.267 -2.677 1.00 0.29 N ATOM 898 CA THR A 62 -7.723 -5.875 -2.704 1.00 0.26 C ATOM 899 C THR A 62 -6.751 -4.874 -3.341 1.00 0.24 C ATOM 900 O THR A 62 -7.163 -3.935 -3.993 1.00 0.28 O ATOM 901 CB THR A 62 -7.760 -7.151 -3.545 1.00 0.35 C ATOM 902 OG1 THR A 62 -7.855 -6.805 -4.919 1.00 0.69 O ATOM 903 CG2 THR A 62 -8.970 -7.995 -3.143 1.00 0.86 C ATOM 0 H THR A 62 -9.339 -4.735 -3.510 1.00 0.29 H new ATOM 0 HA THR A 62 -7.398 -6.115 -1.692 1.00 0.26 H new ATOM 0 HB THR A 62 -6.849 -7.726 -3.376 1.00 0.35 H new ATOM 0 HG1 THR A 62 -7.877 -7.621 -5.461 1.00 0.69 H new ATOM 0 HG21 THR A 62 -8.995 -8.904 -3.743 1.00 0.86 H new ATOM 0 HG22 THR A 62 -8.895 -8.259 -2.088 1.00 0.86 H new ATOM 0 HG23 THR A 62 -9.883 -7.424 -3.311 1.00 0.86 H new ATOM 911 N ILE A 63 -5.465 -5.059 -3.159 1.00 0.20 N ATOM 912 CA ILE A 63 -4.470 -4.111 -3.758 1.00 0.21 C ATOM 913 C ILE A 63 -3.273 -4.901 -4.292 1.00 0.21 C ATOM 914 O ILE A 63 -2.744 -5.767 -3.626 1.00 0.20 O ATOM 915 CB ILE A 63 -3.997 -3.135 -2.670 1.00 0.18 C ATOM 916 CG1 ILE A 63 -5.185 -2.796 -1.758 1.00 0.17 C ATOM 917 CG2 ILE A 63 -3.437 -1.850 -3.301 1.00 0.19 C ATOM 918 CD1 ILE A 63 -4.809 -1.665 -0.797 1.00 0.14 C ATOM 0 H ILE A 63 -5.061 -5.826 -2.621 1.00 0.20 H new ATOM 0 HA ILE A 63 -4.930 -3.557 -4.577 1.00 0.21 H new ATOM 0 HB ILE A 63 -3.202 -3.602 -2.088 1.00 0.18 H new ATOM 0 HG12 ILE A 63 -6.043 -2.500 -2.361 1.00 0.17 H new ATOM 0 HG13 ILE A 63 -5.482 -3.679 -1.193 1.00 0.17 H new ATOM 0 HG21 ILE A 63 -3.107 -1.172 -2.514 1.00 0.19 H new ATOM 0 HG22 ILE A 63 -2.592 -2.098 -3.943 1.00 0.19 H new ATOM 0 HG23 ILE A 63 -4.214 -1.367 -3.894 1.00 0.19 H new ATOM 0 HD11 ILE A 63 -5.660 -1.434 -0.156 1.00 0.14 H new ATOM 0 HD12 ILE A 63 -3.965 -1.976 -0.182 1.00 0.14 H new ATOM 0 HD13 ILE A 63 -4.534 -0.778 -1.368 1.00 0.14 H new ATOM 930 N ASP A 64 -2.834 -4.591 -5.481 1.00 0.21 N ATOM 931 CA ASP A 64 -1.652 -5.295 -6.072 1.00 0.21 C ATOM 932 C ASP A 64 -0.412 -4.394 -5.897 1.00 0.21 C ATOM 933 O ASP A 64 -0.533 -3.238 -5.540 1.00 0.20 O ATOM 934 CB ASP A 64 -1.932 -5.595 -7.556 1.00 0.24 C ATOM 935 CG ASP A 64 -2.099 -4.289 -8.343 1.00 0.23 C ATOM 936 OD1 ASP A 64 -1.705 -3.255 -7.835 1.00 0.33 O ATOM 937 OD2 ASP A 64 -2.619 -4.350 -9.445 1.00 0.15 O ATOM 0 H ASP A 64 -3.246 -3.873 -6.077 1.00 0.21 H new ATOM 0 HA ASP A 64 -1.467 -6.244 -5.569 1.00 0.21 H new ATOM 0 HB2 ASP A 64 -1.113 -6.178 -7.977 1.00 0.24 H new ATOM 0 HB3 ASP A 64 -2.834 -6.200 -7.647 1.00 0.24 H new ATOM 942 N PHE A 65 0.775 -4.913 -6.094 1.00 0.21 N ATOM 943 CA PHE A 65 2.004 -4.074 -5.882 1.00 0.20 C ATOM 944 C PHE A 65 2.073 -2.839 -6.817 1.00 0.24 C ATOM 945 O PHE A 65 2.404 -1.774 -6.337 1.00 0.25 O ATOM 946 CB PHE A 65 3.277 -4.938 -6.002 1.00 0.21 C ATOM 947 CG PHE A 65 4.490 -4.159 -5.525 1.00 0.21 C ATOM 948 CD1 PHE A 65 4.576 -3.719 -4.193 1.00 0.62 C ATOM 949 CD2 PHE A 65 5.540 -3.882 -6.414 1.00 0.62 C ATOM 950 CE1 PHE A 65 5.701 -3.008 -3.760 1.00 0.65 C ATOM 951 CE2 PHE A 65 6.664 -3.171 -5.978 1.00 0.60 C ATOM 952 CZ PHE A 65 6.744 -2.734 -4.651 1.00 0.23 C ATOM 0 H PHE A 65 0.950 -5.873 -6.390 1.00 0.21 H new ATOM 0 HA PHE A 65 1.940 -3.677 -4.869 1.00 0.20 H new ATOM 0 HB2 PHE A 65 3.165 -5.847 -5.411 1.00 0.21 H new ATOM 0 HB3 PHE A 65 3.419 -5.247 -7.038 1.00 0.21 H new ATOM 0 HD1 PHE A 65 3.773 -3.930 -3.503 1.00 0.62 H new ATOM 0 HD2 PHE A 65 5.481 -4.219 -7.438 1.00 0.62 H new ATOM 0 HE1 PHE A 65 5.764 -2.670 -2.736 1.00 0.65 H new ATOM 0 HE2 PHE A 65 7.470 -2.960 -6.666 1.00 0.60 H new ATOM 0 HZ PHE A 65 7.611 -2.185 -4.315 1.00 0.23 H new ATOM 962 N PRO A 66 1.769 -2.956 -8.102 1.00 0.26 N ATOM 963 CA PRO A 66 1.830 -1.768 -8.974 1.00 0.30 C ATOM 964 C PRO A 66 0.960 -0.653 -8.374 1.00 0.28 C ATOM 965 O PRO A 66 1.399 0.465 -8.202 1.00 0.27 O ATOM 966 CB PRO A 66 1.301 -2.241 -10.347 1.00 0.35 C ATOM 967 CG PRO A 66 1.044 -3.773 -10.241 1.00 0.33 C ATOM 968 CD PRO A 66 1.353 -4.200 -8.787 1.00 0.26 C ATOM 0 HA PRO A 66 2.836 -1.360 -9.073 1.00 0.30 H new ATOM 0 HB2 PRO A 66 0.383 -1.714 -10.607 1.00 0.35 H new ATOM 0 HB3 PRO A 66 2.025 -2.026 -11.133 1.00 0.35 H new ATOM 0 HG2 PRO A 66 0.011 -4.006 -10.497 1.00 0.33 H new ATOM 0 HG3 PRO A 66 1.677 -4.317 -10.942 1.00 0.33 H new ATOM 0 HD2 PRO A 66 0.477 -4.639 -8.310 1.00 0.26 H new ATOM 0 HD3 PRO A 66 2.143 -4.951 -8.756 1.00 0.26 H new ATOM 976 N GLU A 67 -0.268 -0.957 -8.044 1.00 0.26 N ATOM 977 CA GLU A 67 -1.152 0.082 -7.446 1.00 0.23 C ATOM 978 C GLU A 67 -0.567 0.522 -6.104 1.00 0.21 C ATOM 979 O GLU A 67 -0.709 1.659 -5.702 1.00 0.20 O ATOM 980 CB GLU A 67 -2.557 -0.488 -7.232 1.00 0.23 C ATOM 981 CG GLU A 67 -3.196 -0.798 -8.587 1.00 0.25 C ATOM 982 CD GLU A 67 -4.505 -1.560 -8.372 1.00 0.24 C ATOM 983 OE1 GLU A 67 -4.547 -2.389 -7.476 1.00 0.25 O ATOM 984 OE2 GLU A 67 -5.446 -1.304 -9.105 1.00 0.31 O ATOM 0 H GLU A 67 -0.694 -1.876 -8.163 1.00 0.26 H new ATOM 0 HA GLU A 67 -1.216 0.937 -8.119 1.00 0.23 H new ATOM 0 HB2 GLU A 67 -2.505 -1.393 -6.627 1.00 0.23 H new ATOM 0 HB3 GLU A 67 -3.171 0.227 -6.684 1.00 0.23 H new ATOM 0 HG2 GLU A 67 -3.387 0.127 -9.131 1.00 0.25 H new ATOM 0 HG3 GLU A 67 -2.513 -1.391 -9.196 1.00 0.25 H new ATOM 991 N PHE A 68 0.101 -0.361 -5.407 1.00 0.22 N ATOM 992 CA PHE A 68 0.695 0.042 -4.107 1.00 0.20 C ATOM 993 C PHE A 68 1.774 1.087 -4.377 1.00 0.22 C ATOM 994 O PHE A 68 1.940 2.030 -3.629 1.00 0.21 O ATOM 995 CB PHE A 68 1.302 -1.170 -3.384 1.00 0.18 C ATOM 996 CG PHE A 68 1.719 -0.755 -1.993 1.00 0.17 C ATOM 997 CD1 PHE A 68 0.780 -0.752 -0.955 1.00 0.16 C ATOM 998 CD2 PHE A 68 3.039 -0.357 -1.745 1.00 0.17 C ATOM 999 CE1 PHE A 68 1.161 -0.354 0.333 1.00 0.15 C ATOM 1000 CE2 PHE A 68 3.417 0.043 -0.456 1.00 0.16 C ATOM 1001 CZ PHE A 68 2.479 0.046 0.581 1.00 0.15 C ATOM 0 H PHE A 68 0.257 -1.331 -5.681 1.00 0.22 H new ATOM 0 HA PHE A 68 -0.081 0.457 -3.464 1.00 0.20 H new ATOM 0 HB2 PHE A 68 0.575 -1.981 -3.333 1.00 0.18 H new ATOM 0 HB3 PHE A 68 2.162 -1.547 -3.938 1.00 0.18 H new ATOM 0 HD1 PHE A 68 -0.238 -1.057 -1.147 1.00 0.16 H new ATOM 0 HD2 PHE A 68 3.764 -0.358 -2.545 1.00 0.17 H new ATOM 0 HE1 PHE A 68 0.437 -0.356 1.135 1.00 0.15 H new ATOM 0 HE2 PHE A 68 4.435 0.349 -0.263 1.00 0.16 H new ATOM 0 HZ PHE A 68 2.772 0.357 1.573 1.00 0.15 H new ATOM 1011 N LEU A 69 2.496 0.941 -5.457 1.00 0.25 N ATOM 1012 CA LEU A 69 3.546 1.945 -5.783 1.00 0.28 C ATOM 1013 C LEU A 69 2.869 3.269 -6.140 1.00 0.28 C ATOM 1014 O LEU A 69 3.437 4.331 -5.973 1.00 0.30 O ATOM 1015 CB LEU A 69 4.380 1.467 -6.981 1.00 0.30 C ATOM 1016 CG LEU A 69 5.158 0.194 -6.632 1.00 0.24 C ATOM 1017 CD1 LEU A 69 5.988 -0.224 -7.850 1.00 0.30 C ATOM 1018 CD2 LEU A 69 6.094 0.443 -5.435 1.00 0.27 C ATOM 0 H LEU A 69 2.403 0.174 -6.123 1.00 0.25 H new ATOM 0 HA LEU A 69 4.202 2.075 -4.922 1.00 0.28 H new ATOM 0 HB2 LEU A 69 3.726 1.277 -7.832 1.00 0.30 H new ATOM 0 HB3 LEU A 69 5.074 2.251 -7.282 1.00 0.30 H new ATOM 0 HG LEU A 69 4.455 -0.594 -6.363 1.00 0.24 H new ATOM 0 HD11 LEU A 69 6.547 -1.130 -7.616 1.00 0.30 H new ATOM 0 HD12 LEU A 69 5.325 -0.415 -8.694 1.00 0.30 H new ATOM 0 HD13 LEU A 69 6.683 0.575 -8.108 1.00 0.30 H new ATOM 0 HD21 LEU A 69 6.638 -0.472 -5.202 1.00 0.27 H new ATOM 0 HD22 LEU A 69 6.803 1.233 -5.685 1.00 0.27 H new ATOM 0 HD23 LEU A 69 5.505 0.745 -4.569 1.00 0.27 H new ATOM 1030 N THR A 70 1.656 3.220 -6.624 1.00 0.28 N ATOM 1031 CA THR A 70 0.949 4.480 -6.979 1.00 0.28 C ATOM 1032 C THR A 70 0.598 5.220 -5.689 1.00 0.34 C ATOM 1033 O THR A 70 0.480 6.429 -5.665 1.00 0.30 O ATOM 1034 CB THR A 70 -0.326 4.149 -7.768 1.00 0.29 C ATOM 1035 OG1 THR A 70 0.033 3.573 -9.016 1.00 0.24 O ATOM 1036 CG2 THR A 70 -1.132 5.425 -8.010 1.00 0.29 C ATOM 0 H THR A 70 1.127 2.363 -6.788 1.00 0.28 H new ATOM 0 HA THR A 70 1.586 5.110 -7.599 1.00 0.28 H new ATOM 0 HB THR A 70 -0.932 3.445 -7.197 1.00 0.29 H new ATOM 0 HG1 THR A 70 -0.778 3.358 -9.523 1.00 0.24 H new ATOM 0 HG21 THR A 70 -2.035 5.184 -8.570 1.00 0.29 H new ATOM 0 HG22 THR A 70 -1.406 5.869 -7.053 1.00 0.29 H new ATOM 0 HG23 THR A 70 -0.530 6.133 -8.580 1.00 0.29 H new ATOM 1044 N MET A 71 0.458 4.500 -4.611 1.00 0.46 N ATOM 1045 CA MET A 71 0.141 5.164 -3.307 1.00 0.54 C ATOM 1046 C MET A 71 1.420 5.803 -2.758 1.00 0.55 C ATOM 1047 O MET A 71 1.422 6.934 -2.315 1.00 0.59 O ATOM 1048 CB MET A 71 -0.389 4.135 -2.285 1.00 0.65 C ATOM 1049 CG MET A 71 -1.812 3.651 -2.665 1.00 0.34 C ATOM 1050 SD MET A 71 -2.826 3.504 -1.166 1.00 0.27 S ATOM 1051 CE MET A 71 -3.869 2.135 -1.727 1.00 0.46 C ATOM 0 H MET A 71 0.548 3.485 -4.572 1.00 0.46 H new ATOM 0 HA MET A 71 -0.627 5.920 -3.470 1.00 0.54 H new ATOM 0 HB2 MET A 71 0.288 3.282 -2.239 1.00 0.65 H new ATOM 0 HB3 MET A 71 -0.407 4.582 -1.291 1.00 0.65 H new ATOM 0 HG2 MET A 71 -2.272 4.353 -3.360 1.00 0.34 H new ATOM 0 HG3 MET A 71 -1.756 2.689 -3.174 1.00 0.34 H new ATOM 0 HE1 MET A 71 -4.819 2.158 -1.192 1.00 0.46 H new ATOM 0 HE2 MET A 71 -4.053 2.232 -2.797 1.00 0.46 H new ATOM 0 HE3 MET A 71 -3.365 1.189 -1.530 1.00 0.46 H new ATOM 1061 N MET A 72 2.512 5.084 -2.787 1.00 0.53 N ATOM 1062 CA MET A 72 3.793 5.642 -2.273 1.00 0.56 C ATOM 1063 C MET A 72 4.245 6.796 -3.169 1.00 0.54 C ATOM 1064 O MET A 72 4.843 7.749 -2.711 1.00 0.63 O ATOM 1065 CB MET A 72 4.865 4.545 -2.271 1.00 0.54 C ATOM 1066 CG MET A 72 4.356 3.317 -1.507 1.00 0.50 C ATOM 1067 SD MET A 72 3.939 3.780 0.195 1.00 0.22 S ATOM 1068 CE MET A 72 5.620 4.122 0.773 1.00 0.30 C ATOM 0 H MET A 72 2.569 4.131 -3.146 1.00 0.53 H new ATOM 0 HA MET A 72 3.647 6.009 -1.257 1.00 0.56 H new ATOM 0 HB2 MET A 72 5.116 4.268 -3.295 1.00 0.54 H new ATOM 0 HB3 MET A 72 5.779 4.918 -1.809 1.00 0.54 H new ATOM 0 HG2 MET A 72 3.479 2.905 -2.006 1.00 0.50 H new ATOM 0 HG3 MET A 72 5.118 2.537 -1.505 1.00 0.50 H new ATOM 0 HE1 MET A 72 5.703 3.857 1.827 1.00 0.30 H new ATOM 0 HE2 MET A 72 6.331 3.533 0.193 1.00 0.30 H new ATOM 0 HE3 MET A 72 5.839 5.182 0.647 1.00 0.30 H new ATOM 1078 N ALA A 73 3.969 6.724 -4.444 1.00 0.43 N ATOM 1079 CA ALA A 73 4.394 7.823 -5.349 1.00 0.41 C ATOM 1080 C ALA A 73 3.545 9.069 -5.075 1.00 0.44 C ATOM 1081 O ALA A 73 4.017 10.184 -5.184 1.00 0.46 O ATOM 1082 CB ALA A 73 4.228 7.386 -6.809 1.00 0.34 C ATOM 0 H ALA A 73 3.471 5.955 -4.893 1.00 0.43 H new ATOM 0 HA ALA A 73 5.443 8.057 -5.167 1.00 0.41 H new ATOM 0 HB1 ALA A 73 4.541 8.195 -7.469 1.00 0.34 H new ATOM 0 HB2 ALA A 73 4.843 6.506 -6.997 1.00 0.34 H new ATOM 0 HB3 ALA A 73 3.182 7.146 -7.000 1.00 0.34 H new ATOM 1088 N ARG A 74 2.303 8.894 -4.713 1.00 0.46 N ATOM 1089 CA ARG A 74 1.447 10.074 -4.429 1.00 0.50 C ATOM 1090 C ARG A 74 1.988 10.791 -3.193 1.00 0.57 C ATOM 1091 O ARG A 74 1.843 11.988 -3.042 1.00 0.54 O ATOM 1092 CB ARG A 74 0.003 9.605 -4.181 1.00 0.52 C ATOM 1093 CG ARG A 74 -0.758 9.475 -5.520 1.00 0.43 C ATOM 1094 CD ARG A 74 -1.490 10.779 -5.844 1.00 0.50 C ATOM 1095 NE ARG A 74 -2.237 10.628 -7.122 1.00 1.58 N ATOM 1096 CZ ARG A 74 -3.178 11.480 -7.429 1.00 1.73 C ATOM 1097 NH1 ARG A 74 -3.461 12.459 -6.614 1.00 1.38 N ATOM 1098 NH2 ARG A 74 -3.836 11.353 -8.548 1.00 2.84 N ATOM 0 H ARG A 74 1.848 7.988 -4.603 1.00 0.46 H new ATOM 0 HA ARG A 74 1.456 10.759 -5.276 1.00 0.50 H new ATOM 0 HB2 ARG A 74 0.009 8.645 -3.664 1.00 0.52 H new ATOM 0 HB3 ARG A 74 -0.510 10.314 -3.531 1.00 0.52 H new ATOM 0 HG2 ARG A 74 -0.059 9.234 -6.321 1.00 0.43 H new ATOM 0 HG3 ARG A 74 -1.472 8.654 -5.462 1.00 0.43 H new ATOM 0 HD2 ARG A 74 -2.178 11.032 -5.037 1.00 0.50 H new ATOM 0 HD3 ARG A 74 -0.776 11.599 -5.923 1.00 0.50 H new ATOM 0 HE ARG A 74 -2.015 9.861 -7.757 1.00 1.58 H new ATOM 0 HH11 ARG A 74 -2.947 12.558 -5.738 1.00 1.38 H new ATOM 0 HH12 ARG A 74 -4.196 13.125 -6.853 1.00 1.38 H new ATOM 0 HH21 ARG A 74 -3.616 10.587 -9.185 1.00 2.84 H new ATOM 0 HH22 ARG A 74 -4.571 12.019 -8.786 1.00 2.84 H new ATOM 1112 N LYS A 75 2.612 10.066 -2.308 1.00 0.65 N ATOM 1113 CA LYS A 75 3.167 10.701 -1.082 1.00 0.72 C ATOM 1114 C LYS A 75 4.485 11.388 -1.420 1.00 0.70 C ATOM 1115 O LYS A 75 4.685 12.554 -1.149 1.00 0.69 O ATOM 1116 CB LYS A 75 3.407 9.626 -0.016 1.00 0.81 C ATOM 1117 CG LYS A 75 2.065 9.131 0.554 1.00 0.84 C ATOM 1118 CD LYS A 75 1.605 10.041 1.704 1.00 0.91 C ATOM 1119 CE LYS A 75 0.244 9.570 2.231 1.00 0.61 C ATOM 1120 NZ LYS A 75 -0.443 10.706 2.909 1.00 1.80 N ATOM 0 H LYS A 75 2.762 9.060 -2.381 1.00 0.65 H new ATOM 0 HA LYS A 75 2.461 11.439 -0.701 1.00 0.72 H new ATOM 0 HB2 LYS A 75 3.956 8.790 -0.450 1.00 0.81 H new ATOM 0 HB3 LYS A 75 4.024 10.031 0.786 1.00 0.81 H new ATOM 0 HG2 LYS A 75 1.311 9.118 -0.233 1.00 0.84 H new ATOM 0 HG3 LYS A 75 2.170 8.107 0.912 1.00 0.84 H new ATOM 0 HD2 LYS A 75 2.341 10.026 2.508 1.00 0.91 H new ATOM 0 HD3 LYS A 75 1.533 11.072 1.357 1.00 0.91 H new ATOM 0 HE2 LYS A 75 -0.368 9.198 1.409 1.00 0.61 H new ATOM 0 HE3 LYS A 75 0.378 8.743 2.928 1.00 0.61 H new ATOM 0 HZ1 LYS A 75 -1.366 10.389 3.267 1.00 1.80 H new ATOM 0 HZ2 LYS A 75 0.140 11.041 3.702 1.00 1.80 H new ATOM 0 HZ3 LYS A 75 -0.583 11.482 2.231 1.00 1.80 H new ATOM 1134 N MET A 76 5.440 10.529 -1.770 1.00 0.76 N ATOM 1135 CA MET A 76 6.881 10.902 -1.930 1.00 0.86 C ATOM 1136 C MET A 76 7.113 12.240 -2.585 1.00 1.12 C ATOM 1137 O MET A 76 7.819 13.059 -2.032 1.00 2.00 O ATOM 1138 CB MET A 76 7.614 9.774 -2.670 1.00 0.69 C ATOM 1139 CG MET A 76 8.070 8.736 -1.652 1.00 1.22 C ATOM 1140 SD MET A 76 6.769 7.526 -1.367 1.00 1.22 S ATOM 1141 CE MET A 76 7.873 6.123 -1.140 1.00 1.38 C ATOM 0 H MET A 76 5.255 9.543 -1.956 1.00 0.76 H new ATOM 0 HA MET A 76 7.291 11.021 -0.927 1.00 0.86 H new ATOM 0 HB2 MET A 76 6.955 9.316 -3.407 1.00 0.69 H new ATOM 0 HB3 MET A 76 8.471 10.173 -3.213 1.00 0.69 H new ATOM 0 HG2 MET A 76 8.969 8.235 -2.011 1.00 1.22 H new ATOM 0 HG3 MET A 76 8.331 9.227 -0.714 1.00 1.22 H new ATOM 0 HE1 MET A 76 7.534 5.290 -1.756 1.00 1.38 H new ATOM 0 HE2 MET A 76 8.884 6.404 -1.434 1.00 1.38 H new ATOM 0 HE3 MET A 76 7.870 5.823 -0.092 1.00 1.38 H new ATOM 1151 N LYS A 77 6.573 12.499 -3.728 1.00 1.22 N ATOM 1152 CA LYS A 77 6.829 13.833 -4.331 1.00 1.32 C ATOM 1153 C LYS A 77 6.910 14.877 -3.221 1.00 1.15 C ATOM 1154 O LYS A 77 7.429 15.963 -3.387 1.00 0.88 O ATOM 1155 CB LYS A 77 5.680 14.173 -5.283 1.00 1.53 C ATOM 1156 CG LYS A 77 4.549 14.875 -4.520 1.00 1.37 C ATOM 1157 CD LYS A 77 3.263 14.825 -5.347 1.00 1.19 C ATOM 1158 CE LYS A 77 2.099 15.370 -4.515 1.00 1.91 C ATOM 1159 NZ LYS A 77 1.881 14.494 -3.330 1.00 2.60 N ATOM 0 H LYS A 77 5.979 11.868 -4.266 1.00 1.22 H new ATOM 0 HA LYS A 77 7.769 13.824 -4.883 1.00 1.32 H new ATOM 0 HB2 LYS A 77 6.041 14.816 -6.085 1.00 1.53 H new ATOM 0 HB3 LYS A 77 5.303 13.263 -5.750 1.00 1.53 H new ATOM 0 HG2 LYS A 77 4.392 14.391 -3.556 1.00 1.37 H new ATOM 0 HG3 LYS A 77 4.822 15.910 -4.316 1.00 1.37 H new ATOM 0 HD2 LYS A 77 3.380 15.413 -6.257 1.00 1.19 H new ATOM 0 HD3 LYS A 77 3.055 13.800 -5.655 1.00 1.19 H new ATOM 0 HE2 LYS A 77 2.314 16.389 -4.193 1.00 1.91 H new ATOM 0 HE3 LYS A 77 1.194 15.412 -5.121 1.00 1.91 H new ATOM 0 HZ1 LYS A 77 0.933 14.668 -2.940 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 1.961 13.497 -3.616 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 2.597 14.705 -2.606 1.00 2.60 H new ATOM 1173 N ASP A 78 6.307 14.562 -2.123 1.00 1.03 N ATOM 1174 CA ASP A 78 6.221 15.534 -0.994 1.00 1.01 C ATOM 1175 C ASP A 78 7.603 16.064 -0.646 1.00 1.00 C ATOM 1176 O ASP A 78 7.818 17.252 -0.502 1.00 1.30 O ATOM 1177 CB ASP A 78 5.606 14.851 0.231 1.00 0.94 C ATOM 1178 CG ASP A 78 5.256 15.905 1.281 1.00 0.93 C ATOM 1179 OD1 ASP A 78 6.110 16.206 2.101 1.00 1.17 O ATOM 1180 OD2 ASP A 78 4.138 16.392 1.252 1.00 1.63 O ATOM 0 H ASP A 78 5.861 13.662 -1.948 1.00 1.03 H new ATOM 0 HA ASP A 78 5.591 16.370 -1.298 1.00 1.01 H new ATOM 0 HB2 ASP A 78 4.711 14.299 -0.058 1.00 0.94 H new ATOM 0 HB3 ASP A 78 6.307 14.127 0.647 1.00 0.94 H new ATOM 1185 N THR A 79 8.532 15.187 -0.518 1.00 0.70 N ATOM 1186 CA THR A 79 9.927 15.602 -0.183 1.00 0.67 C ATOM 1187 C THR A 79 10.643 16.034 -1.457 1.00 0.65 C ATOM 1188 O THR A 79 11.821 15.801 -1.637 1.00 0.67 O ATOM 1189 CB THR A 79 10.686 14.435 0.458 1.00 0.76 C ATOM 1190 OG1 THR A 79 12.060 14.777 0.574 1.00 1.00 O ATOM 1191 CG2 THR A 79 10.546 13.170 -0.402 1.00 0.63 C ATOM 0 H THR A 79 8.398 14.182 -0.630 1.00 0.70 H new ATOM 0 HA THR A 79 9.893 16.432 0.522 1.00 0.67 H new ATOM 0 HB THR A 79 10.267 14.238 1.445 1.00 0.76 H new ATOM 0 HG1 THR A 79 12.448 14.881 -0.320 1.00 1.00 H new ATOM 0 HG21 THR A 79 11.090 12.350 0.066 1.00 0.63 H new ATOM 0 HG22 THR A 79 9.493 12.904 -0.489 1.00 0.63 H new ATOM 0 HG23 THR A 79 10.956 13.358 -1.395 1.00 0.63 H new ATOM 1199 N ASP A 80 9.933 16.676 -2.332 1.00 0.61 N ATOM 1200 CA ASP A 80 10.546 17.154 -3.605 1.00 0.60 C ATOM 1201 C ASP A 80 11.874 17.834 -3.304 1.00 0.54 C ATOM 1202 O ASP A 80 12.197 18.127 -2.172 1.00 0.49 O ATOM 1203 CB ASP A 80 9.594 18.143 -4.288 1.00 0.53 C ATOM 1204 CG ASP A 80 9.005 19.092 -3.242 1.00 1.47 C ATOM 1205 OD1 ASP A 80 9.757 19.566 -2.410 1.00 2.66 O ATOM 1206 OD2 ASP A 80 7.808 19.327 -3.295 1.00 2.20 O ATOM 0 H ASP A 80 8.943 16.895 -2.223 1.00 0.61 H new ATOM 0 HA ASP A 80 10.721 16.308 -4.270 1.00 0.60 H new ATOM 0 HB2 ASP A 80 10.128 18.711 -5.050 1.00 0.53 H new ATOM 0 HB3 ASP A 80 8.795 17.603 -4.795 1.00 0.53 H new ATOM 1211 N SER A 81 12.638 18.097 -4.320 1.00 0.58 N ATOM 1212 CA SER A 81 13.941 18.772 -4.119 1.00 0.58 C ATOM 1213 C SER A 81 13.648 20.253 -3.997 1.00 0.49 C ATOM 1214 O SER A 81 14.420 21.040 -3.488 1.00 0.49 O ATOM 1215 CB SER A 81 14.841 18.496 -5.324 1.00 0.71 C ATOM 1216 OG SER A 81 16.200 18.682 -4.949 1.00 0.68 O ATOM 0 H SER A 81 12.413 17.871 -5.289 1.00 0.58 H new ATOM 0 HA SER A 81 14.453 18.411 -3.227 1.00 0.58 H new ATOM 0 HB2 SER A 81 14.687 17.478 -5.682 1.00 0.71 H new ATOM 0 HB3 SER A 81 14.584 19.165 -6.145 1.00 0.71 H new ATOM 0 HG SER A 81 16.779 18.504 -5.719 1.00 0.68 H new ATOM 1222 N GLU A 82 12.501 20.606 -4.476 1.00 0.44 N ATOM 1223 CA GLU A 82 12.043 22.019 -4.438 1.00 0.38 C ATOM 1224 C GLU A 82 11.962 22.495 -2.984 1.00 0.34 C ATOM 1225 O GLU A 82 12.393 23.580 -2.647 1.00 0.34 O ATOM 1226 CB GLU A 82 10.655 22.075 -5.109 1.00 0.32 C ATOM 1227 CG GLU A 82 10.783 22.538 -6.569 1.00 1.06 C ATOM 1228 CD GLU A 82 9.534 22.125 -7.352 1.00 1.19 C ATOM 1229 OE1 GLU A 82 8.545 22.834 -7.269 1.00 0.83 O ATOM 1230 OE2 GLU A 82 9.588 21.108 -8.022 1.00 2.29 O ATOM 0 H GLU A 82 11.839 19.959 -4.906 1.00 0.44 H new ATOM 0 HA GLU A 82 12.739 22.671 -4.966 1.00 0.38 H new ATOM 0 HB2 GLU A 82 10.187 21.091 -5.073 1.00 0.32 H new ATOM 0 HB3 GLU A 82 10.006 22.757 -4.560 1.00 0.32 H new ATOM 0 HG2 GLU A 82 10.907 23.620 -6.608 1.00 1.06 H new ATOM 0 HG3 GLU A 82 11.671 22.099 -7.024 1.00 1.06 H new ATOM 1237 N GLU A 83 11.412 21.690 -2.131 1.00 0.34 N ATOM 1238 CA GLU A 83 11.290 22.081 -0.694 1.00 0.34 C ATOM 1239 C GLU A 83 12.684 22.139 -0.061 1.00 0.31 C ATOM 1240 O GLU A 83 12.887 22.751 0.968 1.00 0.31 O ATOM 1241 CB GLU A 83 10.421 21.056 0.057 1.00 0.36 C ATOM 1242 CG GLU A 83 8.937 21.352 -0.186 1.00 0.87 C ATOM 1243 CD GLU A 83 8.089 20.222 0.399 1.00 0.99 C ATOM 1244 OE1 GLU A 83 8.668 19.279 0.910 1.00 1.05 O ATOM 1245 OE2 GLU A 83 6.876 20.319 0.326 1.00 2.15 O ATOM 0 H GLU A 83 11.037 20.770 -2.361 1.00 0.34 H new ATOM 0 HA GLU A 83 10.819 23.062 -0.627 1.00 0.34 H new ATOM 0 HB2 GLU A 83 10.660 20.047 -0.281 1.00 0.36 H new ATOM 0 HB3 GLU A 83 10.638 21.095 1.124 1.00 0.36 H new ATOM 0 HG2 GLU A 83 8.664 22.301 0.275 1.00 0.87 H new ATOM 0 HG3 GLU A 83 8.745 21.449 -1.255 1.00 0.87 H new ATOM 1252 N GLU A 84 13.637 21.498 -0.667 1.00 0.32 N ATOM 1253 CA GLU A 84 15.020 21.496 -0.110 1.00 0.30 C ATOM 1254 C GLU A 84 15.760 22.757 -0.555 1.00 0.30 C ATOM 1255 O GLU A 84 16.498 23.359 0.202 1.00 0.28 O ATOM 1256 CB GLU A 84 15.767 20.260 -0.620 1.00 0.29 C ATOM 1257 CG GLU A 84 15.069 18.997 -0.112 1.00 0.41 C ATOM 1258 CD GLU A 84 15.635 17.775 -0.837 1.00 1.49 C ATOM 1259 OE1 GLU A 84 16.790 17.823 -1.228 1.00 2.23 O ATOM 1260 OE2 GLU A 84 14.903 16.810 -0.988 1.00 2.29 O ATOM 0 H GLU A 84 13.520 20.970 -1.532 1.00 0.32 H new ATOM 0 HA GLU A 84 14.972 21.475 0.979 1.00 0.30 H new ATOM 0 HB2 GLU A 84 15.792 20.261 -1.710 1.00 0.29 H new ATOM 0 HB3 GLU A 84 16.801 20.280 -0.277 1.00 0.29 H new ATOM 0 HG2 GLU A 84 15.215 18.895 0.963 1.00 0.41 H new ATOM 0 HG3 GLU A 84 13.995 19.069 -0.282 1.00 0.41 H new ATOM 1267 N ILE A 85 15.570 23.157 -1.777 1.00 0.32 N ATOM 1268 CA ILE A 85 16.266 24.377 -2.279 1.00 0.32 C ATOM 1269 C ILE A 85 15.586 25.628 -1.719 1.00 0.35 C ATOM 1270 O ILE A 85 16.244 26.555 -1.284 1.00 0.35 O ATOM 1271 CB ILE A 85 16.229 24.403 -3.819 1.00 0.28 C ATOM 1272 CG1 ILE A 85 17.264 23.411 -4.371 1.00 0.26 C ATOM 1273 CG2 ILE A 85 16.549 25.825 -4.326 1.00 0.28 C ATOM 1274 CD1 ILE A 85 17.132 23.327 -5.891 1.00 0.19 C ATOM 0 H ILE A 85 14.963 22.694 -2.453 1.00 0.32 H new ATOM 0 HA ILE A 85 17.305 24.359 -1.949 1.00 0.32 H new ATOM 0 HB ILE A 85 15.234 24.118 -4.162 1.00 0.28 H new ATOM 0 HG12 ILE A 85 18.270 23.731 -4.100 1.00 0.26 H new ATOM 0 HG13 ILE A 85 17.112 22.427 -3.928 1.00 0.26 H new ATOM 0 HG21 ILE A 85 16.521 25.838 -5.416 1.00 0.28 H new ATOM 0 HG22 ILE A 85 15.810 26.525 -3.936 1.00 0.28 H new ATOM 0 HG23 ILE A 85 17.542 26.118 -3.985 1.00 0.28 H new ATOM 0 HD11 ILE A 85 17.867 22.623 -6.282 1.00 0.19 H new ATOM 0 HD12 ILE A 85 16.130 22.987 -6.151 1.00 0.19 H new ATOM 0 HD13 ILE A 85 17.305 24.311 -6.326 1.00 0.19 H new ATOM 1286 N ARG A 86 14.286 25.679 -1.731 1.00 0.41 N ATOM 1287 CA ARG A 86 13.602 26.888 -1.203 1.00 0.46 C ATOM 1288 C ARG A 86 13.948 27.047 0.272 1.00 0.51 C ATOM 1289 O ARG A 86 14.230 28.134 0.739 1.00 0.54 O ATOM 1290 CB ARG A 86 12.089 26.739 -1.372 1.00 0.48 C ATOM 1291 CG ARG A 86 11.389 28.009 -0.887 1.00 0.90 C ATOM 1292 CD ARG A 86 9.887 27.896 -1.142 1.00 0.96 C ATOM 1293 NE ARG A 86 9.334 26.751 -0.365 1.00 0.86 N ATOM 1294 CZ ARG A 86 8.046 26.650 -0.179 1.00 1.67 C ATOM 1295 NH1 ARG A 86 7.244 27.556 -0.671 1.00 1.74 N ATOM 1296 NH2 ARG A 86 7.561 25.645 0.497 1.00 2.76 N ATOM 0 H ARG A 86 13.672 24.943 -2.080 1.00 0.41 H new ATOM 0 HA ARG A 86 13.932 27.770 -1.752 1.00 0.46 H new ATOM 0 HB2 ARG A 86 11.847 26.556 -2.419 1.00 0.48 H new ATOM 0 HB3 ARG A 86 11.733 25.878 -0.807 1.00 0.48 H new ATOM 0 HG2 ARG A 86 11.577 28.157 0.176 1.00 0.90 H new ATOM 0 HG3 ARG A 86 11.792 28.879 -1.406 1.00 0.90 H new ATOM 0 HD2 ARG A 86 9.388 28.821 -0.852 1.00 0.96 H new ATOM 0 HD3 ARG A 86 9.698 27.752 -2.206 1.00 0.96 H new ATOM 0 HE ARG A 86 9.962 26.046 0.021 1.00 0.86 H new ATOM 0 HH11 ARG A 86 7.624 28.341 -1.200 1.00 1.74 H new ATOM 0 HH12 ARG A 86 6.237 27.479 -0.527 1.00 1.74 H new ATOM 0 HH21 ARG A 86 8.188 24.938 0.880 1.00 2.76 H new ATOM 0 HH22 ARG A 86 6.554 25.566 0.642 1.00 2.76 H new ATOM 1310 N GLU A 87 13.943 25.973 1.016 1.00 0.49 N ATOM 1311 CA GLU A 87 14.285 26.082 2.459 1.00 0.53 C ATOM 1312 C GLU A 87 15.760 26.464 2.588 1.00 0.47 C ATOM 1313 O GLU A 87 16.178 27.008 3.589 1.00 0.44 O ATOM 1314 CB GLU A 87 14.009 24.751 3.173 1.00 0.57 C ATOM 1315 CG GLU A 87 12.500 24.556 3.319 1.00 0.81 C ATOM 1316 CD GLU A 87 11.953 25.543 4.353 1.00 2.19 C ATOM 1317 OE1 GLU A 87 12.732 26.009 5.167 1.00 2.58 O ATOM 1318 OE2 GLU A 87 10.764 25.815 4.310 1.00 3.24 O ATOM 0 H GLU A 87 13.719 25.034 0.688 1.00 0.49 H new ATOM 0 HA GLU A 87 13.668 26.849 2.927 1.00 0.53 H new ATOM 0 HB2 GLU A 87 14.440 23.926 2.607 1.00 0.57 H new ATOM 0 HB3 GLU A 87 14.484 24.747 4.154 1.00 0.57 H new ATOM 0 HG2 GLU A 87 12.008 24.710 2.358 1.00 0.81 H new ATOM 0 HG3 GLU A 87 12.283 23.533 3.627 1.00 0.81 H new ATOM 1325 N ALA A 88 16.551 26.228 1.569 1.00 0.46 N ATOM 1326 CA ALA A 88 17.977 26.633 1.648 1.00 0.40 C ATOM 1327 C ALA A 88 18.033 28.119 1.354 1.00 0.36 C ATOM 1328 O ALA A 88 18.655 28.884 2.047 1.00 0.31 O ATOM 1329 CB ALA A 88 18.808 25.886 0.610 1.00 0.41 C ATOM 0 H ALA A 88 16.269 25.777 0.698 1.00 0.46 H new ATOM 0 HA ALA A 88 18.380 26.402 2.634 1.00 0.40 H new ATOM 0 HB1 ALA A 88 19.850 26.198 0.685 1.00 0.41 H new ATOM 0 HB2 ALA A 88 18.736 24.813 0.790 1.00 0.41 H new ATOM 0 HB3 ALA A 88 18.433 26.112 -0.388 1.00 0.41 H new ATOM 1335 N PHE A 89 17.361 28.543 0.334 1.00 0.37 N ATOM 1336 CA PHE A 89 17.370 29.988 0.032 1.00 0.35 C ATOM 1337 C PHE A 89 16.777 30.715 1.240 1.00 0.36 C ATOM 1338 O PHE A 89 17.083 31.863 1.496 1.00 0.34 O ATOM 1339 CB PHE A 89 16.548 30.261 -1.238 1.00 0.40 C ATOM 1340 CG PHE A 89 17.411 30.025 -2.465 1.00 0.30 C ATOM 1341 CD1 PHE A 89 18.517 30.850 -2.702 1.00 0.22 C ATOM 1342 CD2 PHE A 89 17.119 28.976 -3.363 1.00 0.34 C ATOM 1343 CE1 PHE A 89 19.311 30.637 -3.822 1.00 0.20 C ATOM 1344 CE2 PHE A 89 17.939 28.776 -4.497 1.00 0.25 C ATOM 1345 CZ PHE A 89 19.035 29.623 -4.709 1.00 0.16 C ATOM 0 H PHE A 89 16.812 27.960 -0.298 1.00 0.37 H new ATOM 0 HA PHE A 89 18.384 30.344 -0.152 1.00 0.35 H new ATOM 0 HB2 PHE A 89 15.674 29.610 -1.265 1.00 0.40 H new ATOM 0 HB3 PHE A 89 16.180 31.287 -1.232 1.00 0.40 H new ATOM 0 HD1 PHE A 89 18.752 31.650 -2.016 1.00 0.22 H new ATOM 0 HD2 PHE A 89 16.273 28.329 -3.185 1.00 0.34 H new ATOM 0 HE1 PHE A 89 20.161 31.280 -3.999 1.00 0.20 H new ATOM 0 HE2 PHE A 89 17.723 27.979 -5.193 1.00 0.25 H new ATOM 0 HZ PHE A 89 19.666 29.479 -5.573 1.00 0.16 H new ATOM 1355 N ARG A 90 15.965 30.041 2.020 1.00 0.39 N ATOM 1356 CA ARG A 90 15.408 30.690 3.237 1.00 0.40 C ATOM 1357 C ARG A 90 16.551 30.831 4.243 1.00 0.26 C ATOM 1358 O ARG A 90 16.733 31.863 4.859 1.00 0.15 O ATOM 1359 CB ARG A 90 14.292 29.827 3.833 1.00 0.54 C ATOM 1360 CG ARG A 90 13.581 30.614 4.946 1.00 0.57 C ATOM 1361 CD ARG A 90 12.691 29.675 5.788 1.00 0.56 C ATOM 1362 NE ARG A 90 11.385 30.345 6.086 1.00 0.99 N ATOM 1363 CZ ARG A 90 11.337 31.583 6.510 1.00 1.76 C ATOM 1364 NH1 ARG A 90 12.431 32.220 6.826 1.00 2.41 N ATOM 1365 NH2 ARG A 90 10.181 32.172 6.660 1.00 2.10 N ATOM 0 H ARG A 90 15.669 29.077 1.864 1.00 0.39 H new ATOM 0 HA ARG A 90 14.986 31.664 2.991 1.00 0.40 H new ATOM 0 HB2 ARG A 90 13.579 29.547 3.057 1.00 0.54 H new ATOM 0 HB3 ARG A 90 14.706 28.902 4.234 1.00 0.54 H new ATOM 0 HG2 ARG A 90 14.319 31.097 5.587 1.00 0.57 H new ATOM 0 HG3 ARG A 90 12.973 31.406 4.508 1.00 0.57 H new ATOM 0 HD2 ARG A 90 12.518 28.744 5.249 1.00 0.56 H new ATOM 0 HD3 ARG A 90 13.198 29.416 6.718 1.00 0.56 H new ATOM 0 HE ARG A 90 10.516 29.827 5.956 1.00 0.99 H new ATOM 0 HH11 ARG A 90 13.334 31.754 6.744 1.00 2.41 H new ATOM 0 HH12 ARG A 90 12.383 33.184 7.155 1.00 2.41 H new ATOM 0 HH21 ARG A 90 9.320 31.668 6.447 1.00 2.10 H new ATOM 0 HH22 ARG A 90 10.139 33.136 6.990 1.00 2.10 H new ATOM 1379 N VAL A 91 17.342 29.802 4.382 1.00 0.29 N ATOM 1380 CA VAL A 91 18.511 29.866 5.314 1.00 0.26 C ATOM 1381 C VAL A 91 19.326 31.103 4.941 1.00 0.13 C ATOM 1382 O VAL A 91 20.154 31.575 5.695 1.00 0.19 O ATOM 1383 CB VAL A 91 19.384 28.594 5.121 1.00 0.36 C ATOM 1384 CG1 VAL A 91 20.864 28.881 5.417 1.00 0.36 C ATOM 1385 CG2 VAL A 91 18.894 27.474 6.051 1.00 0.49 C ATOM 0 H VAL A 91 17.231 28.916 3.890 1.00 0.29 H new ATOM 0 HA VAL A 91 18.182 29.920 6.352 1.00 0.26 H new ATOM 0 HB VAL A 91 19.291 28.283 4.081 1.00 0.36 H new ATOM 0 HG11 VAL A 91 21.447 27.971 5.273 1.00 0.36 H new ATOM 0 HG12 VAL A 91 21.227 29.655 4.741 1.00 0.36 H new ATOM 0 HG13 VAL A 91 20.970 29.220 6.447 1.00 0.36 H new ATOM 0 HG21 VAL A 91 19.511 26.587 5.909 1.00 0.49 H new ATOM 0 HG22 VAL A 91 18.966 27.804 7.087 1.00 0.49 H new ATOM 0 HG23 VAL A 91 17.856 27.235 5.818 1.00 0.49 H new ATOM 1395 N PHE A 92 19.129 31.580 3.748 1.00 0.08 N ATOM 1396 CA PHE A 92 19.917 32.735 3.246 1.00 0.11 C ATOM 1397 C PHE A 92 19.141 34.049 3.357 1.00 0.26 C ATOM 1398 O PHE A 92 19.692 35.123 3.221 1.00 0.36 O ATOM 1399 CB PHE A 92 20.284 32.395 1.797 1.00 0.15 C ATOM 1400 CG PHE A 92 21.612 31.693 1.799 1.00 0.06 C ATOM 1401 CD1 PHE A 92 21.695 30.295 1.938 1.00 0.13 C ATOM 1402 CD2 PHE A 92 22.759 32.459 1.677 1.00 0.08 C ATOM 1403 CE1 PHE A 92 22.941 29.675 1.960 1.00 0.21 C ATOM 1404 CE2 PHE A 92 24.015 31.836 1.691 1.00 0.11 C ATOM 1405 CZ PHE A 92 24.100 30.440 1.836 1.00 0.19 C ATOM 0 H PHE A 92 18.444 31.212 3.088 1.00 0.08 H new ATOM 0 HA PHE A 92 20.813 32.893 3.846 1.00 0.11 H new ATOM 0 HB2 PHE A 92 19.519 31.759 1.351 1.00 0.15 H new ATOM 0 HB3 PHE A 92 20.335 33.302 1.195 1.00 0.15 H new ATOM 0 HD1 PHE A 92 20.795 29.705 2.027 1.00 0.13 H new ATOM 0 HD2 PHE A 92 22.687 33.531 1.572 1.00 0.08 H new ATOM 0 HE1 PHE A 92 23.010 28.603 2.073 1.00 0.21 H new ATOM 0 HE2 PHE A 92 24.914 32.426 1.591 1.00 0.11 H new ATOM 0 HZ PHE A 92 25.067 29.959 1.851 1.00 0.19 H new ATOM 1415 N ASP A 93 17.895 33.970 3.663 1.00 0.28 N ATOM 1416 CA ASP A 93 17.071 35.202 3.850 1.00 0.42 C ATOM 1417 C ASP A 93 17.141 35.600 5.331 1.00 0.55 C ATOM 1418 O ASP A 93 16.165 35.564 6.051 1.00 0.64 O ATOM 1419 CB ASP A 93 15.617 34.921 3.459 1.00 0.48 C ATOM 1420 CG ASP A 93 14.761 36.153 3.753 1.00 0.62 C ATOM 1421 OD1 ASP A 93 15.334 37.195 4.026 1.00 1.48 O ATOM 1422 OD2 ASP A 93 13.549 36.033 3.700 1.00 0.69 O ATOM 0 H ASP A 93 17.390 33.094 3.797 1.00 0.28 H new ATOM 0 HA ASP A 93 17.450 36.008 3.221 1.00 0.42 H new ATOM 0 HB2 ASP A 93 15.557 34.668 2.401 1.00 0.48 H new ATOM 0 HB3 ASP A 93 15.240 34.062 4.014 1.00 0.48 H new ATOM 1427 N LYS A 94 18.314 35.953 5.784 1.00 0.59 N ATOM 1428 CA LYS A 94 18.512 36.333 7.218 1.00 0.77 C ATOM 1429 C LYS A 94 17.578 37.466 7.627 1.00 0.82 C ATOM 1430 O LYS A 94 17.342 37.697 8.796 1.00 1.08 O ATOM 1431 CB LYS A 94 19.960 36.775 7.420 1.00 0.84 C ATOM 1432 CG LYS A 94 20.895 35.584 7.210 1.00 0.89 C ATOM 1433 CD LYS A 94 22.331 36.081 7.039 1.00 1.27 C ATOM 1434 CE LYS A 94 23.270 34.886 6.872 1.00 1.42 C ATOM 1435 NZ LYS A 94 23.056 34.269 5.534 1.00 2.13 N ATOM 0 H LYS A 94 19.158 35.996 5.214 1.00 0.59 H new ATOM 0 HA LYS A 94 18.286 35.466 7.839 1.00 0.77 H new ATOM 0 HB2 LYS A 94 20.208 37.573 6.720 1.00 0.84 H new ATOM 0 HB3 LYS A 94 20.090 37.180 8.424 1.00 0.84 H new ATOM 0 HG2 LYS A 94 20.833 34.906 8.061 1.00 0.89 H new ATOM 0 HG3 LYS A 94 20.588 35.019 6.330 1.00 0.89 H new ATOM 0 HD2 LYS A 94 22.399 36.735 6.169 1.00 1.27 H new ATOM 0 HD3 LYS A 94 22.628 36.672 7.906 1.00 1.27 H new ATOM 0 HE2 LYS A 94 24.306 35.207 6.974 1.00 1.42 H new ATOM 0 HE3 LYS A 94 23.085 34.152 7.656 1.00 1.42 H new ATOM 0 HZ1 LYS A 94 23.831 33.606 5.329 1.00 2.13 H new ATOM 0 HZ2 LYS A 94 22.151 33.756 5.529 1.00 2.13 H new ATOM 0 HZ3 LYS A 94 23.036 35.013 4.808 1.00 2.13 H new ATOM 1449 N ASP A 95 17.067 38.185 6.681 1.00 0.62 N ATOM 1450 CA ASP A 95 16.162 39.335 7.003 1.00 0.66 C ATOM 1451 C ASP A 95 14.701 38.921 6.835 1.00 0.53 C ATOM 1452 O ASP A 95 13.805 39.738 6.899 1.00 0.52 O ATOM 1453 CB ASP A 95 16.461 40.482 6.040 1.00 0.63 C ATOM 1454 CG ASP A 95 15.732 41.745 6.503 1.00 0.84 C ATOM 1455 OD1 ASP A 95 16.117 42.286 7.525 1.00 1.37 O ATOM 1456 OD2 ASP A 95 14.801 42.151 5.824 1.00 1.34 O ATOM 0 H ASP A 95 17.232 38.033 5.686 1.00 0.62 H new ATOM 0 HA ASP A 95 16.331 39.645 8.034 1.00 0.66 H new ATOM 0 HB2 ASP A 95 17.535 40.665 5.998 1.00 0.63 H new ATOM 0 HB3 ASP A 95 16.144 40.216 5.032 1.00 0.63 H new ATOM 1461 N GLY A 96 14.448 37.658 6.629 1.00 0.56 N ATOM 1462 CA GLY A 96 13.038 37.197 6.466 1.00 0.73 C ATOM 1463 C GLY A 96 12.312 38.119 5.487 1.00 0.63 C ATOM 1464 O GLY A 96 11.152 38.437 5.657 1.00 0.63 O ATOM 0 H GLY A 96 15.155 36.925 6.566 1.00 0.56 H new ATOM 0 HA2 GLY A 96 13.020 36.171 6.098 1.00 0.73 H new ATOM 0 HA3 GLY A 96 12.529 37.199 7.430 1.00 0.73 H new ATOM 1468 N ASN A 97 12.997 38.555 4.467 1.00 0.58 N ATOM 1469 CA ASN A 97 12.370 39.476 3.465 1.00 0.54 C ATOM 1470 C ASN A 97 11.935 38.684 2.225 1.00 0.51 C ATOM 1471 O ASN A 97 10.839 38.861 1.731 1.00 0.85 O ATOM 1472 CB ASN A 97 13.390 40.539 3.049 1.00 0.62 C ATOM 1473 CG ASN A 97 12.680 41.662 2.295 1.00 0.73 C ATOM 1474 OD1 ASN A 97 12.640 41.663 1.080 1.00 0.49 O ATOM 1475 ND2 ASN A 97 12.113 42.627 2.966 1.00 1.66 N ATOM 0 H ASN A 97 13.970 38.314 4.279 1.00 0.58 H new ATOM 0 HA ASN A 97 11.497 39.951 3.913 1.00 0.54 H new ATOM 0 HB2 ASN A 97 13.893 40.939 3.929 1.00 0.62 H new ATOM 0 HB3 ASN A 97 14.159 40.093 2.418 1.00 0.62 H new ATOM 0 HD21 ASN A 97 11.637 43.381 2.471 1.00 1.66 H new ATOM 0 HD22 ASN A 97 12.146 42.627 3.985 1.00 1.66 H new ATOM 1482 N GLY A 98 12.776 37.805 1.718 1.00 0.29 N ATOM 1483 CA GLY A 98 12.405 36.994 0.512 1.00 0.24 C ATOM 1484 C GLY A 98 13.367 37.297 -0.635 1.00 0.21 C ATOM 1485 O GLY A 98 13.233 36.767 -1.721 1.00 0.20 O ATOM 0 H GLY A 98 13.706 37.616 2.091 1.00 0.29 H new ATOM 0 HA2 GLY A 98 12.437 35.932 0.754 1.00 0.24 H new ATOM 0 HA3 GLY A 98 11.383 37.222 0.210 1.00 0.24 H new ATOM 1489 N TYR A 99 14.329 38.148 -0.406 1.00 0.24 N ATOM 1490 CA TYR A 99 15.306 38.506 -1.482 1.00 0.22 C ATOM 1491 C TYR A 99 16.733 38.476 -0.929 1.00 0.23 C ATOM 1492 O TYR A 99 16.982 38.825 0.209 1.00 0.24 O ATOM 1493 CB TYR A 99 15.001 39.918 -1.986 1.00 0.21 C ATOM 1494 CG TYR A 99 13.652 39.933 -2.667 1.00 0.22 C ATOM 1495 CD1 TYR A 99 12.484 39.865 -1.899 1.00 1.80 C ATOM 1496 CD2 TYR A 99 13.571 40.017 -4.062 1.00 1.50 C ATOM 1497 CE1 TYR A 99 11.233 39.883 -2.527 1.00 1.89 C ATOM 1498 CE2 TYR A 99 12.320 40.033 -4.690 1.00 1.41 C ATOM 1499 CZ TYR A 99 11.151 39.967 -3.922 1.00 0.34 C ATOM 1500 OH TYR A 99 9.918 39.983 -4.543 1.00 0.41 O ATOM 0 H TYR A 99 14.484 38.616 0.487 1.00 0.24 H new ATOM 0 HA TYR A 99 15.219 37.786 -2.296 1.00 0.22 H new ATOM 0 HB2 TYR A 99 15.007 40.621 -1.153 1.00 0.21 H new ATOM 0 HB3 TYR A 99 15.775 40.242 -2.682 1.00 0.21 H new ATOM 0 HD1 TYR A 99 12.548 39.799 -0.823 1.00 1.80 H new ATOM 0 HD2 TYR A 99 14.473 40.069 -4.653 1.00 1.50 H new ATOM 0 HE1 TYR A 99 10.331 39.832 -1.935 1.00 1.89 H new ATOM 0 HE2 TYR A 99 12.257 40.096 -5.766 1.00 1.41 H new ATOM 0 HH TYR A 99 10.041 40.046 -5.513 1.00 0.41 H new ATOM 1510 N ILE A 100 17.675 38.095 -1.749 1.00 0.22 N ATOM 1511 CA ILE A 100 19.112 38.072 -1.319 1.00 0.22 C ATOM 1512 C ILE A 100 19.964 38.568 -2.491 1.00 0.19 C ATOM 1513 O ILE A 100 19.500 38.652 -3.610 1.00 0.15 O ATOM 1514 CB ILE A 100 19.573 36.651 -0.923 1.00 0.25 C ATOM 1515 CG1 ILE A 100 19.455 35.710 -2.138 1.00 0.37 C ATOM 1516 CG2 ILE A 100 18.750 36.101 0.273 1.00 0.12 C ATOM 1517 CD1 ILE A 100 19.684 34.261 -1.705 1.00 0.28 C ATOM 0 H ILE A 100 17.513 37.795 -2.710 1.00 0.22 H new ATOM 0 HA ILE A 100 19.226 38.711 -0.443 1.00 0.22 H new ATOM 0 HB ILE A 100 20.615 36.703 -0.607 1.00 0.25 H new ATOM 0 HG12 ILE A 100 18.469 35.811 -2.591 1.00 0.37 H new ATOM 0 HG13 ILE A 100 20.185 35.991 -2.897 1.00 0.37 H new ATOM 0 HG21 ILE A 100 19.100 35.100 0.526 1.00 0.12 H new ATOM 0 HG22 ILE A 100 18.876 36.758 1.134 1.00 0.12 H new ATOM 0 HG23 ILE A 100 17.696 36.059 0.000 1.00 0.12 H new ATOM 0 HD11 ILE A 100 19.598 33.605 -2.571 1.00 0.28 H new ATOM 0 HD12 ILE A 100 20.680 34.163 -1.273 1.00 0.28 H new ATOM 0 HD13 ILE A 100 18.937 33.981 -0.962 1.00 0.28 H new ATOM 1529 N SER A 101 21.204 38.892 -2.254 1.00 0.21 N ATOM 1530 CA SER A 101 22.068 39.375 -3.369 1.00 0.18 C ATOM 1531 C SER A 101 22.538 38.184 -4.212 1.00 0.19 C ATOM 1532 O SER A 101 22.854 37.132 -3.691 1.00 0.25 O ATOM 1533 CB SER A 101 23.279 40.117 -2.796 1.00 0.22 C ATOM 1534 OG SER A 101 24.066 39.212 -2.032 1.00 0.28 O ATOM 0 H SER A 101 21.656 38.844 -1.341 1.00 0.21 H new ATOM 0 HA SER A 101 21.496 40.055 -4.000 1.00 0.18 H new ATOM 0 HB2 SER A 101 23.875 40.543 -3.603 1.00 0.22 H new ATOM 0 HB3 SER A 101 22.949 40.947 -2.171 1.00 0.22 H new ATOM 0 HG SER A 101 24.843 39.683 -1.665 1.00 0.28 H new ATOM 1540 N ALA A 102 22.571 38.347 -5.511 1.00 0.14 N ATOM 1541 CA ALA A 102 23.009 37.238 -6.418 1.00 0.15 C ATOM 1542 C ALA A 102 24.196 36.486 -5.813 1.00 0.19 C ATOM 1543 O ALA A 102 24.327 35.291 -5.971 1.00 0.22 O ATOM 1544 CB ALA A 102 23.418 37.831 -7.770 1.00 0.13 C ATOM 0 H ALA A 102 22.311 39.210 -5.988 1.00 0.14 H new ATOM 0 HA ALA A 102 22.183 36.538 -6.548 1.00 0.15 H new ATOM 0 HB1 ALA A 102 23.738 37.030 -8.437 1.00 0.13 H new ATOM 0 HB2 ALA A 102 22.568 38.352 -8.211 1.00 0.13 H new ATOM 0 HB3 ALA A 102 24.239 38.533 -7.626 1.00 0.13 H new ATOM 1550 N ALA A 103 25.060 37.169 -5.124 1.00 0.20 N ATOM 1551 CA ALA A 103 26.224 36.472 -4.518 1.00 0.24 C ATOM 1552 C ALA A 103 25.698 35.416 -3.558 1.00 0.21 C ATOM 1553 O ALA A 103 26.003 34.245 -3.668 1.00 0.29 O ATOM 1554 CB ALA A 103 27.097 37.477 -3.766 1.00 0.25 C ATOM 0 H ALA A 103 25.013 38.174 -4.954 1.00 0.20 H new ATOM 0 HA ALA A 103 26.829 36.003 -5.294 1.00 0.24 H new ATOM 0 HB1 ALA A 103 27.949 36.960 -3.324 1.00 0.25 H new ATOM 0 HB2 ALA A 103 27.455 38.238 -4.459 1.00 0.25 H new ATOM 0 HB3 ALA A 103 26.511 37.950 -2.978 1.00 0.25 H new ATOM 1560 N GLU A 104 24.888 35.823 -2.633 1.00 0.13 N ATOM 1561 CA GLU A 104 24.307 34.852 -1.676 1.00 0.10 C ATOM 1562 C GLU A 104 23.549 33.784 -2.472 1.00 0.14 C ATOM 1563 O GLU A 104 23.505 32.632 -2.092 1.00 0.21 O ATOM 1564 CB GLU A 104 23.345 35.587 -0.738 1.00 0.15 C ATOM 1565 CG GLU A 104 24.132 36.262 0.391 1.00 0.50 C ATOM 1566 CD GLU A 104 23.217 37.237 1.138 1.00 0.32 C ATOM 1567 OE1 GLU A 104 22.487 37.957 0.474 1.00 0.03 O ATOM 1568 OE2 GLU A 104 23.259 37.245 2.355 1.00 0.50 O ATOM 0 H GLU A 104 24.601 36.792 -2.496 1.00 0.13 H new ATOM 0 HA GLU A 104 25.091 34.382 -1.083 1.00 0.10 H new ATOM 0 HB2 GLU A 104 22.779 36.333 -1.295 1.00 0.15 H new ATOM 0 HB3 GLU A 104 22.623 34.885 -0.321 1.00 0.15 H new ATOM 0 HG2 GLU A 104 24.519 35.510 1.079 1.00 0.50 H new ATOM 0 HG3 GLU A 104 24.992 36.793 -0.017 1.00 0.50 H new ATOM 1575 N LEU A 105 22.961 34.157 -3.583 1.00 0.13 N ATOM 1576 CA LEU A 105 22.222 33.156 -4.403 1.00 0.19 C ATOM 1577 C LEU A 105 23.216 32.146 -4.962 1.00 0.21 C ATOM 1578 O LEU A 105 23.026 30.951 -4.859 1.00 0.21 O ATOM 1579 CB LEU A 105 21.495 33.851 -5.564 1.00 0.27 C ATOM 1580 CG LEU A 105 20.601 32.828 -6.345 1.00 0.16 C ATOM 1581 CD1 LEU A 105 19.099 32.970 -6.009 1.00 0.18 C ATOM 1582 CD2 LEU A 105 20.769 33.030 -7.848 1.00 0.14 C ATOM 0 H LEU A 105 22.963 35.107 -3.953 1.00 0.13 H new ATOM 0 HA LEU A 105 21.485 32.652 -3.778 1.00 0.19 H new ATOM 0 HB2 LEU A 105 20.877 34.663 -5.180 1.00 0.27 H new ATOM 0 HB3 LEU A 105 22.223 34.297 -6.241 1.00 0.27 H new ATOM 0 HG LEU A 105 20.931 31.835 -6.040 1.00 0.16 H new ATOM 0 HD11 LEU A 105 18.528 32.237 -6.579 1.00 0.18 H new ATOM 0 HD12 LEU A 105 18.947 32.800 -4.943 1.00 0.18 H new ATOM 0 HD13 LEU A 105 18.761 33.974 -6.268 1.00 0.18 H new ATOM 0 HD21 LEU A 105 20.144 32.315 -8.383 1.00 0.14 H new ATOM 0 HD22 LEU A 105 20.470 34.044 -8.115 1.00 0.14 H new ATOM 0 HD23 LEU A 105 21.813 32.876 -8.121 1.00 0.14 H new ATOM 1594 N ARG A 106 24.280 32.612 -5.544 1.00 0.25 N ATOM 1595 CA ARG A 106 25.282 31.666 -6.091 1.00 0.30 C ATOM 1596 C ARG A 106 25.860 30.871 -4.928 1.00 0.31 C ATOM 1597 O ARG A 106 26.206 29.720 -5.064 1.00 0.35 O ATOM 1598 CB ARG A 106 26.403 32.448 -6.800 1.00 0.33 C ATOM 1599 CG ARG A 106 25.967 32.809 -8.232 1.00 0.61 C ATOM 1600 CD ARG A 106 26.854 33.941 -8.814 1.00 0.73 C ATOM 1601 NE ARG A 106 27.357 33.560 -10.180 1.00 1.36 N ATOM 1602 CZ ARG A 106 28.019 32.451 -10.383 1.00 1.58 C ATOM 1603 NH1 ARG A 106 28.338 31.682 -9.380 1.00 1.71 N ATOM 1604 NH2 ARG A 106 28.384 32.126 -11.594 1.00 2.44 N ATOM 0 H ARG A 106 24.498 33.601 -5.664 1.00 0.25 H new ATOM 0 HA ARG A 106 24.818 30.995 -6.814 1.00 0.30 H new ATOM 0 HB2 ARG A 106 26.634 33.355 -6.242 1.00 0.33 H new ATOM 0 HB3 ARG A 106 27.314 31.850 -6.828 1.00 0.33 H new ATOM 0 HG2 ARG A 106 26.032 31.927 -8.869 1.00 0.61 H new ATOM 0 HG3 ARG A 106 24.924 33.124 -8.230 1.00 0.61 H new ATOM 0 HD2 ARG A 106 26.281 34.866 -8.875 1.00 0.73 H new ATOM 0 HD3 ARG A 106 27.696 34.131 -8.149 1.00 0.73 H new ATOM 0 HE ARG A 106 27.177 34.183 -10.968 1.00 1.36 H new ATOM 0 HH11 ARG A 106 28.071 31.944 -8.431 1.00 1.71 H new ATOM 0 HH12 ARG A 106 28.855 30.818 -9.544 1.00 1.71 H new ATOM 0 HH21 ARG A 106 28.153 32.737 -12.378 1.00 2.44 H new ATOM 0 HH22 ARG A 106 28.901 31.262 -11.756 1.00 2.44 H new ATOM 1618 N HIS A 107 25.953 31.484 -3.780 1.00 0.27 N ATOM 1619 CA HIS A 107 26.500 30.779 -2.597 1.00 0.27 C ATOM 1620 C HIS A 107 25.491 29.727 -2.121 1.00 0.27 C ATOM 1621 O HIS A 107 25.860 28.635 -1.737 1.00 0.33 O ATOM 1622 CB HIS A 107 26.758 31.816 -1.495 1.00 0.27 C ATOM 1623 CG HIS A 107 27.816 31.309 -0.556 1.00 0.32 C ATOM 1624 ND1 HIS A 107 29.116 31.062 -0.968 1.00 0.22 N ATOM 1625 CD2 HIS A 107 27.778 31.000 0.775 1.00 0.51 C ATOM 1626 CE1 HIS A 107 29.803 30.622 0.104 1.00 0.31 C ATOM 1627 NE2 HIS A 107 29.031 30.566 1.194 1.00 0.49 N ATOM 0 H HIS A 107 25.670 32.450 -3.614 1.00 0.27 H new ATOM 0 HA HIS A 107 27.433 30.274 -2.847 1.00 0.27 H new ATOM 0 HB2 HIS A 107 27.075 32.760 -1.938 1.00 0.27 H new ATOM 0 HB3 HIS A 107 25.837 32.014 -0.947 1.00 0.27 H new ATOM 0 HD2 HIS A 107 26.906 31.081 1.407 1.00 0.51 H new ATOM 0 HE1 HIS A 107 30.848 30.348 0.085 1.00 0.31 H new ATOM 0 HE2 HIS A 107 29.303 30.269 2.131 1.00 0.49 H new ATOM 1635 N VAL A 108 24.221 30.038 -2.152 1.00 0.22 N ATOM 1636 CA VAL A 108 23.206 29.041 -1.711 1.00 0.22 C ATOM 1637 C VAL A 108 23.323 27.806 -2.597 1.00 0.22 C ATOM 1638 O VAL A 108 23.175 26.686 -2.153 1.00 0.24 O ATOM 1639 CB VAL A 108 21.790 29.603 -1.906 1.00 0.21 C ATOM 1640 CG1 VAL A 108 20.756 28.520 -1.547 1.00 0.27 C ATOM 1641 CG2 VAL A 108 21.583 30.852 -1.027 1.00 0.28 C ATOM 0 H VAL A 108 23.846 30.935 -2.462 1.00 0.22 H new ATOM 0 HA VAL A 108 23.377 28.806 -0.661 1.00 0.22 H new ATOM 0 HB VAL A 108 21.660 29.893 -2.949 1.00 0.21 H new ATOM 0 HG11 VAL A 108 19.750 28.917 -1.685 1.00 0.27 H new ATOM 0 HG12 VAL A 108 20.896 27.654 -2.194 1.00 0.27 H new ATOM 0 HG13 VAL A 108 20.889 28.221 -0.507 1.00 0.27 H new ATOM 0 HG21 VAL A 108 20.575 31.239 -1.176 1.00 0.28 H new ATOM 0 HG22 VAL A 108 21.718 30.586 0.021 1.00 0.28 H new ATOM 0 HG23 VAL A 108 22.309 31.616 -1.304 1.00 0.28 H new ATOM 1651 N MET A 109 23.544 28.018 -3.871 1.00 0.20 N ATOM 1652 CA MET A 109 23.616 26.871 -4.810 1.00 0.20 C ATOM 1653 C MET A 109 24.917 26.069 -4.596 1.00 0.22 C ATOM 1654 O MET A 109 24.949 24.873 -4.815 1.00 0.24 O ATOM 1655 CB MET A 109 23.548 27.388 -6.259 1.00 0.22 C ATOM 1656 CG MET A 109 22.265 28.202 -6.462 1.00 0.19 C ATOM 1657 SD MET A 109 22.463 29.286 -7.899 1.00 0.22 S ATOM 1658 CE MET A 109 21.782 28.157 -9.139 1.00 0.25 C ATOM 0 H MET A 109 23.677 28.936 -4.295 1.00 0.20 H new ATOM 0 HA MET A 109 22.772 26.208 -4.619 1.00 0.20 H new ATOM 0 HB2 MET A 109 24.419 28.006 -6.475 1.00 0.22 H new ATOM 0 HB3 MET A 109 23.571 26.550 -6.955 1.00 0.22 H new ATOM 0 HG2 MET A 109 21.417 27.534 -6.611 1.00 0.19 H new ATOM 0 HG3 MET A 109 22.052 28.794 -5.572 1.00 0.19 H new ATOM 0 HE1 MET A 109 21.906 28.589 -10.132 1.00 0.25 H new ATOM 0 HE2 MET A 109 22.308 27.203 -9.090 1.00 0.25 H new ATOM 0 HE3 MET A 109 20.722 27.997 -8.943 1.00 0.25 H new ATOM 1668 N THR A 110 25.994 26.706 -4.190 1.00 0.22 N ATOM 1669 CA THR A 110 27.274 25.971 -3.991 1.00 0.24 C ATOM 1670 C THR A 110 27.325 25.344 -2.584 1.00 0.29 C ATOM 1671 O THR A 110 27.754 24.217 -2.418 1.00 0.34 O ATOM 1672 CB THR A 110 28.433 26.980 -4.183 1.00 0.22 C ATOM 1673 OG1 THR A 110 27.897 28.227 -4.583 1.00 0.18 O ATOM 1674 CG2 THR A 110 29.400 26.492 -5.263 1.00 0.32 C ATOM 0 H THR A 110 26.035 27.705 -3.989 1.00 0.22 H new ATOM 0 HA THR A 110 27.360 25.158 -4.712 1.00 0.24 H new ATOM 0 HB THR A 110 28.972 27.077 -3.241 1.00 0.22 H new ATOM 0 HG1 THR A 110 27.848 28.263 -5.561 1.00 0.18 H new ATOM 0 HG21 THR A 110 30.207 27.215 -5.383 1.00 0.32 H new ATOM 0 HG22 THR A 110 29.817 25.528 -4.970 1.00 0.32 H new ATOM 0 HG23 THR A 110 28.866 26.384 -6.207 1.00 0.32 H new ATOM 1682 N ASN A 111 26.913 26.063 -1.572 1.00 0.29 N ATOM 1683 CA ASN A 111 26.970 25.499 -0.190 1.00 0.35 C ATOM 1684 C ASN A 111 26.151 24.217 -0.117 1.00 0.36 C ATOM 1685 O ASN A 111 26.465 23.304 0.623 1.00 0.42 O ATOM 1686 CB ASN A 111 26.410 26.519 0.805 1.00 0.32 C ATOM 1687 CG ASN A 111 26.429 25.919 2.213 1.00 0.70 C ATOM 1688 OD1 ASN A 111 25.406 25.515 2.727 1.00 1.47 O ATOM 1689 ND2 ASN A 111 27.560 25.842 2.861 1.00 0.84 N ATOM 0 H ASN A 111 26.542 27.010 -1.641 1.00 0.29 H new ATOM 0 HA ASN A 111 28.007 25.276 0.060 1.00 0.35 H new ATOM 0 HB2 ASN A 111 27.004 27.433 0.779 1.00 0.32 H new ATOM 0 HB3 ASN A 111 25.392 26.793 0.528 1.00 0.32 H new ATOM 0 HD21 ASN A 111 27.584 25.442 3.799 1.00 0.84 H new ATOM 0 HD22 ASN A 111 28.419 26.181 2.429 1.00 0.84 H new ATOM 1696 N LEU A 112 25.103 24.148 -0.867 1.00 0.33 N ATOM 1697 CA LEU A 112 24.240 22.928 -0.840 1.00 0.37 C ATOM 1698 C LEU A 112 25.055 21.705 -1.244 1.00 0.44 C ATOM 1699 O LEU A 112 24.753 20.585 -0.882 1.00 0.48 O ATOM 1700 CB LEU A 112 23.054 23.123 -1.806 1.00 0.33 C ATOM 1701 CG LEU A 112 21.861 23.751 -1.058 1.00 0.30 C ATOM 1702 CD1 LEU A 112 20.914 24.434 -2.051 1.00 0.36 C ATOM 1703 CD2 LEU A 112 21.083 22.670 -0.292 1.00 0.16 C ATOM 0 H LEU A 112 24.796 24.882 -1.505 1.00 0.33 H new ATOM 0 HA LEU A 112 23.859 22.772 0.169 1.00 0.37 H new ATOM 0 HB2 LEU A 112 23.352 23.764 -2.635 1.00 0.33 H new ATOM 0 HB3 LEU A 112 22.761 22.164 -2.234 1.00 0.33 H new ATOM 0 HG LEU A 112 22.249 24.488 -0.355 1.00 0.30 H new ATOM 0 HD11 LEU A 112 20.076 24.874 -1.511 1.00 0.36 H new ATOM 0 HD12 LEU A 112 21.451 25.217 -2.586 1.00 0.36 H new ATOM 0 HD13 LEU A 112 20.541 23.698 -2.763 1.00 0.36 H new ATOM 0 HD21 LEU A 112 20.244 23.128 0.231 1.00 0.16 H new ATOM 0 HD22 LEU A 112 20.710 21.924 -0.994 1.00 0.16 H new ATOM 0 HD23 LEU A 112 21.743 22.190 0.431 1.00 0.16 H new ATOM 1715 N GLY A 113 26.076 21.926 -1.984 1.00 0.46 N ATOM 1716 CA GLY A 113 26.946 20.802 -2.435 1.00 0.53 C ATOM 1717 C GLY A 113 26.330 20.136 -3.666 1.00 0.42 C ATOM 1718 O GLY A 113 26.446 18.943 -3.862 1.00 0.40 O ATOM 0 H GLY A 113 26.364 22.849 -2.310 1.00 0.46 H new ATOM 0 HA2 GLY A 113 27.943 21.173 -2.671 1.00 0.53 H new ATOM 0 HA3 GLY A 113 27.059 20.072 -1.633 1.00 0.53 H new ATOM 1722 N GLU A 114 25.675 20.900 -4.498 1.00 0.39 N ATOM 1723 CA GLU A 114 25.058 20.316 -5.716 1.00 0.30 C ATOM 1724 C GLU A 114 26.154 20.125 -6.781 1.00 0.32 C ATOM 1725 O GLU A 114 27.061 20.926 -6.884 1.00 0.42 O ATOM 1726 CB GLU A 114 23.978 21.271 -6.242 1.00 0.29 C ATOM 1727 CG GLU A 114 22.710 21.134 -5.394 1.00 0.23 C ATOM 1728 CD GLU A 114 21.724 22.242 -5.767 1.00 1.38 C ATOM 1729 OE1 GLU A 114 22.179 23.311 -6.139 1.00 2.64 O ATOM 1730 OE2 GLU A 114 20.532 22.003 -5.672 1.00 1.47 O ATOM 0 H GLU A 114 25.542 21.905 -4.384 1.00 0.39 H new ATOM 0 HA GLU A 114 24.601 19.354 -5.485 1.00 0.30 H new ATOM 0 HB2 GLU A 114 24.340 22.299 -6.209 1.00 0.29 H new ATOM 0 HB3 GLU A 114 23.756 21.045 -7.285 1.00 0.29 H new ATOM 0 HG2 GLU A 114 22.254 20.157 -5.557 1.00 0.23 H new ATOM 0 HG3 GLU A 114 22.960 21.196 -4.335 1.00 0.23 H new ATOM 1737 N LYS A 115 26.097 19.070 -7.565 1.00 0.38 N ATOM 1738 CA LYS A 115 27.157 18.851 -8.592 1.00 0.43 C ATOM 1739 C LYS A 115 26.878 19.707 -9.819 1.00 0.36 C ATOM 1740 O LYS A 115 27.101 19.309 -10.946 1.00 0.50 O ATOM 1741 CB LYS A 115 27.176 17.382 -8.994 1.00 0.63 C ATOM 1742 CG LYS A 115 27.881 16.555 -7.914 1.00 0.77 C ATOM 1743 CD LYS A 115 27.967 15.096 -8.365 1.00 0.93 C ATOM 1744 CE LYS A 115 28.415 14.227 -7.190 1.00 1.75 C ATOM 1745 NZ LYS A 115 29.719 14.727 -6.671 1.00 3.06 N ATOM 0 H LYS A 115 25.366 18.359 -7.535 1.00 0.38 H new ATOM 0 HA LYS A 115 28.124 19.131 -8.173 1.00 0.43 H new ATOM 0 HB2 LYS A 115 26.157 17.021 -9.134 1.00 0.63 H new ATOM 0 HB3 LYS A 115 27.690 17.264 -9.948 1.00 0.63 H new ATOM 0 HG2 LYS A 115 28.880 16.950 -7.733 1.00 0.77 H new ATOM 0 HG3 LYS A 115 27.335 16.625 -6.973 1.00 0.77 H new ATOM 0 HD2 LYS A 115 26.997 14.759 -8.732 1.00 0.93 H new ATOM 0 HD3 LYS A 115 28.671 15.000 -9.192 1.00 0.93 H new ATOM 0 HE2 LYS A 115 27.664 14.250 -6.400 1.00 1.75 H new ATOM 0 HE3 LYS A 115 28.512 13.189 -7.508 1.00 1.75 H new ATOM 0 HZ1 LYS A 115 30.163 13.993 -6.082 1.00 3.06 H new ATOM 0 HZ2 LYS A 115 30.345 14.956 -7.469 1.00 3.06 H new ATOM 0 HZ3 LYS A 115 29.561 15.581 -6.099 1.00 3.06 H new ATOM 1759 N LEU A 116 26.411 20.885 -9.596 1.00 0.22 N ATOM 1760 CA LEU A 116 26.120 21.815 -10.730 1.00 0.33 C ATOM 1761 C LEU A 116 27.394 22.589 -11.073 1.00 0.27 C ATOM 1762 O LEU A 116 28.074 23.095 -10.204 1.00 0.20 O ATOM 1763 CB LEU A 116 25.018 22.804 -10.328 1.00 0.39 C ATOM 1764 CG LEU A 116 23.703 22.049 -10.052 1.00 1.27 C ATOM 1765 CD1 LEU A 116 22.807 22.886 -9.132 1.00 1.70 C ATOM 1766 CD2 LEU A 116 22.954 21.784 -11.367 1.00 1.78 C ATOM 0 H LEU A 116 26.211 21.261 -8.669 1.00 0.22 H new ATOM 0 HA LEU A 116 25.784 21.241 -11.594 1.00 0.33 H new ATOM 0 HB2 LEU A 116 25.322 23.357 -9.440 1.00 0.39 H new ATOM 0 HB3 LEU A 116 24.867 23.535 -11.123 1.00 0.39 H new ATOM 0 HG LEU A 116 23.944 21.100 -9.574 1.00 1.27 H new ATOM 0 HD11 LEU A 116 21.879 22.348 -8.940 1.00 1.70 H new ATOM 0 HD12 LEU A 116 23.323 23.068 -8.189 1.00 1.70 H new ATOM 0 HD13 LEU A 116 22.582 23.838 -9.612 1.00 1.70 H new ATOM 0 HD21 LEU A 116 22.027 21.250 -11.157 1.00 1.78 H new ATOM 0 HD22 LEU A 116 22.724 22.733 -11.852 1.00 1.78 H new ATOM 0 HD23 LEU A 116 23.578 21.181 -12.026 1.00 1.78 H new ATOM 1778 N THR A 117 27.729 22.679 -12.330 1.00 0.43 N ATOM 1779 CA THR A 117 28.967 23.416 -12.718 1.00 0.39 C ATOM 1780 C THR A 117 28.692 24.920 -12.724 1.00 0.38 C ATOM 1781 O THR A 117 27.607 25.362 -13.046 1.00 0.38 O ATOM 1782 CB THR A 117 29.412 22.977 -14.116 1.00 0.36 C ATOM 1783 OG1 THR A 117 28.331 23.138 -15.026 1.00 0.42 O ATOM 1784 CG2 THR A 117 29.838 21.508 -14.084 1.00 0.35 C ATOM 0 H THR A 117 27.202 22.276 -13.104 1.00 0.43 H new ATOM 0 HA THR A 117 29.755 23.193 -11.998 1.00 0.39 H new ATOM 0 HB THR A 117 30.255 23.589 -14.437 1.00 0.36 H new ATOM 0 HG1 THR A 117 27.691 22.406 -14.906 1.00 0.42 H new ATOM 0 HG21 THR A 117 30.154 21.199 -15.080 1.00 0.35 H new ATOM 0 HG22 THR A 117 30.666 21.384 -13.386 1.00 0.35 H new ATOM 0 HG23 THR A 117 28.998 20.892 -13.763 1.00 0.35 H new ATOM 1792 N ASP A 118 29.668 25.709 -12.374 1.00 0.39 N ATOM 1793 CA ASP A 118 29.465 27.185 -12.362 1.00 0.39 C ATOM 1794 C ASP A 118 28.875 27.623 -13.705 1.00 0.40 C ATOM 1795 O ASP A 118 28.122 28.573 -13.783 1.00 0.54 O ATOM 1796 CB ASP A 118 30.810 27.884 -12.148 1.00 0.38 C ATOM 1797 CG ASP A 118 31.402 27.456 -10.804 1.00 0.45 C ATOM 1798 OD1 ASP A 118 30.646 26.999 -9.963 1.00 1.17 O ATOM 1799 OD2 ASP A 118 32.602 27.596 -10.637 1.00 0.94 O ATOM 0 H ASP A 118 30.598 25.396 -12.096 1.00 0.39 H new ATOM 0 HA ASP A 118 28.783 27.453 -11.555 1.00 0.39 H new ATOM 0 HB2 ASP A 118 31.496 27.630 -12.956 1.00 0.38 H new ATOM 0 HB3 ASP A 118 30.677 28.966 -12.170 1.00 0.38 H new ATOM 1804 N GLU A 119 29.213 26.938 -14.763 1.00 0.27 N ATOM 1805 CA GLU A 119 28.676 27.313 -16.102 1.00 0.29 C ATOM 1806 C GLU A 119 27.157 27.134 -16.112 1.00 0.32 C ATOM 1807 O GLU A 119 26.422 28.007 -16.533 1.00 0.35 O ATOM 1808 CB GLU A 119 29.298 26.417 -17.175 1.00 0.31 C ATOM 1809 CG GLU A 119 30.778 26.767 -17.336 1.00 0.25 C ATOM 1810 CD GLU A 119 31.524 26.443 -16.039 1.00 1.12 C ATOM 1811 OE1 GLU A 119 31.637 25.270 -15.721 1.00 1.55 O ATOM 1812 OE2 GLU A 119 31.971 27.370 -15.388 1.00 2.02 O ATOM 0 H GLU A 119 29.839 26.133 -14.758 1.00 0.27 H new ATOM 0 HA GLU A 119 28.923 28.354 -16.310 1.00 0.29 H new ATOM 0 HB2 GLU A 119 29.189 25.369 -16.896 1.00 0.31 H new ATOM 0 HB3 GLU A 119 28.776 26.551 -18.123 1.00 0.31 H new ATOM 0 HG2 GLU A 119 31.207 26.205 -18.165 1.00 0.25 H new ATOM 0 HG3 GLU A 119 30.888 27.824 -17.577 1.00 0.25 H new ATOM 1819 N GLU A 120 26.677 26.011 -15.652 1.00 0.32 N ATOM 1820 CA GLU A 120 25.205 25.783 -15.637 1.00 0.36 C ATOM 1821 C GLU A 120 24.530 26.938 -14.897 1.00 0.37 C ATOM 1822 O GLU A 120 23.442 27.356 -15.235 1.00 0.47 O ATOM 1823 CB GLU A 120 24.893 24.462 -14.925 1.00 0.36 C ATOM 1824 CG GLU A 120 25.201 23.287 -15.859 1.00 0.35 C ATOM 1825 CD GLU A 120 24.967 21.970 -15.116 1.00 0.40 C ATOM 1826 OE1 GLU A 120 23.816 21.600 -14.957 1.00 0.91 O ATOM 1827 OE2 GLU A 120 25.943 21.355 -14.721 1.00 0.72 O ATOM 0 H GLU A 120 27.240 25.243 -15.287 1.00 0.32 H new ATOM 0 HA GLU A 120 24.831 25.732 -16.660 1.00 0.36 H new ATOM 0 HB2 GLU A 120 25.486 24.380 -14.014 1.00 0.36 H new ATOM 0 HB3 GLU A 120 23.845 24.437 -14.627 1.00 0.36 H new ATOM 0 HG2 GLU A 120 24.566 23.336 -16.744 1.00 0.35 H new ATOM 0 HG3 GLU A 120 26.233 23.344 -16.204 1.00 0.35 H new ATOM 1834 N VAL A 121 25.174 27.459 -13.891 1.00 0.29 N ATOM 1835 CA VAL A 121 24.581 28.589 -13.125 1.00 0.32 C ATOM 1836 C VAL A 121 24.665 29.866 -13.960 1.00 0.33 C ATOM 1837 O VAL A 121 23.760 30.676 -13.972 1.00 0.36 O ATOM 1838 CB VAL A 121 25.354 28.768 -11.819 1.00 0.35 C ATOM 1839 CG1 VAL A 121 24.879 30.032 -11.108 1.00 0.43 C ATOM 1840 CG2 VAL A 121 25.112 27.555 -10.919 1.00 0.40 C ATOM 0 H VAL A 121 26.090 27.149 -13.565 1.00 0.29 H new ATOM 0 HA VAL A 121 23.536 28.378 -12.900 1.00 0.32 H new ATOM 0 HB VAL A 121 26.418 28.857 -12.037 1.00 0.35 H new ATOM 0 HG11 VAL A 121 25.433 30.156 -10.177 1.00 0.43 H new ATOM 0 HG12 VAL A 121 25.050 30.896 -11.750 1.00 0.43 H new ATOM 0 HG13 VAL A 121 23.815 29.948 -10.888 1.00 0.43 H new ATOM 0 HG21 VAL A 121 25.662 27.679 -9.986 1.00 0.40 H new ATOM 0 HG22 VAL A 121 24.047 27.468 -10.704 1.00 0.40 H new ATOM 0 HG23 VAL A 121 25.455 26.652 -11.425 1.00 0.40 H new ATOM 1850 N ASP A 122 25.745 30.044 -14.657 1.00 0.32 N ATOM 1851 CA ASP A 122 25.900 31.263 -15.501 1.00 0.33 C ATOM 1852 C ASP A 122 24.751 31.333 -16.510 1.00 0.30 C ATOM 1853 O ASP A 122 24.247 32.393 -16.817 1.00 0.32 O ATOM 1854 CB ASP A 122 27.239 31.204 -16.245 1.00 0.36 C ATOM 1855 CG ASP A 122 28.378 31.534 -15.277 1.00 0.31 C ATOM 1856 OD1 ASP A 122 28.090 31.773 -14.115 1.00 1.33 O ATOM 1857 OD2 ASP A 122 29.516 31.542 -15.715 1.00 1.00 O ATOM 0 H ASP A 122 26.533 29.397 -14.682 1.00 0.32 H new ATOM 0 HA ASP A 122 25.879 32.150 -14.868 1.00 0.33 H new ATOM 0 HB2 ASP A 122 27.386 30.212 -16.671 1.00 0.36 H new ATOM 0 HB3 ASP A 122 27.237 31.911 -17.075 1.00 0.36 H new ATOM 1862 N GLU A 123 24.321 30.208 -17.019 1.00 0.25 N ATOM 1863 CA GLU A 123 23.194 30.216 -17.995 1.00 0.22 C ATOM 1864 C GLU A 123 21.903 30.541 -17.233 1.00 0.20 C ATOM 1865 O GLU A 123 21.056 31.271 -17.707 1.00 0.20 O ATOM 1866 CB GLU A 123 23.079 28.831 -18.666 1.00 0.19 C ATOM 1867 CG GLU A 123 23.975 28.771 -19.912 1.00 1.53 C ATOM 1868 CD GLU A 123 23.932 27.360 -20.503 1.00 1.79 C ATOM 1869 OE1 GLU A 123 22.854 26.790 -20.546 1.00 1.25 O ATOM 1870 OE2 GLU A 123 24.977 26.874 -20.903 1.00 2.90 O ATOM 0 H GLU A 123 24.701 29.287 -16.801 1.00 0.25 H new ATOM 0 HA GLU A 123 23.367 30.963 -18.770 1.00 0.22 H new ATOM 0 HB2 GLU A 123 23.370 28.052 -17.962 1.00 0.19 H new ATOM 0 HB3 GLU A 123 22.043 28.638 -18.944 1.00 0.19 H new ATOM 0 HG2 GLU A 123 23.637 29.497 -20.651 1.00 1.53 H new ATOM 0 HG3 GLU A 123 24.999 29.036 -19.650 1.00 1.53 H new ATOM 1877 N MET A 124 21.765 30.015 -16.049 1.00 0.19 N ATOM 1878 CA MET A 124 20.550 30.299 -15.236 1.00 0.17 C ATOM 1879 C MET A 124 20.519 31.791 -14.886 1.00 0.15 C ATOM 1880 O MET A 124 19.472 32.372 -14.685 1.00 0.16 O ATOM 1881 CB MET A 124 20.586 29.440 -13.984 1.00 0.16 C ATOM 1882 CG MET A 124 20.456 27.966 -14.376 1.00 0.17 C ATOM 1883 SD MET A 124 20.896 26.926 -12.961 1.00 0.49 S ATOM 1884 CE MET A 124 20.366 25.347 -13.668 1.00 0.59 C ATOM 0 H MET A 124 22.445 29.397 -15.607 1.00 0.19 H new ATOM 0 HA MET A 124 19.646 30.059 -15.795 1.00 0.17 H new ATOM 0 HB2 MET A 124 21.519 29.603 -13.444 1.00 0.16 H new ATOM 0 HB3 MET A 124 19.775 29.722 -13.312 1.00 0.16 H new ATOM 0 HG2 MET A 124 19.436 27.752 -14.695 1.00 0.17 H new ATOM 0 HG3 MET A 124 21.108 27.744 -15.221 1.00 0.17 H new ATOM 0 HE1 MET A 124 20.549 24.547 -12.950 1.00 0.59 H new ATOM 0 HE2 MET A 124 19.302 25.391 -13.899 1.00 0.59 H new ATOM 0 HE3 MET A 124 20.928 25.150 -14.581 1.00 0.59 H new ATOM 1894 N ILE A 125 21.664 32.418 -14.833 1.00 0.14 N ATOM 1895 CA ILE A 125 21.719 33.879 -14.522 1.00 0.13 C ATOM 1896 C ILE A 125 21.330 34.690 -15.772 1.00 0.14 C ATOM 1897 O ILE A 125 20.817 35.788 -15.671 1.00 0.15 O ATOM 1898 CB ILE A 125 23.152 34.235 -14.091 1.00 0.11 C ATOM 1899 CG1 ILE A 125 23.390 33.699 -12.669 1.00 0.09 C ATOM 1900 CG2 ILE A 125 23.347 35.759 -14.112 1.00 0.10 C ATOM 1901 CD1 ILE A 125 24.850 33.909 -12.257 1.00 0.07 C ATOM 0 H ILE A 125 22.571 31.979 -14.993 1.00 0.14 H new ATOM 0 HA ILE A 125 21.022 34.117 -13.719 1.00 0.13 H new ATOM 0 HB ILE A 125 23.864 33.784 -14.782 1.00 0.11 H new ATOM 0 HG12 ILE A 125 22.730 34.208 -11.966 1.00 0.09 H new ATOM 0 HG13 ILE A 125 23.143 32.638 -12.627 1.00 0.09 H new ATOM 0 HG21 ILE A 125 24.365 36.000 -13.805 1.00 0.10 H new ATOM 0 HG22 ILE A 125 23.174 36.134 -15.121 1.00 0.10 H new ATOM 0 HG23 ILE A 125 22.641 36.226 -13.425 1.00 0.10 H new ATOM 0 HD11 ILE A 125 25.002 33.525 -11.248 1.00 0.07 H new ATOM 0 HD12 ILE A 125 25.503 33.379 -12.950 1.00 0.07 H new ATOM 0 HD13 ILE A 125 25.085 34.973 -12.279 1.00 0.07 H new ATOM 1913 N ARG A 126 21.586 34.172 -16.944 1.00 0.15 N ATOM 1914 CA ARG A 126 21.247 34.923 -18.192 1.00 0.16 C ATOM 1915 C ARG A 126 19.742 35.224 -18.240 1.00 0.15 C ATOM 1916 O ARG A 126 19.340 36.354 -18.441 1.00 0.15 O ATOM 1917 CB ARG A 126 21.656 34.086 -19.420 1.00 0.18 C ATOM 1918 CG ARG A 126 23.147 34.309 -19.752 1.00 0.30 C ATOM 1919 CD ARG A 126 23.314 35.554 -20.633 1.00 1.15 C ATOM 1920 NE ARG A 126 24.742 35.678 -21.049 1.00 1.64 N ATOM 1921 CZ ARG A 126 25.074 36.485 -22.020 1.00 2.37 C ATOM 1922 NH1 ARG A 126 24.157 37.195 -22.622 1.00 3.26 N ATOM 1923 NH2 ARG A 126 26.320 36.584 -22.390 1.00 2.78 N ATOM 0 H ARG A 126 22.016 33.259 -17.093 1.00 0.15 H new ATOM 0 HA ARG A 126 21.790 35.868 -18.199 1.00 0.16 H new ATOM 0 HB2 ARG A 126 21.475 33.029 -19.224 1.00 0.18 H new ATOM 0 HB3 ARG A 126 21.041 34.361 -20.277 1.00 0.18 H new ATOM 0 HG2 ARG A 126 23.718 34.427 -18.831 1.00 0.30 H new ATOM 0 HG3 ARG A 126 23.547 33.435 -20.266 1.00 0.30 H new ATOM 0 HD2 ARG A 126 22.673 35.480 -21.511 1.00 1.15 H new ATOM 0 HD3 ARG A 126 23.004 36.445 -20.086 1.00 1.15 H new ATOM 0 HE ARG A 126 25.460 35.131 -20.574 1.00 1.64 H new ATOM 0 HH11 ARG A 126 23.182 37.119 -22.333 1.00 3.26 H new ATOM 0 HH12 ARG A 126 24.417 37.826 -23.381 1.00 3.26 H new ATOM 0 HH21 ARG A 126 27.037 36.031 -21.921 1.00 2.78 H new ATOM 0 HH22 ARG A 126 26.578 37.215 -23.149 1.00 2.78 H new ATOM 1937 N GLU A 127 18.903 34.232 -18.085 1.00 0.15 N ATOM 1938 CA GLU A 127 17.431 34.496 -18.157 1.00 0.15 C ATOM 1939 C GLU A 127 16.929 35.090 -16.826 1.00 0.14 C ATOM 1940 O GLU A 127 15.900 35.733 -16.784 1.00 0.12 O ATOM 1941 CB GLU A 127 16.682 33.188 -18.469 1.00 0.15 C ATOM 1942 CG GLU A 127 16.756 32.899 -19.974 1.00 0.15 C ATOM 1943 CD GLU A 127 15.866 33.888 -20.729 1.00 1.61 C ATOM 1944 OE1 GLU A 127 14.855 34.288 -20.175 1.00 2.46 O ATOM 1945 OE2 GLU A 127 16.210 34.227 -21.848 1.00 2.38 O ATOM 0 H GLU A 127 19.167 33.262 -17.914 1.00 0.15 H new ATOM 0 HA GLU A 127 17.239 35.216 -18.953 1.00 0.15 H new ATOM 0 HB2 GLU A 127 17.121 32.363 -17.908 1.00 0.15 H new ATOM 0 HB3 GLU A 127 15.641 33.269 -18.155 1.00 0.15 H new ATOM 0 HG2 GLU A 127 17.786 32.983 -20.321 1.00 0.15 H new ATOM 0 HG3 GLU A 127 16.434 31.877 -20.175 1.00 0.15 H new ATOM 1952 N ALA A 128 17.662 34.930 -15.750 1.00 0.15 N ATOM 1953 CA ALA A 128 17.246 35.533 -14.462 1.00 0.13 C ATOM 1954 C ALA A 128 17.875 36.904 -14.399 1.00 0.14 C ATOM 1955 O ALA A 128 18.856 37.093 -13.720 1.00 0.16 O ATOM 1956 CB ALA A 128 17.757 34.718 -13.280 1.00 0.13 C ATOM 0 H ALA A 128 18.535 34.403 -15.717 1.00 0.15 H new ATOM 0 HA ALA A 128 16.158 35.568 -14.407 1.00 0.13 H new ATOM 0 HB1 ALA A 128 17.436 35.186 -12.349 1.00 0.13 H new ATOM 0 HB2 ALA A 128 17.356 33.706 -13.335 1.00 0.13 H new ATOM 0 HB3 ALA A 128 18.846 34.678 -13.309 1.00 0.13 H new ATOM 1962 N ASP A 129 17.338 37.832 -15.129 1.00 0.17 N ATOM 1963 CA ASP A 129 17.896 39.223 -15.172 1.00 0.20 C ATOM 1964 C ASP A 129 18.350 39.628 -13.765 1.00 0.14 C ATOM 1965 O ASP A 129 17.635 40.247 -13.001 1.00 0.12 O ATOM 1966 CB ASP A 129 16.807 40.181 -15.678 1.00 0.25 C ATOM 1967 CG ASP A 129 15.901 39.449 -16.673 1.00 1.10 C ATOM 1968 OD1 ASP A 129 16.337 39.223 -17.787 1.00 2.03 O ATOM 1969 OD2 ASP A 129 14.785 39.123 -16.298 1.00 1.46 O ATOM 0 H ASP A 129 16.515 37.690 -15.715 1.00 0.17 H new ATOM 0 HA ASP A 129 18.752 39.267 -15.845 1.00 0.20 H new ATOM 0 HB2 ASP A 129 16.218 40.553 -14.840 1.00 0.25 H new ATOM 0 HB3 ASP A 129 17.264 41.047 -16.156 1.00 0.25 H new ATOM 1974 N ILE A 130 19.527 39.198 -13.422 1.00 0.17 N ATOM 1975 CA ILE A 130 20.089 39.436 -12.067 1.00 0.18 C ATOM 1976 C ILE A 130 20.659 40.846 -11.934 1.00 0.22 C ATOM 1977 O ILE A 130 21.173 41.240 -10.906 1.00 0.43 O ATOM 1978 CB ILE A 130 21.176 38.359 -11.866 1.00 0.17 C ATOM 1979 CG1 ILE A 130 20.527 36.981 -11.450 1.00 0.20 C ATOM 1980 CG2 ILE A 130 22.239 38.836 -10.876 1.00 0.15 C ATOM 1981 CD1 ILE A 130 21.227 36.352 -10.229 1.00 0.20 C ATOM 0 H ILE A 130 20.143 38.675 -14.044 1.00 0.17 H new ATOM 0 HA ILE A 130 19.317 39.364 -11.301 1.00 0.18 H new ATOM 0 HB ILE A 130 21.686 38.192 -12.815 1.00 0.17 H new ATOM 0 HG12 ILE A 130 19.472 37.132 -11.223 1.00 0.20 H new ATOM 0 HG13 ILE A 130 20.577 36.289 -12.291 1.00 0.20 H new ATOM 0 HG21 ILE A 130 22.994 38.060 -10.751 1.00 0.15 H new ATOM 0 HG22 ILE A 130 22.710 39.742 -11.256 1.00 0.15 H new ATOM 0 HG23 ILE A 130 21.772 39.046 -9.914 1.00 0.15 H new ATOM 0 HD11 ILE A 130 20.745 35.406 -9.981 1.00 0.20 H new ATOM 0 HD12 ILE A 130 22.277 36.174 -10.463 1.00 0.20 H new ATOM 0 HD13 ILE A 130 21.155 37.030 -9.379 1.00 0.20 H new ATOM 1993 N ASP A 131 20.532 41.587 -12.951 1.00 0.16 N ATOM 1994 CA ASP A 131 21.005 42.987 -12.976 1.00 0.16 C ATOM 1995 C ASP A 131 19.773 43.858 -13.084 1.00 0.35 C ATOM 1996 O ASP A 131 18.693 43.472 -12.682 1.00 0.47 O ATOM 1997 CB ASP A 131 21.938 43.203 -14.185 1.00 0.21 C ATOM 1998 CG ASP A 131 22.679 44.533 -14.023 1.00 0.16 C ATOM 1999 OD1 ASP A 131 23.474 44.636 -13.103 1.00 1.17 O ATOM 2000 OD2 ASP A 131 22.440 45.421 -14.820 1.00 0.95 O ATOM 0 H ASP A 131 20.099 41.279 -13.822 1.00 0.16 H new ATOM 0 HA ASP A 131 21.572 43.235 -12.079 1.00 0.16 H new ATOM 0 HB2 ASP A 131 22.652 42.383 -14.259 1.00 0.21 H new ATOM 0 HB3 ASP A 131 21.360 43.206 -15.109 1.00 0.21 H new ATOM 2005 N GLY A 132 19.911 45.020 -13.605 1.00 0.45 N ATOM 2006 CA GLY A 132 18.732 45.912 -13.710 1.00 0.71 C ATOM 2007 C GLY A 132 18.349 46.388 -12.306 1.00 0.72 C ATOM 2008 O GLY A 132 17.829 47.472 -12.131 1.00 0.88 O ATOM 0 H GLY A 132 20.785 45.402 -13.966 1.00 0.45 H new ATOM 0 HA2 GLY A 132 18.960 46.765 -14.349 1.00 0.71 H new ATOM 0 HA3 GLY A 132 17.898 45.383 -14.170 1.00 0.71 H new ATOM 2012 N ASP A 133 18.612 45.580 -11.301 1.00 0.57 N ATOM 2013 CA ASP A 133 18.275 45.973 -9.893 1.00 0.57 C ATOM 2014 C ASP A 133 19.485 45.710 -8.996 1.00 0.34 C ATOM 2015 O ASP A 133 20.271 46.595 -8.718 1.00 0.25 O ATOM 2016 CB ASP A 133 17.086 45.139 -9.404 1.00 0.69 C ATOM 2017 CG ASP A 133 15.791 45.688 -10.006 1.00 1.64 C ATOM 2018 OD1 ASP A 133 15.322 46.705 -9.526 1.00 1.53 O ATOM 2019 OD2 ASP A 133 15.291 45.080 -10.940 1.00 3.01 O ATOM 0 H ASP A 133 19.047 44.662 -11.397 1.00 0.57 H new ATOM 0 HA ASP A 133 18.015 47.031 -9.858 1.00 0.57 H new ATOM 0 HB2 ASP A 133 17.218 44.096 -9.691 1.00 0.69 H new ATOM 0 HB3 ASP A 133 17.033 45.166 -8.316 1.00 0.69 H new ATOM 2024 N GLY A 134 19.644 44.497 -8.541 1.00 0.26 N ATOM 2025 CA GLY A 134 20.807 44.168 -7.662 1.00 0.08 C ATOM 2026 C GLY A 134 20.473 42.955 -6.791 1.00 0.07 C ATOM 2027 O GLY A 134 21.341 42.193 -6.415 1.00 0.12 O ATOM 0 H GLY A 134 19.018 43.716 -8.740 1.00 0.26 H new ATOM 0 HA2 GLY A 134 21.687 43.959 -8.271 1.00 0.08 H new ATOM 0 HA3 GLY A 134 21.051 45.023 -7.032 1.00 0.08 H new ATOM 2031 N GLN A 135 19.214 42.776 -6.474 1.00 0.06 N ATOM 2032 CA GLN A 135 18.783 41.613 -5.630 1.00 0.05 C ATOM 2033 C GLN A 135 17.752 40.789 -6.407 1.00 0.03 C ATOM 2034 O GLN A 135 17.065 41.302 -7.269 1.00 0.05 O ATOM 2035 CB GLN A 135 18.203 42.136 -4.296 1.00 0.10 C ATOM 2036 CG GLN A 135 16.767 42.686 -4.442 1.00 2.22 C ATOM 2037 CD GLN A 135 16.190 42.931 -3.046 1.00 2.43 C ATOM 2038 OE1 GLN A 135 15.059 43.356 -2.910 1.00 3.69 O ATOM 2039 NE2 GLN A 135 16.925 42.684 -1.997 1.00 1.71 N ATOM 0 H GLN A 135 18.456 43.393 -6.767 1.00 0.06 H new ATOM 0 HA GLN A 135 19.633 40.970 -5.399 1.00 0.05 H new ATOM 0 HB2 GLN A 135 18.205 41.329 -3.563 1.00 0.10 H new ATOM 0 HB3 GLN A 135 18.850 42.922 -3.907 1.00 0.10 H new ATOM 0 HG2 GLN A 135 16.774 43.613 -5.016 1.00 2.22 H new ATOM 0 HG3 GLN A 135 16.145 41.977 -4.989 1.00 2.22 H new ATOM 0 HE21 GLN A 135 17.874 42.327 -2.112 1.00 1.71 H new ATOM 0 HE22 GLN A 135 16.551 42.847 -1.062 1.00 1.71 H new ATOM 2048 N VAL A 136 17.651 39.512 -6.133 1.00 0.08 N ATOM 2049 CA VAL A 136 16.681 38.657 -6.878 1.00 0.11 C ATOM 2050 C VAL A 136 16.063 37.639 -5.915 1.00 0.20 C ATOM 2051 O VAL A 136 16.692 37.202 -4.973 1.00 0.23 O ATOM 2052 CB VAL A 136 17.452 37.894 -7.973 1.00 0.08 C ATOM 2053 CG1 VAL A 136 16.532 37.512 -9.146 1.00 0.09 C ATOM 2054 CG2 VAL A 136 18.604 38.753 -8.500 1.00 0.04 C ATOM 0 H VAL A 136 18.200 39.026 -5.424 1.00 0.08 H new ATOM 0 HA VAL A 136 15.896 39.274 -7.317 1.00 0.11 H new ATOM 0 HB VAL A 136 17.843 36.980 -7.525 1.00 0.08 H new ATOM 0 HG11 VAL A 136 17.108 36.975 -9.900 1.00 0.09 H new ATOM 0 HG12 VAL A 136 15.726 36.874 -8.783 1.00 0.09 H new ATOM 0 HG13 VAL A 136 16.110 38.415 -9.587 1.00 0.09 H new ATOM 0 HG21 VAL A 136 19.142 38.205 -9.273 1.00 0.04 H new ATOM 0 HG22 VAL A 136 18.206 39.677 -8.920 1.00 0.04 H new ATOM 0 HG23 VAL A 136 19.285 38.990 -7.682 1.00 0.04 H new ATOM 2064 N ASN A 137 14.855 37.223 -6.170 1.00 0.26 N ATOM 2065 CA ASN A 137 14.229 36.194 -5.300 1.00 0.36 C ATOM 2066 C ASN A 137 14.711 34.830 -5.799 1.00 0.33 C ATOM 2067 O ASN A 137 15.466 34.753 -6.746 1.00 0.76 O ATOM 2068 CB ASN A 137 12.705 36.295 -5.379 1.00 0.45 C ATOM 2069 CG ASN A 137 12.068 35.086 -4.694 1.00 1.54 C ATOM 2070 OD1 ASN A 137 12.369 34.793 -3.553 1.00 2.97 O ATOM 2071 ND2 ASN A 137 11.200 34.366 -5.344 1.00 1.63 N ATOM 0 H ASN A 137 14.276 37.551 -6.943 1.00 0.26 H new ATOM 0 HA ASN A 137 14.511 36.338 -4.257 1.00 0.36 H new ATOM 0 HB2 ASN A 137 12.367 37.215 -4.901 1.00 0.45 H new ATOM 0 HB3 ASN A 137 12.388 36.342 -6.421 1.00 0.45 H new ATOM 0 HD21 ASN A 137 10.772 33.556 -4.896 1.00 1.63 H new ATOM 0 HD22 ASN A 137 10.948 34.612 -6.301 1.00 1.63 H new ATOM 2078 N TYR A 138 14.324 33.763 -5.153 1.00 0.43 N ATOM 2079 CA TYR A 138 14.814 32.398 -5.570 1.00 0.42 C ATOM 2080 C TYR A 138 13.714 31.553 -6.261 1.00 0.40 C ATOM 2081 O TYR A 138 14.039 30.678 -7.032 1.00 0.37 O ATOM 2082 CB TYR A 138 15.342 31.658 -4.317 1.00 0.53 C ATOM 2083 CG TYR A 138 14.643 32.184 -3.083 1.00 0.27 C ATOM 2084 CD1 TYR A 138 14.997 33.437 -2.561 1.00 1.31 C ATOM 2085 CD2 TYR A 138 13.641 31.428 -2.465 1.00 1.62 C ATOM 2086 CE1 TYR A 138 14.342 33.931 -1.429 1.00 1.54 C ATOM 2087 CE2 TYR A 138 12.987 31.922 -1.335 1.00 1.40 C ATOM 2088 CZ TYR A 138 13.334 33.175 -0.816 1.00 0.22 C ATOM 2089 OH TYR A 138 12.688 33.658 0.302 1.00 0.44 O ATOM 0 H TYR A 138 13.690 33.768 -4.354 1.00 0.43 H new ATOM 0 HA TYR A 138 15.609 32.534 -6.303 1.00 0.42 H new ATOM 0 HB2 TYR A 138 15.169 30.586 -4.416 1.00 0.53 H new ATOM 0 HB3 TYR A 138 16.419 31.800 -4.225 1.00 0.53 H new ATOM 0 HD1 TYR A 138 15.775 34.019 -3.033 1.00 1.31 H new ATOM 0 HD2 TYR A 138 13.373 30.460 -2.863 1.00 1.62 H new ATOM 0 HE1 TYR A 138 14.613 34.896 -1.027 1.00 1.54 H new ATOM 0 HE2 TYR A 138 12.213 31.337 -0.861 1.00 1.40 H new ATOM 0 HH TYR A 138 12.017 33.008 0.598 1.00 0.44 H new ATOM 2099 N GLU A 139 12.441 31.765 -5.990 1.00 0.47 N ATOM 2100 CA GLU A 139 11.379 30.919 -6.637 1.00 0.50 C ATOM 2101 C GLU A 139 11.717 30.638 -8.109 1.00 0.43 C ATOM 2102 O GLU A 139 11.633 29.516 -8.567 1.00 0.45 O ATOM 2103 CB GLU A 139 10.002 31.618 -6.520 1.00 0.58 C ATOM 2104 CG GLU A 139 9.751 32.582 -7.695 1.00 1.98 C ATOM 2105 CD GLU A 139 8.526 33.445 -7.388 1.00 2.17 C ATOM 2106 OE1 GLU A 139 8.673 34.412 -6.662 1.00 2.18 O ATOM 2107 OE2 GLU A 139 7.459 33.122 -7.888 1.00 2.64 O ATOM 0 H GLU A 139 12.094 32.482 -5.353 1.00 0.47 H new ATOM 0 HA GLU A 139 11.336 29.962 -6.116 1.00 0.50 H new ATOM 0 HB2 GLU A 139 9.213 30.866 -6.491 1.00 0.58 H new ATOM 0 HB3 GLU A 139 9.952 32.168 -5.581 1.00 0.58 H new ATOM 0 HG2 GLU A 139 10.625 33.214 -7.855 1.00 1.98 H new ATOM 0 HG3 GLU A 139 9.592 32.019 -8.615 1.00 1.98 H new ATOM 2114 N GLU A 140 12.106 31.635 -8.849 1.00 0.36 N ATOM 2115 CA GLU A 140 12.450 31.396 -10.278 1.00 0.32 C ATOM 2116 C GLU A 140 13.730 30.556 -10.351 1.00 0.27 C ATOM 2117 O GLU A 140 13.850 29.647 -11.150 1.00 0.29 O ATOM 2118 CB GLU A 140 12.684 32.736 -10.987 1.00 0.28 C ATOM 2119 CG GLU A 140 11.361 33.498 -11.099 1.00 0.45 C ATOM 2120 CD GLU A 140 10.486 32.852 -12.176 1.00 1.34 C ATOM 2121 OE1 GLU A 140 9.791 31.902 -11.855 1.00 2.65 O ATOM 2122 OE2 GLU A 140 10.525 33.318 -13.302 1.00 1.43 O ATOM 0 H GLU A 140 12.201 32.599 -8.531 1.00 0.36 H new ATOM 0 HA GLU A 140 11.630 30.869 -10.766 1.00 0.32 H new ATOM 0 HB2 GLU A 140 13.411 33.330 -10.433 1.00 0.28 H new ATOM 0 HB3 GLU A 140 13.102 32.565 -11.979 1.00 0.28 H new ATOM 0 HG2 GLU A 140 10.842 33.489 -10.141 1.00 0.45 H new ATOM 0 HG3 GLU A 140 11.551 34.542 -11.348 1.00 0.45 H new ATOM 2129 N PHE A 141 14.690 30.863 -9.523 1.00 0.22 N ATOM 2130 CA PHE A 141 15.974 30.100 -9.542 1.00 0.18 C ATOM 2131 C PHE A 141 15.772 28.700 -8.934 1.00 0.17 C ATOM 2132 O PHE A 141 16.560 27.804 -9.163 1.00 0.22 O ATOM 2133 CB PHE A 141 17.049 30.887 -8.745 1.00 0.14 C ATOM 2134 CG PHE A 141 18.135 31.381 -9.678 1.00 0.13 C ATOM 2135 CD1 PHE A 141 19.061 30.475 -10.199 1.00 0.22 C ATOM 2136 CD2 PHE A 141 18.204 32.736 -10.028 1.00 0.07 C ATOM 2137 CE1 PHE A 141 20.060 30.921 -11.067 1.00 0.22 C ATOM 2138 CE2 PHE A 141 19.214 33.177 -10.906 1.00 0.07 C ATOM 2139 CZ PHE A 141 20.131 32.267 -11.418 1.00 0.13 C ATOM 0 H PHE A 141 14.642 31.611 -8.831 1.00 0.22 H new ATOM 0 HA PHE A 141 16.308 29.979 -10.573 1.00 0.18 H new ATOM 0 HB2 PHE A 141 16.587 31.731 -8.234 1.00 0.14 H new ATOM 0 HB3 PHE A 141 17.483 30.247 -7.976 1.00 0.14 H new ATOM 0 HD1 PHE A 141 19.005 29.430 -9.931 1.00 0.22 H new ATOM 0 HD2 PHE A 141 17.488 33.438 -9.627 1.00 0.07 H new ATOM 0 HE1 PHE A 141 20.779 30.221 -11.467 1.00 0.22 H new ATOM 0 HE2 PHE A 141 19.275 34.220 -11.180 1.00 0.07 H new ATOM 0 HZ PHE A 141 20.904 32.606 -12.092 1.00 0.13 H new ATOM 2149 N VAL A 142 14.740 28.501 -8.166 1.00 0.25 N ATOM 2150 CA VAL A 142 14.524 27.156 -7.556 1.00 0.23 C ATOM 2151 C VAL A 142 14.061 26.173 -8.633 1.00 0.27 C ATOM 2152 O VAL A 142 14.605 25.095 -8.783 1.00 0.27 O ATOM 2153 CB VAL A 142 13.445 27.247 -6.470 1.00 0.29 C ATOM 2154 CG1 VAL A 142 13.160 25.841 -5.919 1.00 0.26 C ATOM 2155 CG2 VAL A 142 13.915 28.185 -5.327 1.00 0.30 C ATOM 0 H VAL A 142 14.039 29.205 -7.933 1.00 0.25 H new ATOM 0 HA VAL A 142 15.460 26.811 -7.117 1.00 0.23 H new ATOM 0 HB VAL A 142 12.532 27.658 -6.901 1.00 0.29 H new ATOM 0 HG11 VAL A 142 12.393 25.901 -5.147 1.00 0.26 H new ATOM 0 HG12 VAL A 142 12.811 25.197 -6.727 1.00 0.26 H new ATOM 0 HG13 VAL A 142 14.073 25.425 -5.492 1.00 0.26 H new ATOM 0 HG21 VAL A 142 13.141 28.242 -4.562 1.00 0.30 H new ATOM 0 HG22 VAL A 142 14.832 27.792 -4.887 1.00 0.30 H new ATOM 0 HG23 VAL A 142 14.103 29.181 -5.728 1.00 0.30 H new ATOM 2165 N GLN A 143 13.050 26.532 -9.376 1.00 0.34 N ATOM 2166 CA GLN A 143 12.538 25.619 -10.436 1.00 0.40 C ATOM 2167 C GLN A 143 13.586 25.462 -11.537 1.00 0.31 C ATOM 2168 O GLN A 143 13.577 24.498 -12.278 1.00 0.34 O ATOM 2169 CB GLN A 143 11.257 26.204 -11.034 1.00 0.50 C ATOM 2170 CG GLN A 143 10.150 26.196 -9.978 1.00 0.59 C ATOM 2171 CD GLN A 143 8.922 26.928 -10.524 1.00 0.37 C ATOM 2172 OE1 GLN A 143 8.212 26.407 -11.360 1.00 1.07 O ATOM 2173 NE2 GLN A 143 8.640 28.125 -10.085 1.00 0.86 N ATOM 0 H GLN A 143 12.556 27.420 -9.294 1.00 0.34 H new ATOM 0 HA GLN A 143 12.328 24.643 -9.999 1.00 0.40 H new ATOM 0 HB2 GLN A 143 11.437 27.222 -11.380 1.00 0.50 H new ATOM 0 HB3 GLN A 143 10.950 25.622 -11.903 1.00 0.50 H new ATOM 0 HG2 GLN A 143 9.889 25.171 -9.716 1.00 0.59 H new ATOM 0 HG3 GLN A 143 10.499 26.679 -9.065 1.00 0.59 H new ATOM 0 HE21 GLN A 143 9.235 28.564 -9.383 1.00 0.86 H new ATOM 0 HE22 GLN A 143 7.824 28.621 -10.444 1.00 0.86 H new ATOM 2182 N MET A 144 14.483 26.400 -11.664 1.00 0.24 N ATOM 2183 CA MET A 144 15.519 26.290 -12.733 1.00 0.18 C ATOM 2184 C MET A 144 16.569 25.243 -12.343 1.00 0.19 C ATOM 2185 O MET A 144 17.022 24.477 -13.171 1.00 0.23 O ATOM 2186 CB MET A 144 16.191 27.658 -12.938 1.00 0.09 C ATOM 2187 CG MET A 144 15.292 28.572 -13.792 1.00 0.16 C ATOM 2188 SD MET A 144 15.599 30.304 -13.348 1.00 0.75 S ATOM 2189 CE MET A 144 16.820 30.666 -14.636 1.00 1.47 C ATOM 0 H MET A 144 14.545 27.233 -11.079 1.00 0.24 H new ATOM 0 HA MET A 144 15.044 25.979 -13.663 1.00 0.18 H new ATOM 0 HB2 MET A 144 16.383 28.125 -11.972 1.00 0.09 H new ATOM 0 HB3 MET A 144 17.157 27.527 -13.426 1.00 0.09 H new ATOM 0 HG2 MET A 144 15.496 28.415 -14.851 1.00 0.16 H new ATOM 0 HG3 MET A 144 14.243 28.324 -13.629 1.00 0.16 H new ATOM 0 HE1 MET A 144 17.017 31.738 -14.660 1.00 1.47 H new ATOM 0 HE2 MET A 144 17.745 30.132 -14.421 1.00 1.47 H new ATOM 0 HE3 MET A 144 16.433 30.347 -15.604 1.00 1.47 H new ATOM 2199 N MET A 145 16.957 25.196 -11.099 1.00 0.18 N ATOM 2200 CA MET A 145 17.974 24.185 -10.682 1.00 0.25 C ATOM 2201 C MET A 145 17.401 22.782 -10.892 1.00 0.39 C ATOM 2202 O MET A 145 18.126 21.816 -11.031 1.00 0.48 O ATOM 2203 CB MET A 145 18.327 24.375 -9.198 1.00 0.15 C ATOM 2204 CG MET A 145 19.110 25.698 -8.982 1.00 0.12 C ATOM 2205 SD MET A 145 20.699 25.359 -8.165 1.00 0.14 S ATOM 2206 CE MET A 145 20.096 25.255 -6.456 1.00 0.27 C ATOM 0 H MET A 145 16.618 25.808 -10.357 1.00 0.18 H new ATOM 0 HA MET A 145 18.876 24.312 -11.281 1.00 0.25 H new ATOM 0 HB2 MET A 145 17.415 24.385 -8.601 1.00 0.15 H new ATOM 0 HB3 MET A 145 18.925 23.532 -8.851 1.00 0.15 H new ATOM 0 HG2 MET A 145 19.282 26.188 -9.940 1.00 0.12 H new ATOM 0 HG3 MET A 145 18.519 26.384 -8.375 1.00 0.12 H new ATOM 0 HE1 MET A 145 20.916 25.458 -5.768 1.00 0.27 H new ATOM 0 HE2 MET A 145 19.305 25.989 -6.304 1.00 0.27 H new ATOM 0 HE3 MET A 145 19.704 24.255 -6.269 1.00 0.27 H new ATOM 2216 N THR A 146 16.101 22.665 -10.918 1.00 0.43 N ATOM 2217 CA THR A 146 15.466 21.348 -11.114 1.00 0.57 C ATOM 2218 C THR A 146 15.397 21.049 -12.612 1.00 0.61 C ATOM 2219 O THR A 146 16.166 20.275 -13.146 1.00 1.20 O ATOM 2220 CB THR A 146 14.056 21.436 -10.498 1.00 0.59 C ATOM 2221 OG1 THR A 146 13.745 22.803 -10.270 1.00 0.48 O ATOM 2222 CG2 THR A 146 14.002 20.684 -9.162 1.00 0.72 C ATOM 0 H THR A 146 15.450 23.443 -10.809 1.00 0.43 H new ATOM 0 HA THR A 146 16.029 20.545 -10.638 1.00 0.57 H new ATOM 0 HB THR A 146 13.339 20.985 -11.184 1.00 0.59 H new ATOM 0 HG1 THR A 146 13.477 23.223 -11.114 1.00 0.48 H new ATOM 0 HG21 THR A 146 12.998 20.758 -8.743 1.00 0.72 H new ATOM 0 HG22 THR A 146 14.251 19.635 -9.324 1.00 0.72 H new ATOM 0 HG23 THR A 146 14.718 21.124 -8.468 1.00 0.72 H new ATOM 2230 N ALA A 147 14.482 21.672 -13.275 1.00 0.27 N ATOM 2231 CA ALA A 147 14.325 21.475 -14.733 1.00 0.28 C ATOM 2232 C ALA A 147 13.169 22.340 -15.214 1.00 1.22 C ATOM 2233 O ALA A 147 12.041 22.190 -14.793 1.00 1.75 O ATOM 2234 CB ALA A 147 14.028 20.015 -15.056 1.00 0.95 C ATOM 0 H ALA A 147 13.818 22.326 -12.860 1.00 0.27 H new ATOM 0 HA ALA A 147 15.252 21.755 -15.233 1.00 0.28 H new ATOM 0 HB1 ALA A 147 13.917 19.896 -16.134 1.00 0.95 H new ATOM 0 HB2 ALA A 147 14.849 19.390 -14.705 1.00 0.95 H new ATOM 0 HB3 ALA A 147 13.105 19.713 -14.561 1.00 0.95 H new ATOM 2240 N LYS A 148 13.461 23.242 -16.088 1.00 1.77 N ATOM 2241 CA LYS A 148 12.413 24.157 -16.635 1.00 2.75 C ATOM 2242 C LYS A 148 11.133 23.370 -16.930 1.00 3.29 C ATOM 2243 O LYS A 148 11.242 22.221 -17.323 1.00 3.16 O ATOM 2244 CB LYS A 148 12.921 24.790 -17.931 1.00 3.14 C ATOM 2245 CG LYS A 148 14.221 25.561 -17.659 1.00 2.89 C ATOM 2246 CD LYS A 148 14.979 25.771 -18.972 1.00 3.39 C ATOM 2247 CE LYS A 148 16.053 26.842 -18.777 1.00 3.47 C ATOM 2248 NZ LYS A 148 15.402 28.132 -18.411 1.00 4.57 N ATOM 2249 OXT LYS A 148 10.063 23.931 -16.756 1.00 4.00 O ATOM 0 H LYS A 148 14.397 23.396 -16.462 1.00 1.77 H new ATOM 0 HA LYS A 148 12.198 24.933 -15.900 1.00 2.75 H new ATOM 0 HB2 LYS A 148 13.096 24.017 -18.680 1.00 3.14 H new ATOM 0 HB3 LYS A 148 12.166 25.463 -18.338 1.00 3.14 H new ATOM 0 HG2 LYS A 148 13.995 26.524 -17.200 1.00 2.89 H new ATOM 0 HG3 LYS A 148 14.842 25.009 -16.953 1.00 2.89 H new ATOM 0 HD2 LYS A 148 15.438 24.836 -19.293 1.00 3.39 H new ATOM 0 HD3 LYS A 148 14.288 26.073 -19.759 1.00 3.39 H new ATOM 0 HE2 LYS A 148 16.748 26.538 -17.995 1.00 3.47 H new ATOM 0 HE3 LYS A 148 16.634 26.961 -19.691 1.00 3.47 H new ATOM 0 HZ1 LYS A 148 15.971 28.923 -18.773 1.00 4.57 H new ATOM 0 HZ2 LYS A 148 14.450 28.171 -18.828 1.00 4.57 H new ATOM 0 HZ3 LYS A 148 15.330 28.203 -17.376 1.00 4.57 H new TER 2263 LYS A 148