USER MOD reduce.3.24.130724 H: found=0, std=0, add=1122, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1122 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 109 MET CE :methyl -115:sc= -1.8 (180deg=-5.17!) USER MOD Set 1.2: A 124 MET CE :methyl -156:sc= -0.948 (180deg=-3.91!) USER MOD Set 2.1: A 79 THR OG1 : rot -23:sc= 0.758 USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= -1.04 USER MOD Set 3.1: A 72 MET CE :methyl 178:sc= -4.6! (180deg=-4.75!) USER MOD Set 3.2: A 76 MET CE :methyl 144:sc= -0.0334 (180deg=0) USER MOD Set 4.1: A 36 MET CE :methyl -156:sc= -1.54 (180deg=-3.09!) USER MOD Set 4.2: A 75 GLN : amide:sc= -1.99 K(o=-3.5,f=-7.1!) USER MOD Set 5.1: A 5 THR OG1 : rot 73:sc= 0.0488 USER MOD Set 5.2: A 8 GLN : amide:sc= -4.27! C(o=-4.2!,f=-8.8!) USER MOD Set 6.1: A 1 MET N :NH3+ -167:sc= -2.36 (180deg=-3.02!) USER MOD Set 6.2: A 69 CYS SG : rot -46:sc= 0.702 USER MOD Single : A 1 MET CE :methyl -123:sc= -0.361 (180deg=-2.7!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.0845 (180deg=-0.473) USER MOD Single : A 18 GLN : amide:sc= -1.35 X(o=-1.3,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 63:sc= 0.996 USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= -0.0665 (180deg=-0.0957) USER MOD Single : A 29 THR OG1 : rot -150:sc= -0.901 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 41 GLN : amide:sc= -3.29 K(o=-3.3,f=-1.5) USER MOD Single : A 42 ASN : amide:sc= -4.26! K(o=-4.3!,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 49 GLN : amide:sc= -6.01! C(o=-6!,f=-3.3!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 62 GLN : amide:sc= -8.17! C(o=-8.2!,f=-4.3!) USER MOD Single : A 64 ASN : amide:sc= 0.0442 K(o=0.044,f=-1.6) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -128:sc= -0.978 (180deg=-3.22!) USER MOD Single : A 85 MET CE :methyl 169:sc= -3.75! (180deg=-4.38!) USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= -4.1! (180deg=-6.01!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.773 USER MOD Single : A 111 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.13) USER MOD Single : A 115 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.164) USER MOD Single : A 117 THR OG1 : rot -170:sc= -0.568 USER MOD Single : A 135 MET CE :methyl 150:sc= -0.22 (180deg=-0.863) USER MOD Single : A 137 ASN : amide:sc= -2.56! C(o=-2.6!,f=-12!) USER MOD Single : A 138 TYR OH : rot -130:sc= -0.84 USER MOD Single : A 144 MET CE :methyl 143:sc= -1.3 (180deg=-2.28!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -2.42! K(o=-2.4!,f=-0.85) USER MOD Single : A 148 LYS NZ :NH3+ 134:sc= 0.351 (180deg=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.680 -5.913 8.290 1.00 1.05 N ATOM 2 CA MET A 1 11.480 -6.997 9.287 1.00 0.92 C ATOM 3 C MET A 1 11.107 -6.417 10.647 1.00 0.91 C ATOM 4 O MET A 1 11.217 -7.090 11.672 1.00 1.39 O ATOM 5 CB MET A 1 12.755 -7.833 9.417 1.00 1.18 C ATOM 6 CG MET A 1 13.409 -8.163 8.085 1.00 1.50 C ATOM 7 SD MET A 1 14.909 -9.144 8.272 1.00 1.72 S ATOM 8 CE MET A 1 14.227 -10.698 8.839 1.00 2.27 C ATOM 0 H1 MET A 1 11.714 -6.322 7.334 1.00 1.05 H new ATOM 0 H2 MET A 1 10.892 -5.237 8.349 1.00 1.05 H new ATOM 0 H3 MET A 1 12.574 -5.420 8.488 1.00 1.05 H new ATOM 0 HA MET A 1 10.664 -7.632 8.942 1.00 0.92 H new ATOM 0 HB2 MET A 1 13.470 -7.294 10.039 1.00 1.18 H new ATOM 0 HB3 MET A 1 12.518 -8.762 9.935 1.00 1.18 H new ATOM 0 HG2 MET A 1 12.699 -8.707 7.461 1.00 1.50 H new ATOM 0 HG3 MET A 1 13.648 -7.237 7.563 1.00 1.50 H new ATOM 0 HE1 MET A 1 14.676 -10.965 9.796 1.00 2.27 H new ATOM 0 HE2 MET A 1 13.148 -10.600 8.959 1.00 2.27 H new ATOM 0 HE3 MET A 1 14.441 -11.478 8.108 1.00 2.27 H new ATOM 20 N SER A 2 10.667 -5.162 10.648 1.00 0.85 N ATOM 21 CA SER A 2 10.288 -4.486 11.884 1.00 0.89 C ATOM 22 C SER A 2 9.092 -5.163 12.549 1.00 0.89 C ATOM 23 O SER A 2 9.163 -5.564 13.710 1.00 0.98 O ATOM 24 CB SER A 2 9.962 -3.018 11.604 1.00 0.92 C ATOM 25 OG SER A 2 9.553 -2.353 12.787 1.00 1.04 O ATOM 0 H SER A 2 10.564 -4.593 9.807 1.00 0.85 H new ATOM 0 HA SER A 2 11.135 -4.547 12.568 1.00 0.89 H new ATOM 0 HB2 SER A 2 10.838 -2.521 11.187 1.00 0.92 H new ATOM 0 HB3 SER A 2 9.173 -2.954 10.855 1.00 0.92 H new ATOM 0 HG SER A 2 9.352 -1.416 12.583 1.00 1.04 H new ATOM 31 N GLU A 3 7.996 -5.290 11.804 1.00 0.85 N ATOM 32 CA GLU A 3 6.782 -5.912 12.327 1.00 0.93 C ATOM 33 C GLU A 3 6.012 -6.628 11.222 1.00 0.95 C ATOM 34 O GLU A 3 4.795 -6.799 11.312 1.00 1.73 O ATOM 35 CB GLU A 3 5.884 -4.857 12.980 1.00 1.02 C ATOM 36 CG GLU A 3 6.503 -4.189 14.197 1.00 1.10 C ATOM 37 CD GLU A 3 5.645 -3.065 14.745 1.00 1.54 C ATOM 38 OE1 GLU A 3 4.715 -3.355 15.527 1.00 1.67 O ATOM 39 OE2 GLU A 3 5.905 -1.895 14.395 1.00 2.13 O ATOM 0 H GLU A 3 7.924 -4.971 10.838 1.00 0.85 H new ATOM 0 HA GLU A 3 7.079 -6.647 13.075 1.00 0.93 H new ATOM 0 HB2 GLU A 3 5.642 -4.092 12.242 1.00 1.02 H new ATOM 0 HB3 GLU A 3 4.944 -5.325 13.273 1.00 1.02 H new ATOM 0 HG2 GLU A 3 6.659 -4.935 14.976 1.00 1.10 H new ATOM 0 HG3 GLU A 3 7.484 -3.796 13.931 1.00 1.10 H new ATOM 46 N LEU A 4 6.725 -7.043 10.180 1.00 0.37 N ATOM 47 CA LEU A 4 6.102 -7.735 9.057 1.00 0.29 C ATOM 48 C LEU A 4 5.749 -9.173 9.424 1.00 0.32 C ATOM 49 O LEU A 4 5.834 -9.560 10.591 1.00 0.36 O ATOM 50 CB LEU A 4 7.027 -7.710 7.841 1.00 0.22 C ATOM 51 CG LEU A 4 7.316 -6.314 7.286 1.00 0.25 C ATOM 52 CD1 LEU A 4 8.457 -5.659 8.045 1.00 0.37 C ATOM 53 CD2 LEU A 4 7.637 -6.385 5.805 1.00 0.27 C ATOM 0 H LEU A 4 7.733 -6.913 10.090 1.00 0.37 H new ATOM 0 HA LEU A 4 5.178 -7.213 8.809 1.00 0.29 H new ATOM 0 HB2 LEU A 4 7.972 -8.182 8.111 1.00 0.22 H new ATOM 0 HB3 LEU A 4 6.583 -8.315 7.051 1.00 0.22 H new ATOM 0 HG LEU A 4 6.422 -5.704 7.417 1.00 0.25 H new ATOM 0 HD11 LEU A 4 8.646 -4.667 7.634 1.00 0.37 H new ATOM 0 HD12 LEU A 4 8.190 -5.570 9.098 1.00 0.37 H new ATOM 0 HD13 LEU A 4 9.355 -6.269 7.949 1.00 0.37 H new ATOM 0 HD21 LEU A 4 7.840 -5.382 5.428 1.00 0.27 H new ATOM 0 HD22 LEU A 4 8.514 -7.014 5.653 1.00 0.27 H new ATOM 0 HD23 LEU A 4 6.788 -6.809 5.269 1.00 0.27 H new ATOM 65 N THR A 5 5.353 -9.965 8.430 1.00 0.32 N ATOM 66 CA THR A 5 4.978 -11.353 8.673 1.00 0.37 C ATOM 67 C THR A 5 6.173 -12.281 8.497 1.00 0.37 C ATOM 68 O THR A 5 6.770 -12.736 9.473 1.00 0.39 O ATOM 69 CB THR A 5 3.846 -11.802 7.728 1.00 0.42 C ATOM 70 OG1 THR A 5 2.718 -10.931 7.867 1.00 0.91 O ATOM 71 CG2 THR A 5 3.425 -13.233 8.024 1.00 0.91 C ATOM 0 H THR A 5 5.284 -9.671 7.456 1.00 0.32 H new ATOM 0 HA THR A 5 4.625 -11.412 9.702 1.00 0.37 H new ATOM 0 HB THR A 5 4.219 -11.755 6.705 1.00 0.42 H new ATOM 0 HG1 THR A 5 2.920 -10.065 7.455 1.00 0.91 H new ATOM 0 HG21 THR A 5 2.625 -13.525 7.343 1.00 0.91 H new ATOM 0 HG22 THR A 5 4.278 -13.898 7.889 1.00 0.91 H new ATOM 0 HG23 THR A 5 3.070 -13.303 9.052 1.00 0.91 H new ATOM 79 N GLU A 6 6.515 -12.539 7.239 1.00 0.35 N ATOM 80 CA GLU A 6 7.633 -13.409 6.888 1.00 0.35 C ATOM 81 C GLU A 6 7.679 -13.597 5.381 1.00 0.34 C ATOM 82 O GLU A 6 8.754 -13.643 4.789 1.00 0.32 O ATOM 83 CB GLU A 6 7.521 -14.769 7.586 1.00 0.40 C ATOM 84 CG GLU A 6 8.665 -15.717 7.263 1.00 0.94 C ATOM 85 CD GLU A 6 8.552 -17.039 7.997 1.00 1.48 C ATOM 86 OE1 GLU A 6 7.913 -17.966 7.456 1.00 1.55 O ATOM 87 OE2 GLU A 6 9.103 -17.148 9.112 1.00 2.21 O ATOM 0 H GLU A 6 6.025 -12.151 6.433 1.00 0.35 H new ATOM 0 HA GLU A 6 8.555 -12.936 7.225 1.00 0.35 H new ATOM 0 HB2 GLU A 6 7.484 -14.612 8.664 1.00 0.40 H new ATOM 0 HB3 GLU A 6 6.580 -15.238 7.299 1.00 0.40 H new ATOM 0 HG2 GLU A 6 8.686 -15.903 6.189 1.00 0.94 H new ATOM 0 HG3 GLU A 6 9.611 -15.241 7.523 1.00 0.94 H new ATOM 94 N GLU A 7 6.506 -13.725 4.767 1.00 0.38 N ATOM 95 CA GLU A 7 6.428 -13.870 3.323 1.00 0.40 C ATOM 96 C GLU A 7 6.949 -12.598 2.667 1.00 0.35 C ATOM 97 O GLU A 7 7.805 -12.644 1.782 1.00 0.33 O ATOM 98 CB GLU A 7 4.989 -14.154 2.880 1.00 0.46 C ATOM 99 CG GLU A 7 3.971 -13.151 3.401 1.00 0.49 C ATOM 100 CD GLU A 7 2.560 -13.459 2.942 1.00 0.56 C ATOM 101 OE1 GLU A 7 2.178 -12.998 1.847 1.00 0.60 O ATOM 102 OE2 GLU A 7 1.838 -14.165 3.678 1.00 0.62 O ATOM 0 H GLU A 7 5.605 -13.731 5.245 1.00 0.38 H new ATOM 0 HA GLU A 7 7.042 -14.716 3.014 1.00 0.40 H new ATOM 0 HB2 GLU A 7 4.950 -14.163 1.791 1.00 0.46 H new ATOM 0 HB3 GLU A 7 4.706 -15.151 3.217 1.00 0.46 H new ATOM 0 HG2 GLU A 7 4.001 -13.142 4.491 1.00 0.49 H new ATOM 0 HG3 GLU A 7 4.248 -12.151 3.066 1.00 0.49 H new ATOM 109 N GLN A 8 6.426 -11.459 3.117 1.00 0.33 N ATOM 110 CA GLN A 8 6.851 -10.168 2.607 1.00 0.30 C ATOM 111 C GLN A 8 8.320 -9.957 2.929 1.00 0.24 C ATOM 112 O GLN A 8 9.063 -9.334 2.164 1.00 0.22 O ATOM 113 CB GLN A 8 6.014 -9.060 3.235 1.00 0.32 C ATOM 114 CG GLN A 8 5.873 -9.202 4.738 1.00 0.32 C ATOM 115 CD GLN A 8 4.850 -8.246 5.331 1.00 0.36 C ATOM 116 OE1 GLN A 8 4.212 -8.551 6.337 1.00 0.85 O ATOM 117 NE2 GLN A 8 4.683 -7.082 4.709 1.00 0.57 N ATOM 0 H GLN A 8 5.705 -11.410 3.837 1.00 0.33 H new ATOM 0 HA GLN A 8 6.712 -10.142 1.526 1.00 0.30 H new ATOM 0 HB2 GLN A 8 6.469 -8.096 3.008 1.00 0.32 H new ATOM 0 HB3 GLN A 8 5.023 -9.060 2.781 1.00 0.32 H new ATOM 0 HG2 GLN A 8 5.585 -10.226 4.975 1.00 0.32 H new ATOM 0 HG3 GLN A 8 6.841 -9.026 5.207 1.00 0.32 H new ATOM 0 HE21 GLN A 8 5.231 -6.865 3.877 1.00 0.57 H new ATOM 0 HE22 GLN A 8 4.007 -6.406 5.064 1.00 0.57 H new ATOM 126 N ILE A 9 8.730 -10.497 4.075 1.00 0.22 N ATOM 127 CA ILE A 9 10.104 -10.393 4.520 1.00 0.18 C ATOM 128 C ILE A 9 11.007 -11.120 3.546 1.00 0.17 C ATOM 129 O ILE A 9 12.054 -10.615 3.143 1.00 0.15 O ATOM 130 CB ILE A 9 10.292 -10.976 5.934 1.00 0.20 C ATOM 131 CG1 ILE A 9 9.481 -10.165 6.946 1.00 0.21 C ATOM 132 CG2 ILE A 9 11.768 -10.988 6.311 1.00 0.21 C ATOM 133 CD1 ILE A 9 9.561 -10.697 8.362 1.00 0.24 C ATOM 0 H ILE A 9 8.121 -11.012 4.710 1.00 0.22 H new ATOM 0 HA ILE A 9 10.366 -9.336 4.558 1.00 0.18 H new ATOM 0 HB ILE A 9 9.930 -12.004 5.944 1.00 0.20 H new ATOM 0 HG12 ILE A 9 9.832 -9.133 6.935 1.00 0.21 H new ATOM 0 HG13 ILE A 9 8.437 -10.150 6.632 1.00 0.21 H new ATOM 0 HG21 ILE A 9 11.884 -11.403 7.312 1.00 0.21 H new ATOM 0 HG22 ILE A 9 12.321 -11.600 5.598 1.00 0.21 H new ATOM 0 HG23 ILE A 9 12.157 -9.970 6.292 1.00 0.21 H new ATOM 0 HD11 ILE A 9 8.961 -10.070 9.021 1.00 0.24 H new ATOM 0 HD12 ILE A 9 9.182 -11.719 8.389 1.00 0.24 H new ATOM 0 HD13 ILE A 9 10.598 -10.686 8.697 1.00 0.24 H new ATOM 145 N ALA A 10 10.573 -12.310 3.170 1.00 0.20 N ATOM 146 CA ALA A 10 11.310 -13.136 2.229 1.00 0.21 C ATOM 147 C ALA A 10 11.299 -12.494 0.851 1.00 0.20 C ATOM 148 O ALA A 10 12.124 -12.811 -0.005 1.00 0.19 O ATOM 149 CB ALA A 10 10.699 -14.528 2.165 1.00 0.26 C ATOM 0 H ALA A 10 9.706 -12.729 3.505 1.00 0.20 H new ATOM 0 HA ALA A 10 12.342 -13.222 2.568 1.00 0.21 H new ATOM 0 HB1 ALA A 10 11.259 -15.139 1.457 1.00 0.26 H new ATOM 0 HB2 ALA A 10 10.739 -14.988 3.152 1.00 0.26 H new ATOM 0 HB3 ALA A 10 9.661 -14.455 1.840 1.00 0.26 H new ATOM 155 N GLU A 11 10.346 -11.590 0.650 1.00 0.20 N ATOM 156 CA GLU A 11 10.201 -10.897 -0.625 1.00 0.21 C ATOM 157 C GLU A 11 11.348 -9.926 -0.860 1.00 0.18 C ATOM 158 O GLU A 11 12.235 -10.200 -1.664 1.00 0.18 O ATOM 159 CB GLU A 11 8.885 -10.132 -0.682 1.00 0.25 C ATOM 160 CG GLU A 11 8.303 -10.022 -2.081 1.00 0.29 C ATOM 161 CD GLU A 11 7.891 -11.367 -2.648 1.00 0.94 C ATOM 162 OE1 GLU A 11 6.748 -11.797 -2.385 1.00 0.84 O ATOM 163 OE2 GLU A 11 8.712 -11.989 -3.354 1.00 1.78 O ATOM 0 H GLU A 11 9.661 -11.320 1.356 1.00 0.20 H new ATOM 0 HA GLU A 11 10.213 -11.658 -1.405 1.00 0.21 H new ATOM 0 HB2 GLU A 11 8.160 -10.625 -0.034 1.00 0.25 H new ATOM 0 HB3 GLU A 11 9.040 -9.130 -0.283 1.00 0.25 H new ATOM 0 HG2 GLU A 11 7.437 -9.360 -2.059 1.00 0.29 H new ATOM 0 HG3 GLU A 11 9.039 -9.563 -2.742 1.00 0.29 H new ATOM 170 N PHE A 12 11.338 -8.783 -0.165 1.00 0.17 N ATOM 171 CA PHE A 12 12.407 -7.811 -0.358 1.00 0.17 C ATOM 172 C PHE A 12 13.745 -8.462 -0.087 1.00 0.14 C ATOM 173 O PHE A 12 14.775 -8.028 -0.600 1.00 0.15 O ATOM 174 CB PHE A 12 12.227 -6.555 0.491 1.00 0.20 C ATOM 175 CG PHE A 12 11.797 -6.784 1.907 1.00 0.18 C ATOM 176 CD1 PHE A 12 12.718 -7.103 2.891 1.00 0.21 C ATOM 177 CD2 PHE A 12 10.469 -6.644 2.257 1.00 0.24 C ATOM 178 CE1 PHE A 12 12.315 -7.279 4.203 1.00 0.23 C ATOM 179 CE2 PHE A 12 10.061 -6.821 3.559 1.00 0.26 C ATOM 180 CZ PHE A 12 10.982 -7.136 4.536 1.00 0.21 C ATOM 0 H PHE A 12 10.624 -8.518 0.514 1.00 0.17 H new ATOM 0 HA PHE A 12 12.367 -7.482 -1.397 1.00 0.17 H new ATOM 0 HB2 PHE A 12 13.169 -6.007 0.501 1.00 0.20 H new ATOM 0 HB3 PHE A 12 11.491 -5.914 0.006 1.00 0.20 H new ATOM 0 HD1 PHE A 12 13.760 -7.215 2.632 1.00 0.21 H new ATOM 0 HD2 PHE A 12 9.741 -6.392 1.500 1.00 0.24 H new ATOM 0 HE1 PHE A 12 13.040 -7.527 4.964 1.00 0.23 H new ATOM 0 HE2 PHE A 12 9.018 -6.713 3.816 1.00 0.26 H new ATOM 0 HZ PHE A 12 10.662 -7.271 5.559 1.00 0.21 H new ATOM 190 N LYS A 13 13.723 -9.502 0.734 1.00 0.12 N ATOM 191 CA LYS A 13 14.927 -10.252 1.019 1.00 0.12 C ATOM 192 C LYS A 13 15.436 -10.864 -0.276 1.00 0.13 C ATOM 193 O LYS A 13 16.587 -10.673 -0.654 1.00 0.16 O ATOM 194 CB LYS A 13 14.652 -11.353 2.046 1.00 0.14 C ATOM 195 CG LYS A 13 15.678 -12.470 2.014 1.00 0.24 C ATOM 196 CD LYS A 13 15.592 -13.349 3.247 1.00 1.07 C ATOM 197 CE LYS A 13 16.298 -14.677 3.025 1.00 1.30 C ATOM 198 NZ LYS A 13 15.584 -15.522 2.028 1.00 2.27 N ATOM 0 H LYS A 13 12.887 -9.841 1.210 1.00 0.12 H new ATOM 0 HA LYS A 13 15.678 -9.582 1.438 1.00 0.12 H new ATOM 0 HB2 LYS A 13 14.633 -10.914 3.044 1.00 0.14 H new ATOM 0 HB3 LYS A 13 13.662 -11.772 1.864 1.00 0.14 H new ATOM 0 HG2 LYS A 13 15.525 -13.078 1.123 1.00 0.24 H new ATOM 0 HG3 LYS A 13 16.678 -12.043 1.941 1.00 0.24 H new ATOM 0 HD2 LYS A 13 16.040 -12.833 4.096 1.00 1.07 H new ATOM 0 HD3 LYS A 13 14.546 -13.527 3.498 1.00 1.07 H new ATOM 0 HE2 LYS A 13 17.317 -14.495 2.684 1.00 1.30 H new ATOM 0 HE3 LYS A 13 16.370 -15.213 3.971 1.00 1.30 H new ATOM 0 HZ1 LYS A 13 15.847 -16.519 2.165 1.00 2.27 H new ATOM 0 HZ2 LYS A 13 14.557 -15.415 2.154 1.00 2.27 H new ATOM 0 HZ3 LYS A 13 15.848 -15.223 1.067 1.00 2.27 H new ATOM 212 N ASP A 14 14.546 -11.582 -0.961 1.00 0.14 N ATOM 213 CA ASP A 14 14.884 -12.228 -2.222 1.00 0.16 C ATOM 214 C ASP A 14 15.241 -11.190 -3.281 1.00 0.16 C ATOM 215 O ASP A 14 16.127 -11.418 -4.102 1.00 0.17 O ATOM 216 CB ASP A 14 13.721 -13.112 -2.702 1.00 0.19 C ATOM 217 CG ASP A 14 12.689 -12.359 -3.523 1.00 0.20 C ATOM 218 OD1 ASP A 14 13.012 -11.947 -4.657 1.00 0.22 O ATOM 219 OD2 ASP A 14 11.548 -12.202 -3.040 1.00 0.22 O ATOM 0 H ASP A 14 13.583 -11.729 -0.659 1.00 0.14 H new ATOM 0 HA ASP A 14 15.755 -12.862 -2.059 1.00 0.16 H new ATOM 0 HB2 ASP A 14 14.120 -13.932 -3.298 1.00 0.19 H new ATOM 0 HB3 ASP A 14 13.231 -13.557 -1.836 1.00 0.19 H new ATOM 224 N ALA A 15 14.553 -10.047 -3.252 1.00 0.16 N ATOM 225 CA ALA A 15 14.813 -8.983 -4.217 1.00 0.17 C ATOM 226 C ALA A 15 16.197 -8.391 -3.991 1.00 0.16 C ATOM 227 O ALA A 15 16.894 -8.009 -4.930 1.00 0.20 O ATOM 228 CB ALA A 15 13.749 -7.900 -4.108 1.00 0.20 C ATOM 0 H ALA A 15 13.818 -9.838 -2.576 1.00 0.16 H new ATOM 0 HA ALA A 15 14.776 -9.406 -5.221 1.00 0.17 H new ATOM 0 HB1 ALA A 15 13.955 -7.113 -4.833 1.00 0.20 H new ATOM 0 HB2 ALA A 15 12.769 -8.332 -4.310 1.00 0.20 H new ATOM 0 HB3 ALA A 15 13.760 -7.479 -3.103 1.00 0.20 H new ATOM 234 N PHE A 16 16.564 -8.287 -2.728 1.00 0.14 N ATOM 235 CA PHE A 16 17.858 -7.754 -2.336 1.00 0.14 C ATOM 236 C PHE A 16 19.020 -8.593 -2.875 1.00 0.14 C ATOM 237 O PHE A 16 19.947 -8.068 -3.492 1.00 0.15 O ATOM 238 CB PHE A 16 17.933 -7.713 -0.813 1.00 0.15 C ATOM 239 CG PHE A 16 18.995 -6.798 -0.291 1.00 0.25 C ATOM 240 CD1 PHE A 16 20.280 -7.266 -0.083 1.00 0.45 C ATOM 241 CD2 PHE A 16 18.711 -5.473 -0.013 1.00 0.35 C ATOM 242 CE1 PHE A 16 21.267 -6.427 0.395 1.00 0.59 C ATOM 243 CE2 PHE A 16 19.693 -4.628 0.465 1.00 0.50 C ATOM 244 CZ PHE A 16 20.960 -5.098 0.686 1.00 0.59 C ATOM 0 H PHE A 16 15.975 -8.569 -1.944 1.00 0.14 H new ATOM 0 HA PHE A 16 17.951 -6.754 -2.760 1.00 0.14 H new ATOM 0 HB2 PHE A 16 16.967 -7.398 -0.418 1.00 0.15 H new ATOM 0 HB3 PHE A 16 18.117 -8.720 -0.439 1.00 0.15 H new ATOM 0 HD1 PHE A 16 20.514 -8.299 -0.297 1.00 0.45 H new ATOM 0 HD2 PHE A 16 17.712 -5.096 -0.171 1.00 0.35 H new ATOM 0 HE1 PHE A 16 22.271 -6.798 0.543 1.00 0.59 H new ATOM 0 HE2 PHE A 16 19.461 -3.592 0.665 1.00 0.50 H new ATOM 0 HZ PHE A 16 21.719 -4.441 1.084 1.00 0.59 H new ATOM 254 N VAL A 17 18.956 -9.902 -2.629 1.00 0.16 N ATOM 255 CA VAL A 17 20.019 -10.825 -3.040 1.00 0.18 C ATOM 256 C VAL A 17 20.227 -10.821 -4.543 1.00 0.16 C ATOM 257 O VAL A 17 21.356 -10.755 -5.027 1.00 0.15 O ATOM 258 CB VAL A 17 19.736 -12.282 -2.579 1.00 0.22 C ATOM 259 CG1 VAL A 17 18.719 -12.311 -1.460 1.00 0.31 C ATOM 260 CG2 VAL A 17 19.262 -13.166 -3.728 1.00 0.28 C ATOM 0 H VAL A 17 18.177 -10.350 -2.146 1.00 0.16 H new ATOM 0 HA VAL A 17 20.925 -10.465 -2.553 1.00 0.18 H new ATOM 0 HB VAL A 17 20.682 -12.682 -2.213 1.00 0.22 H new ATOM 0 HG11 VAL A 17 18.540 -13.343 -1.157 1.00 0.31 H new ATOM 0 HG12 VAL A 17 19.097 -11.744 -0.610 1.00 0.31 H new ATOM 0 HG13 VAL A 17 17.785 -11.867 -1.805 1.00 0.31 H new ATOM 0 HG21 VAL A 17 19.077 -14.175 -3.359 1.00 0.28 H new ATOM 0 HG22 VAL A 17 18.342 -12.758 -4.145 1.00 0.28 H new ATOM 0 HG23 VAL A 17 20.028 -13.198 -4.502 1.00 0.28 H new ATOM 270 N GLN A 18 19.128 -10.875 -5.276 1.00 0.17 N ATOM 271 CA GLN A 18 19.186 -10.913 -6.720 1.00 0.18 C ATOM 272 C GLN A 18 19.861 -9.661 -7.258 1.00 0.15 C ATOM 273 O GLN A 18 20.248 -9.598 -8.425 1.00 0.18 O ATOM 274 CB GLN A 18 17.790 -11.089 -7.290 1.00 0.23 C ATOM 275 CG GLN A 18 16.790 -10.076 -6.788 1.00 0.19 C ATOM 276 CD GLN A 18 15.480 -10.143 -7.538 1.00 0.39 C ATOM 277 OE1 GLN A 18 15.274 -9.431 -8.521 1.00 1.02 O ATOM 278 NE2 GLN A 18 14.589 -11.010 -7.081 1.00 0.42 N ATOM 0 H GLN A 18 18.184 -10.893 -4.890 1.00 0.17 H new ATOM 0 HA GLN A 18 19.786 -11.767 -7.034 1.00 0.18 H new ATOM 0 HB2 GLN A 18 17.842 -11.025 -8.377 1.00 0.23 H new ATOM 0 HB3 GLN A 18 17.432 -12.089 -7.046 1.00 0.23 H new ATOM 0 HG2 GLN A 18 16.607 -10.244 -5.727 1.00 0.19 H new ATOM 0 HG3 GLN A 18 17.211 -9.075 -6.884 1.00 0.19 H new ATOM 0 HE21 GLN A 18 14.804 -11.579 -6.262 1.00 0.42 H new ATOM 0 HE22 GLN A 18 13.687 -11.109 -7.548 1.00 0.42 H new ATOM 287 N PHE A 19 19.996 -8.664 -6.391 1.00 0.12 N ATOM 288 CA PHE A 19 20.649 -7.416 -6.748 1.00 0.15 C ATOM 289 C PHE A 19 22.094 -7.406 -6.255 1.00 0.18 C ATOM 290 O PHE A 19 22.975 -6.840 -6.903 1.00 0.26 O ATOM 291 CB PHE A 19 19.880 -6.229 -6.166 1.00 0.16 C ATOM 292 CG PHE A 19 18.819 -5.696 -7.089 1.00 0.18 C ATOM 293 CD1 PHE A 19 17.796 -6.516 -7.537 1.00 0.26 C ATOM 294 CD2 PHE A 19 18.843 -4.374 -7.505 1.00 0.23 C ATOM 295 CE1 PHE A 19 16.817 -6.028 -8.381 1.00 0.28 C ATOM 296 CE2 PHE A 19 17.867 -3.881 -8.349 1.00 0.25 C ATOM 297 CZ PHE A 19 16.864 -4.715 -8.803 1.00 0.24 C ATOM 0 H PHE A 19 19.658 -8.700 -5.429 1.00 0.12 H new ATOM 0 HA PHE A 19 20.656 -7.329 -7.834 1.00 0.15 H new ATOM 0 HB2 PHE A 19 19.416 -6.531 -5.227 1.00 0.16 H new ATOM 0 HB3 PHE A 19 20.583 -5.429 -5.932 1.00 0.16 H new ATOM 0 HD1 PHE A 19 17.763 -7.549 -7.223 1.00 0.26 H new ATOM 0 HD2 PHE A 19 19.634 -3.722 -7.165 1.00 0.23 H new ATOM 0 HE1 PHE A 19 16.016 -6.673 -8.710 1.00 0.28 H new ATOM 0 HE2 PHE A 19 17.888 -2.845 -8.653 1.00 0.25 H new ATOM 0 HZ PHE A 19 16.117 -4.340 -9.487 1.00 0.24 H new ATOM 307 N ASP A 20 22.333 -8.034 -5.101 1.00 0.15 N ATOM 308 CA ASP A 20 23.674 -8.094 -4.526 1.00 0.19 C ATOM 309 C ASP A 20 24.412 -9.370 -4.930 1.00 0.27 C ATOM 310 O ASP A 20 25.136 -9.386 -5.924 1.00 0.37 O ATOM 311 CB ASP A 20 23.611 -8.002 -3.000 1.00 0.20 C ATOM 312 CG ASP A 20 24.932 -8.362 -2.350 1.00 0.29 C ATOM 313 OD1 ASP A 20 25.986 -7.951 -2.878 1.00 0.34 O ATOM 314 OD2 ASP A 20 24.912 -9.049 -1.306 1.00 0.40 O ATOM 0 H ASP A 20 21.616 -8.506 -4.550 1.00 0.15 H new ATOM 0 HA ASP A 20 24.228 -7.242 -4.920 1.00 0.19 H new ATOM 0 HB2 ASP A 20 23.329 -6.990 -2.710 1.00 0.20 H new ATOM 0 HB3 ASP A 20 22.832 -8.668 -2.629 1.00 0.20 H new ATOM 319 N LYS A 21 24.196 -10.441 -4.160 1.00 0.35 N ATOM 320 CA LYS A 21 24.854 -11.727 -4.395 1.00 0.45 C ATOM 321 C LYS A 21 26.289 -11.540 -4.886 1.00 0.46 C ATOM 322 O LYS A 21 26.621 -11.875 -6.024 1.00 0.84 O ATOM 323 CB LYS A 21 24.057 -12.584 -5.378 1.00 0.53 C ATOM 324 CG LYS A 21 22.866 -13.290 -4.746 1.00 0.61 C ATOM 325 CD LYS A 21 23.307 -14.344 -3.742 1.00 0.69 C ATOM 326 CE LYS A 21 22.117 -14.982 -3.041 1.00 0.83 C ATOM 327 NZ LYS A 21 22.529 -16.108 -2.158 1.00 1.65 N ATOM 0 H LYS A 21 23.563 -10.440 -3.360 1.00 0.35 H new ATOM 0 HA LYS A 21 24.892 -12.250 -3.440 1.00 0.45 H new ATOM 0 HB2 LYS A 21 23.704 -11.953 -6.193 1.00 0.53 H new ATOM 0 HB3 LYS A 21 24.720 -13.330 -5.817 1.00 0.53 H new ATOM 0 HG2 LYS A 21 22.230 -12.557 -4.249 1.00 0.61 H new ATOM 0 HG3 LYS A 21 22.265 -13.758 -5.525 1.00 0.61 H new ATOM 0 HD2 LYS A 21 23.885 -15.114 -4.252 1.00 0.69 H new ATOM 0 HD3 LYS A 21 23.965 -13.889 -3.002 1.00 0.69 H new ATOM 0 HE2 LYS A 21 21.598 -14.228 -2.449 1.00 0.83 H new ATOM 0 HE3 LYS A 21 21.409 -15.345 -3.786 1.00 0.83 H new ATOM 0 HZ1 LYS A 21 21.689 -16.515 -1.699 1.00 1.65 H new ATOM 0 HZ2 LYS A 21 23.002 -16.840 -2.726 1.00 1.65 H new ATOM 0 HZ3 LYS A 21 23.184 -15.757 -1.431 1.00 1.65 H new ATOM 341 N GLU A 22 27.131 -11.002 -4.007 1.00 0.42 N ATOM 342 CA GLU A 22 28.541 -10.769 -4.316 1.00 0.47 C ATOM 343 C GLU A 22 29.399 -10.907 -3.059 1.00 0.45 C ATOM 344 O GLU A 22 30.628 -10.876 -3.132 1.00 0.53 O ATOM 345 CB GLU A 22 28.746 -9.377 -4.920 1.00 0.46 C ATOM 346 CG GLU A 22 28.187 -9.226 -6.325 1.00 0.66 C ATOM 347 CD GLU A 22 28.997 -9.981 -7.360 1.00 1.52 C ATOM 348 OE1 GLU A 22 29.966 -9.402 -7.893 1.00 1.49 O ATOM 349 OE2 GLU A 22 28.663 -11.153 -7.637 1.00 2.47 O ATOM 0 H GLU A 22 26.859 -10.717 -3.066 1.00 0.42 H new ATOM 0 HA GLU A 22 28.847 -11.520 -5.044 1.00 0.47 H new ATOM 0 HB2 GLU A 22 28.276 -8.638 -4.271 1.00 0.46 H new ATOM 0 HB3 GLU A 22 29.813 -9.153 -4.938 1.00 0.46 H new ATOM 0 HG2 GLU A 22 27.158 -9.584 -6.343 1.00 0.66 H new ATOM 0 HG3 GLU A 22 28.161 -8.169 -6.590 1.00 0.66 H new ATOM 356 N GLY A 23 28.745 -11.059 -1.911 1.00 0.48 N ATOM 357 CA GLY A 23 29.464 -11.190 -0.659 1.00 0.51 C ATOM 358 C GLY A 23 29.338 -9.945 0.196 1.00 0.45 C ATOM 359 O GLY A 23 29.970 -9.833 1.247 1.00 0.72 O ATOM 0 H GLY A 23 27.729 -11.094 -1.827 1.00 0.48 H new ATOM 0 HA2 GLY A 23 29.081 -12.049 -0.108 1.00 0.51 H new ATOM 0 HA3 GLY A 23 30.517 -11.386 -0.863 1.00 0.51 H new ATOM 363 N THR A 24 28.513 -9.008 -0.264 1.00 0.33 N ATOM 364 CA THR A 24 28.290 -7.756 0.447 1.00 0.33 C ATOM 365 C THR A 24 26.820 -7.355 0.359 1.00 0.27 C ATOM 366 O THR A 24 26.389 -6.777 -0.633 1.00 0.25 O ATOM 367 CB THR A 24 29.164 -6.619 -0.124 1.00 0.43 C ATOM 368 OG1 THR A 24 28.643 -6.178 -1.385 1.00 0.52 O ATOM 369 CG2 THR A 24 30.601 -7.080 -0.314 1.00 0.44 C ATOM 0 H THR A 24 27.985 -9.095 -1.133 1.00 0.33 H new ATOM 0 HA THR A 24 28.568 -7.915 1.489 1.00 0.33 H new ATOM 0 HB THR A 24 29.147 -5.795 0.590 1.00 0.43 H new ATOM 0 HG1 THR A 24 27.747 -5.803 -1.256 1.00 0.52 H new ATOM 0 HG21 THR A 24 31.196 -6.260 -0.717 1.00 0.44 H new ATOM 0 HG22 THR A 24 31.014 -7.390 0.646 1.00 0.44 H new ATOM 0 HG23 THR A 24 30.625 -7.921 -1.007 1.00 0.44 H new ATOM 377 N GLY A 25 26.055 -7.677 1.401 1.00 0.27 N ATOM 378 CA GLY A 25 24.637 -7.357 1.414 1.00 0.24 C ATOM 379 C GLY A 25 24.349 -5.873 1.501 1.00 0.20 C ATOM 380 O GLY A 25 23.817 -5.397 2.504 1.00 0.21 O ATOM 0 H GLY A 25 26.393 -8.154 2.237 1.00 0.27 H new ATOM 0 HA2 GLY A 25 24.175 -7.755 0.511 1.00 0.24 H new ATOM 0 HA3 GLY A 25 24.168 -7.859 2.260 1.00 0.24 H new ATOM 384 N LYS A 26 24.697 -5.142 0.452 1.00 0.16 N ATOM 385 CA LYS A 26 24.454 -3.711 0.403 1.00 0.14 C ATOM 386 C LYS A 26 24.209 -3.275 -1.031 1.00 0.14 C ATOM 387 O LYS A 26 25.081 -3.403 -1.890 1.00 0.17 O ATOM 388 CB LYS A 26 25.620 -2.912 0.990 1.00 0.17 C ATOM 389 CG LYS A 26 26.351 -3.606 2.125 1.00 0.37 C ATOM 390 CD LYS A 26 27.653 -2.898 2.462 1.00 0.50 C ATOM 391 CE LYS A 26 28.350 -3.547 3.645 1.00 0.56 C ATOM 392 NZ LYS A 26 28.775 -4.943 3.343 1.00 1.37 N ATOM 0 H LYS A 26 25.151 -5.520 -0.380 1.00 0.16 H new ATOM 0 HA LYS A 26 23.571 -3.508 1.009 1.00 0.14 H new ATOM 0 HB2 LYS A 26 26.333 -2.696 0.194 1.00 0.17 H new ATOM 0 HB3 LYS A 26 25.243 -1.954 1.349 1.00 0.17 H new ATOM 0 HG2 LYS A 26 25.712 -3.635 3.007 1.00 0.37 H new ATOM 0 HG3 LYS A 26 26.558 -4.640 1.848 1.00 0.37 H new ATOM 0 HD2 LYS A 26 28.313 -2.916 1.595 1.00 0.50 H new ATOM 0 HD3 LYS A 26 27.451 -1.851 2.687 1.00 0.50 H new ATOM 0 HE2 LYS A 26 29.222 -2.954 3.922 1.00 0.56 H new ATOM 0 HE3 LYS A 26 27.680 -3.550 4.504 1.00 0.56 H new ATOM 0 HZ1 LYS A 26 29.320 -5.321 4.144 1.00 1.37 H new ATOM 0 HZ2 LYS A 26 27.935 -5.535 3.186 1.00 1.37 H new ATOM 0 HZ3 LYS A 26 29.367 -4.948 2.488 1.00 1.37 H new ATOM 406 N ILE A 27 23.018 -2.758 -1.279 1.00 0.16 N ATOM 407 CA ILE A 27 22.646 -2.298 -2.613 1.00 0.19 C ATOM 408 C ILE A 27 22.871 -0.798 -2.749 1.00 0.19 C ATOM 409 O ILE A 27 22.699 -0.048 -1.794 1.00 0.22 O ATOM 410 CB ILE A 27 21.175 -2.611 -2.928 1.00 0.23 C ATOM 411 CG1 ILE A 27 20.277 -2.079 -1.810 1.00 0.28 C ATOM 412 CG2 ILE A 27 20.977 -4.108 -3.115 1.00 0.32 C ATOM 413 CD1 ILE A 27 18.799 -2.192 -2.106 1.00 0.34 C ATOM 0 H ILE A 27 22.288 -2.645 -0.575 1.00 0.16 H new ATOM 0 HA ILE A 27 23.280 -2.831 -3.322 1.00 0.19 H new ATOM 0 HB ILE A 27 20.900 -2.116 -3.859 1.00 0.23 H new ATOM 0 HG12 ILE A 27 20.496 -2.623 -0.891 1.00 0.28 H new ATOM 0 HG13 ILE A 27 20.522 -1.033 -1.627 1.00 0.28 H new ATOM 0 HG21 ILE A 27 19.930 -4.311 -3.337 1.00 0.32 H new ATOM 0 HG22 ILE A 27 21.598 -4.457 -3.940 1.00 0.32 H new ATOM 0 HG23 ILE A 27 21.262 -4.630 -2.201 1.00 0.32 H new ATOM 0 HD11 ILE A 27 18.228 -1.794 -1.267 1.00 0.34 H new ATOM 0 HD12 ILE A 27 18.564 -1.624 -3.006 1.00 0.34 H new ATOM 0 HD13 ILE A 27 18.538 -3.239 -2.259 1.00 0.34 H new ATOM 425 N ALA A 28 23.244 -0.366 -3.947 1.00 0.19 N ATOM 426 CA ALA A 28 23.495 1.048 -4.204 1.00 0.21 C ATOM 427 C ALA A 28 22.202 1.852 -4.118 1.00 0.20 C ATOM 428 O ALA A 28 21.170 1.452 -4.656 1.00 0.20 O ATOM 429 CB ALA A 28 24.151 1.229 -5.565 1.00 0.23 C ATOM 0 H ALA A 28 23.379 -0.973 -4.756 1.00 0.19 H new ATOM 0 HA ALA A 28 24.176 1.421 -3.439 1.00 0.21 H new ATOM 0 HB1 ALA A 28 24.332 2.289 -5.743 1.00 0.23 H new ATOM 0 HB2 ALA A 28 25.098 0.690 -5.587 1.00 0.23 H new ATOM 0 HB3 ALA A 28 23.493 0.838 -6.341 1.00 0.23 H new ATOM 435 N THR A 29 22.272 2.987 -3.422 1.00 0.21 N ATOM 436 CA THR A 29 21.117 3.864 -3.242 1.00 0.22 C ATOM 437 C THR A 29 20.517 4.292 -4.578 1.00 0.22 C ATOM 438 O THR A 29 19.307 4.483 -4.690 1.00 0.22 O ATOM 439 CB THR A 29 21.502 5.121 -2.437 1.00 0.26 C ATOM 440 OG1 THR A 29 22.467 5.891 -3.163 1.00 0.28 O ATOM 441 CG2 THR A 29 22.071 4.736 -1.083 1.00 0.28 C ATOM 0 H THR A 29 23.124 3.321 -2.971 1.00 0.21 H new ATOM 0 HA THR A 29 20.370 3.292 -2.692 1.00 0.22 H new ATOM 0 HB THR A 29 20.604 5.719 -2.283 1.00 0.26 H new ATOM 0 HG1 THR A 29 23.044 6.371 -2.533 1.00 0.28 H new ATOM 0 HG21 THR A 29 22.337 5.637 -0.530 1.00 0.28 H new ATOM 0 HG22 THR A 29 21.325 4.173 -0.522 1.00 0.28 H new ATOM 0 HG23 THR A 29 22.960 4.121 -1.223 1.00 0.28 H new ATOM 449 N ARG A 30 21.370 4.450 -5.586 1.00 0.23 N ATOM 450 CA ARG A 30 20.920 4.859 -6.912 1.00 0.25 C ATOM 451 C ARG A 30 20.051 3.783 -7.560 1.00 0.26 C ATOM 452 O ARG A 30 19.403 4.026 -8.578 1.00 0.43 O ATOM 453 CB ARG A 30 22.116 5.170 -7.803 1.00 0.29 C ATOM 454 CG ARG A 30 22.964 6.328 -7.300 1.00 1.36 C ATOM 455 CD ARG A 30 24.121 6.623 -8.242 1.00 1.46 C ATOM 456 NE ARG A 30 23.659 6.964 -9.584 1.00 1.85 N ATOM 457 CZ ARG A 30 24.346 7.723 -10.433 1.00 2.23 C ATOM 458 NH1 ARG A 30 25.524 8.223 -10.080 1.00 2.10 N ATOM 459 NH2 ARG A 30 23.856 7.982 -11.637 1.00 3.19 N ATOM 0 H ARG A 30 22.376 4.301 -5.510 1.00 0.23 H new ATOM 0 HA ARG A 30 20.316 5.759 -6.797 1.00 0.25 H new ATOM 0 HB2 ARG A 30 22.741 4.280 -7.882 1.00 0.29 H new ATOM 0 HB3 ARG A 30 21.760 5.400 -8.807 1.00 0.29 H new ATOM 0 HG2 ARG A 30 22.342 7.217 -7.196 1.00 1.36 H new ATOM 0 HG3 ARG A 30 23.352 6.093 -6.309 1.00 1.36 H new ATOM 0 HD2 ARG A 30 24.713 7.446 -7.842 1.00 1.46 H new ATOM 0 HD3 ARG A 30 24.777 5.754 -8.294 1.00 1.46 H new ATOM 0 HE ARG A 30 22.757 6.599 -9.888 1.00 1.85 H new ATOM 0 HH11 ARG A 30 25.905 8.025 -9.155 1.00 2.10 H new ATOM 0 HH12 ARG A 30 26.048 8.805 -10.734 1.00 2.10 H new ATOM 0 HH21 ARG A 30 22.952 7.599 -11.913 1.00 3.19 H new ATOM 0 HH22 ARG A 30 24.383 8.564 -12.288 1.00 3.19 H new ATOM 473 N GLU A 31 20.045 2.596 -6.963 1.00 0.17 N ATOM 474 CA GLU A 31 19.257 1.480 -7.476 1.00 0.18 C ATOM 475 C GLU A 31 18.312 0.953 -6.400 1.00 0.16 C ATOM 476 O GLU A 31 17.878 -0.198 -6.442 1.00 0.18 O ATOM 477 CB GLU A 31 20.182 0.360 -7.963 1.00 0.20 C ATOM 478 CG GLU A 31 19.504 -0.637 -8.888 1.00 0.26 C ATOM 479 CD GLU A 31 20.477 -1.649 -9.463 1.00 0.29 C ATOM 480 OE1 GLU A 31 20.960 -2.510 -8.698 1.00 0.28 O ATOM 481 OE2 GLU A 31 20.750 -1.584 -10.680 1.00 0.44 O ATOM 0 H GLU A 31 20.579 2.381 -6.121 1.00 0.17 H new ATOM 0 HA GLU A 31 18.660 1.835 -8.316 1.00 0.18 H new ATOM 0 HB2 GLU A 31 21.032 0.803 -8.482 1.00 0.20 H new ATOM 0 HB3 GLU A 31 20.579 -0.172 -7.099 1.00 0.20 H new ATOM 0 HG2 GLU A 31 18.720 -1.161 -8.341 1.00 0.26 H new ATOM 0 HG3 GLU A 31 19.019 -0.100 -9.703 1.00 0.26 H new ATOM 488 N LEU A 32 18.002 1.811 -5.434 1.00 0.17 N ATOM 489 CA LEU A 32 17.114 1.450 -4.335 1.00 0.19 C ATOM 490 C LEU A 32 15.649 1.518 -4.763 1.00 0.18 C ATOM 491 O LEU A 32 14.846 0.641 -4.425 1.00 0.17 O ATOM 492 CB LEU A 32 17.350 2.384 -3.147 1.00 0.24 C ATOM 493 CG LEU A 32 16.284 2.324 -2.053 1.00 0.29 C ATOM 494 CD1 LEU A 32 16.211 0.929 -1.459 1.00 0.39 C ATOM 495 CD2 LEU A 32 16.565 3.355 -0.973 1.00 0.38 C ATOM 0 H LEU A 32 18.355 2.767 -5.390 1.00 0.17 H new ATOM 0 HA LEU A 32 17.336 0.424 -4.043 1.00 0.19 H new ATOM 0 HB2 LEU A 32 18.317 2.146 -2.704 1.00 0.24 H new ATOM 0 HB3 LEU A 32 17.412 3.408 -3.516 1.00 0.24 H new ATOM 0 HG LEU A 32 15.318 2.557 -2.501 1.00 0.29 H new ATOM 0 HD11 LEU A 32 15.447 0.904 -0.682 1.00 0.39 H new ATOM 0 HD12 LEU A 32 15.957 0.213 -2.241 1.00 0.39 H new ATOM 0 HD13 LEU A 32 17.177 0.666 -1.027 1.00 0.39 H new ATOM 0 HD21 LEU A 32 15.795 3.296 -0.204 1.00 0.38 H new ATOM 0 HD22 LEU A 32 17.540 3.158 -0.526 1.00 0.38 H new ATOM 0 HD23 LEU A 32 16.563 4.352 -1.413 1.00 0.38 H new ATOM 507 N GLY A 33 15.311 2.575 -5.496 1.00 0.22 N ATOM 508 CA GLY A 33 13.950 2.759 -5.965 1.00 0.23 C ATOM 509 C GLY A 33 13.381 1.510 -6.606 1.00 0.20 C ATOM 510 O GLY A 33 12.190 1.230 -6.485 1.00 0.19 O ATOM 0 H GLY A 33 15.960 3.311 -5.774 1.00 0.22 H new ATOM 0 HA2 GLY A 33 13.318 3.053 -5.127 1.00 0.23 H new ATOM 0 HA3 GLY A 33 13.925 3.576 -6.686 1.00 0.23 H new ATOM 514 N THR A 34 14.237 0.756 -7.286 1.00 0.19 N ATOM 515 CA THR A 34 13.816 -0.465 -7.960 1.00 0.18 C ATOM 516 C THR A 34 13.154 -1.449 -6.998 1.00 0.16 C ATOM 517 O THR A 34 12.044 -1.918 -7.250 1.00 0.17 O ATOM 518 CB THR A 34 15.004 -1.160 -8.650 1.00 0.21 C ATOM 519 OG1 THR A 34 15.760 -0.206 -9.405 1.00 0.26 O ATOM 520 CG2 THR A 34 14.519 -2.268 -9.571 1.00 0.23 C ATOM 0 H THR A 34 15.229 0.970 -7.385 1.00 0.19 H new ATOM 0 HA THR A 34 13.085 -0.165 -8.711 1.00 0.18 H new ATOM 0 HB THR A 34 15.638 -1.598 -7.879 1.00 0.21 H new ATOM 0 HG1 THR A 34 16.515 -0.656 -9.839 1.00 0.26 H new ATOM 0 HG21 THR A 34 15.375 -2.745 -10.048 1.00 0.23 H new ATOM 0 HG22 THR A 34 13.967 -3.008 -8.991 1.00 0.23 H new ATOM 0 HG23 THR A 34 13.866 -1.846 -10.335 1.00 0.23 H new ATOM 528 N LEU A 35 13.834 -1.763 -5.896 1.00 0.13 N ATOM 529 CA LEU A 35 13.299 -2.707 -4.918 1.00 0.12 C ATOM 530 C LEU A 35 12.027 -2.208 -4.254 1.00 0.14 C ATOM 531 O LEU A 35 11.000 -2.879 -4.318 1.00 0.15 O ATOM 532 CB LEU A 35 14.343 -3.043 -3.850 1.00 0.13 C ATOM 533 CG LEU A 35 15.201 -4.276 -4.151 1.00 0.14 C ATOM 534 CD1 LEU A 35 15.633 -4.290 -5.606 1.00 0.18 C ATOM 535 CD2 LEU A 35 16.412 -4.321 -3.234 1.00 0.20 C ATOM 0 H LEU A 35 14.750 -1.380 -5.660 1.00 0.13 H new ATOM 0 HA LEU A 35 13.047 -3.610 -5.474 1.00 0.12 H new ATOM 0 HB2 LEU A 35 15.001 -2.183 -3.723 1.00 0.13 H new ATOM 0 HB3 LEU A 35 13.832 -3.197 -2.899 1.00 0.13 H new ATOM 0 HG LEU A 35 14.596 -5.164 -3.967 1.00 0.14 H new ATOM 0 HD11 LEU A 35 16.241 -5.174 -5.797 1.00 0.18 H new ATOM 0 HD12 LEU A 35 14.752 -4.311 -6.247 1.00 0.18 H new ATOM 0 HD13 LEU A 35 16.217 -3.395 -5.821 1.00 0.18 H new ATOM 0 HD21 LEU A 35 17.009 -5.204 -3.463 1.00 0.20 H new ATOM 0 HD22 LEU A 35 17.015 -3.426 -3.384 1.00 0.20 H new ATOM 0 HD23 LEU A 35 16.081 -4.366 -2.196 1.00 0.20 H new ATOM 547 N MET A 36 12.077 -1.030 -3.634 1.00 0.17 N ATOM 548 CA MET A 36 10.893 -0.504 -2.957 1.00 0.21 C ATOM 549 C MET A 36 9.678 -0.585 -3.875 1.00 0.23 C ATOM 550 O MET A 36 8.565 -0.848 -3.420 1.00 0.26 O ATOM 551 CB MET A 36 11.116 0.925 -2.458 1.00 0.25 C ATOM 552 CG MET A 36 11.998 1.770 -3.356 1.00 0.21 C ATOM 553 SD MET A 36 12.886 3.049 -2.441 1.00 0.30 S ATOM 554 CE MET A 36 11.569 3.741 -1.441 1.00 0.73 C ATOM 0 H MET A 36 12.903 -0.434 -3.586 1.00 0.17 H new ATOM 0 HA MET A 36 10.704 -1.123 -2.080 1.00 0.21 H new ATOM 0 HB2 MET A 36 10.148 1.416 -2.353 1.00 0.25 H new ATOM 0 HB3 MET A 36 11.562 0.885 -1.464 1.00 0.25 H new ATOM 0 HG2 MET A 36 12.716 1.127 -3.865 1.00 0.21 H new ATOM 0 HG3 MET A 36 11.385 2.237 -4.127 1.00 0.21 H new ATOM 0 HE1 MET A 36 11.824 4.763 -1.160 1.00 0.73 H new ATOM 0 HE2 MET A 36 10.641 3.743 -2.012 1.00 0.73 H new ATOM 0 HE3 MET A 36 11.440 3.139 -0.542 1.00 0.73 H new ATOM 564 N ARG A 37 9.895 -0.361 -5.169 1.00 0.23 N ATOM 565 CA ARG A 37 8.813 -0.457 -6.142 1.00 0.27 C ATOM 566 C ARG A 37 8.383 -1.913 -6.291 1.00 0.25 C ATOM 567 O ARG A 37 7.197 -2.234 -6.222 1.00 0.28 O ATOM 568 CB ARG A 37 9.258 0.098 -7.496 1.00 0.31 C ATOM 569 CG ARG A 37 9.404 1.610 -7.512 1.00 0.37 C ATOM 570 CD ARG A 37 9.956 2.107 -8.838 1.00 0.43 C ATOM 571 NE ARG A 37 10.190 3.548 -8.826 1.00 0.53 N ATOM 572 CZ ARG A 37 10.673 4.229 -9.862 1.00 0.71 C ATOM 573 NH1 ARG A 37 10.971 3.602 -10.992 1.00 0.94 N ATOM 574 NH2 ARG A 37 10.857 5.538 -9.768 1.00 0.79 N ATOM 0 H ARG A 37 10.802 -0.114 -5.564 1.00 0.23 H new ATOM 0 HA ARG A 37 7.969 0.134 -5.787 1.00 0.27 H new ATOM 0 HB2 ARG A 37 10.211 -0.354 -7.770 1.00 0.31 H new ATOM 0 HB3 ARG A 37 8.535 -0.197 -8.256 1.00 0.31 H new ATOM 0 HG2 ARG A 37 8.434 2.071 -7.326 1.00 0.37 H new ATOM 0 HG3 ARG A 37 10.065 1.920 -6.703 1.00 0.37 H new ATOM 0 HD2 ARG A 37 10.890 1.590 -9.059 1.00 0.43 H new ATOM 0 HD3 ARG A 37 9.258 1.860 -9.637 1.00 0.43 H new ATOM 0 HE ARG A 37 9.970 4.063 -7.973 1.00 0.53 H new ATOM 0 HH11 ARG A 37 10.830 2.595 -11.069 1.00 0.94 H new ATOM 0 HH12 ARG A 37 11.341 4.127 -11.784 1.00 0.94 H new ATOM 0 HH21 ARG A 37 10.628 6.024 -8.901 1.00 0.79 H new ATOM 0 HH22 ARG A 37 11.227 6.059 -10.563 1.00 0.79 H new ATOM 588 N THR A 38 9.369 -2.788 -6.500 1.00 0.24 N ATOM 589 CA THR A 38 9.120 -4.220 -6.640 1.00 0.29 C ATOM 590 C THR A 38 8.392 -4.754 -5.411 1.00 0.26 C ATOM 591 O THR A 38 7.778 -5.821 -5.447 1.00 0.32 O ATOM 592 CB THR A 38 10.440 -4.996 -6.827 1.00 0.38 C ATOM 593 OG1 THR A 38 11.177 -4.451 -7.927 1.00 1.07 O ATOM 594 CG2 THR A 38 10.180 -6.476 -7.078 1.00 0.67 C ATOM 0 H THR A 38 10.352 -2.526 -6.576 1.00 0.24 H new ATOM 0 HA THR A 38 8.499 -4.364 -7.524 1.00 0.29 H new ATOM 0 HB THR A 38 11.019 -4.897 -5.909 1.00 0.38 H new ATOM 0 HG1 THR A 38 11.595 -3.608 -7.655 1.00 1.07 H new ATOM 0 HG21 THR A 38 11.130 -6.996 -7.206 1.00 0.67 H new ATOM 0 HG22 THR A 38 9.645 -6.901 -6.228 1.00 0.67 H new ATOM 0 HG23 THR A 38 9.579 -6.592 -7.980 1.00 0.67 H new ATOM 602 N LEU A 39 8.465 -3.991 -4.325 1.00 0.21 N ATOM 603 CA LEU A 39 7.818 -4.361 -3.074 1.00 0.26 C ATOM 604 C LEU A 39 6.351 -3.943 -3.084 1.00 0.33 C ATOM 605 O LEU A 39 5.459 -4.776 -2.920 1.00 0.83 O ATOM 606 CB LEU A 39 8.540 -3.715 -1.887 1.00 0.24 C ATOM 607 CG LEU A 39 9.667 -4.542 -1.262 1.00 0.25 C ATOM 608 CD1 LEU A 39 10.756 -4.850 -2.277 1.00 0.29 C ATOM 609 CD2 LEU A 39 10.246 -3.803 -0.068 1.00 0.41 C ATOM 0 H LEU A 39 8.970 -3.106 -4.288 1.00 0.21 H new ATOM 0 HA LEU A 39 7.871 -5.445 -2.970 1.00 0.26 H new ATOM 0 HB2 LEU A 39 8.953 -2.761 -2.213 1.00 0.24 H new ATOM 0 HB3 LEU A 39 7.804 -3.496 -1.114 1.00 0.24 H new ATOM 0 HG LEU A 39 9.250 -5.492 -0.928 1.00 0.25 H new ATOM 0 HD11 LEU A 39 11.541 -5.438 -1.801 1.00 0.29 H new ATOM 0 HD12 LEU A 39 10.331 -5.415 -3.106 1.00 0.29 H new ATOM 0 HD13 LEU A 39 11.178 -3.918 -2.652 1.00 0.29 H new ATOM 0 HD21 LEU A 39 11.047 -4.396 0.373 1.00 0.41 H new ATOM 0 HD22 LEU A 39 10.643 -2.841 -0.393 1.00 0.41 H new ATOM 0 HD23 LEU A 39 9.464 -3.641 0.674 1.00 0.41 H new ATOM 621 N GLY A 40 6.107 -2.650 -3.278 1.00 0.48 N ATOM 622 CA GLY A 40 4.745 -2.152 -3.307 1.00 0.54 C ATOM 623 C GLY A 40 4.666 -0.636 -3.315 1.00 0.44 C ATOM 624 O GLY A 40 3.738 -0.061 -3.884 1.00 0.56 O ATOM 0 H GLY A 40 6.827 -1.941 -3.415 1.00 0.48 H new ATOM 0 HA2 GLY A 40 4.241 -2.541 -4.192 1.00 0.54 H new ATOM 0 HA3 GLY A 40 4.206 -2.534 -2.440 1.00 0.54 H new ATOM 628 N GLN A 41 5.639 0.012 -2.683 1.00 0.41 N ATOM 629 CA GLN A 41 5.668 1.469 -2.613 1.00 0.37 C ATOM 630 C GLN A 41 6.633 2.054 -3.641 1.00 0.29 C ATOM 631 O GLN A 41 7.811 1.699 -3.673 1.00 0.35 O ATOM 632 CB GLN A 41 6.069 1.928 -1.208 1.00 0.47 C ATOM 633 CG GLN A 41 5.029 1.613 -0.137 1.00 0.66 C ATOM 634 CD GLN A 41 4.759 0.126 0.037 1.00 0.90 C ATOM 635 OE1 GLN A 41 3.626 -0.279 0.294 1.00 1.79 O ATOM 636 NE2 GLN A 41 5.797 -0.698 -0.076 1.00 0.85 N ATOM 0 H GLN A 41 6.418 -0.448 -2.212 1.00 0.41 H new ATOM 0 HA GLN A 41 4.665 1.831 -2.838 1.00 0.37 H new ATOM 0 HB2 GLN A 41 7.012 1.454 -0.936 1.00 0.47 H new ATOM 0 HB3 GLN A 41 6.246 3.003 -1.224 1.00 0.47 H new ATOM 0 HG2 GLN A 41 5.364 2.026 0.814 1.00 0.66 H new ATOM 0 HG3 GLN A 41 4.096 2.115 -0.391 1.00 0.66 H new ATOM 0 HE21 GLN A 41 6.722 -0.326 -0.290 1.00 0.85 H new ATOM 0 HE22 GLN A 41 5.668 -1.702 0.051 1.00 0.85 H new ATOM 645 N ASN A 42 6.125 2.955 -4.478 1.00 0.34 N ATOM 646 CA ASN A 42 6.943 3.593 -5.502 1.00 0.29 C ATOM 647 C ASN A 42 7.422 4.969 -5.032 1.00 0.31 C ATOM 648 O ASN A 42 6.616 5.881 -4.852 1.00 0.36 O ATOM 649 CB ASN A 42 6.150 3.739 -6.803 1.00 0.34 C ATOM 650 CG ASN A 42 5.914 2.412 -7.502 1.00 0.43 C ATOM 651 OD1 ASN A 42 5.869 2.346 -8.730 1.00 1.03 O ATOM 652 ND2 ASN A 42 5.756 1.346 -6.724 1.00 0.96 N ATOM 0 H ASN A 42 5.151 3.259 -4.466 1.00 0.34 H new ATOM 0 HA ASN A 42 7.813 2.961 -5.683 1.00 0.29 H new ATOM 0 HB2 ASN A 42 5.189 4.206 -6.587 1.00 0.34 H new ATOM 0 HB3 ASN A 42 6.686 4.408 -7.476 1.00 0.34 H new ATOM 0 HD21 ASN A 42 5.590 0.430 -7.141 1.00 0.96 H new ATOM 0 HD22 ASN A 42 5.800 1.444 -5.710 1.00 0.96 H new ATOM 659 N PRO A 43 8.744 5.138 -4.828 1.00 0.30 N ATOM 660 CA PRO A 43 9.319 6.412 -4.377 1.00 0.35 C ATOM 661 C PRO A 43 9.423 7.442 -5.493 1.00 0.34 C ATOM 662 O PRO A 43 9.514 7.093 -6.671 1.00 0.52 O ATOM 663 CB PRO A 43 10.716 6.008 -3.915 1.00 0.40 C ATOM 664 CG PRO A 43 11.066 4.862 -4.796 1.00 0.35 C ATOM 665 CD PRO A 43 9.784 4.101 -4.996 1.00 0.27 C ATOM 0 HA PRO A 43 8.704 6.885 -3.611 1.00 0.35 H new ATOM 0 HB2 PRO A 43 11.426 6.828 -4.025 1.00 0.40 H new ATOM 0 HB3 PRO A 43 10.722 5.720 -2.864 1.00 0.40 H new ATOM 0 HG2 PRO A 43 11.469 5.208 -5.748 1.00 0.35 H new ATOM 0 HG3 PRO A 43 11.828 4.233 -4.337 1.00 0.35 H new ATOM 0 HD2 PRO A 43 9.739 3.642 -5.984 1.00 0.27 H new ATOM 0 HD3 PRO A 43 9.674 3.299 -4.266 1.00 0.27 H new ATOM 673 N THR A 44 9.408 8.715 -5.113 1.00 0.38 N ATOM 674 CA THR A 44 9.516 9.802 -6.075 1.00 0.38 C ATOM 675 C THR A 44 10.979 10.099 -6.386 1.00 0.34 C ATOM 676 O THR A 44 11.842 9.945 -5.523 1.00 0.33 O ATOM 677 CB THR A 44 8.843 11.086 -5.555 1.00 0.43 C ATOM 678 OG1 THR A 44 9.569 11.599 -4.432 1.00 0.43 O ATOM 679 CG2 THR A 44 7.402 10.812 -5.149 1.00 0.53 C ATOM 0 H THR A 44 9.322 9.018 -4.143 1.00 0.38 H new ATOM 0 HA THR A 44 9.004 9.480 -6.982 1.00 0.38 H new ATOM 0 HB THR A 44 8.846 11.824 -6.357 1.00 0.43 H new ATOM 0 HG1 THR A 44 9.136 12.416 -4.108 1.00 0.43 H new ATOM 0 HG21 THR A 44 6.945 11.732 -4.785 1.00 0.53 H new ATOM 0 HG22 THR A 44 6.844 10.447 -6.011 1.00 0.53 H new ATOM 0 HG23 THR A 44 7.383 10.060 -4.360 1.00 0.53 H new ATOM 687 N GLU A 45 11.258 10.515 -7.616 1.00 0.36 N ATOM 688 CA GLU A 45 12.626 10.824 -8.022 1.00 0.37 C ATOM 689 C GLU A 45 13.320 11.720 -6.995 1.00 0.33 C ATOM 690 O GLU A 45 14.493 11.521 -6.678 1.00 0.30 O ATOM 691 CB GLU A 45 12.632 11.503 -9.394 1.00 0.43 C ATOM 692 CG GLU A 45 14.027 11.826 -9.907 1.00 0.48 C ATOM 693 CD GLU A 45 14.011 12.449 -11.288 1.00 0.58 C ATOM 694 OE1 GLU A 45 13.841 13.683 -11.380 1.00 0.63 O ATOM 695 OE2 GLU A 45 14.169 11.703 -12.278 1.00 0.66 O ATOM 0 H GLU A 45 10.559 10.646 -8.347 1.00 0.36 H new ATOM 0 HA GLU A 45 13.176 9.885 -8.083 1.00 0.37 H new ATOM 0 HB2 GLU A 45 12.130 10.855 -10.113 1.00 0.43 H new ATOM 0 HB3 GLU A 45 12.053 12.424 -9.337 1.00 0.43 H new ATOM 0 HG2 GLU A 45 14.517 12.507 -9.211 1.00 0.48 H new ATOM 0 HG3 GLU A 45 14.621 10.913 -9.931 1.00 0.48 H new ATOM 702 N ALA A 46 12.577 12.686 -6.465 1.00 0.35 N ATOM 703 CA ALA A 46 13.113 13.628 -5.486 1.00 0.35 C ATOM 704 C ALA A 46 13.645 12.932 -4.233 1.00 0.32 C ATOM 705 O ALA A 46 14.802 13.117 -3.855 1.00 0.33 O ATOM 706 CB ALA A 46 12.047 14.644 -5.106 1.00 0.40 C ATOM 0 H ALA A 46 11.596 12.838 -6.698 1.00 0.35 H new ATOM 0 HA ALA A 46 13.957 14.135 -5.954 1.00 0.35 H new ATOM 0 HB1 ALA A 46 12.454 15.343 -4.376 1.00 0.40 H new ATOM 0 HB2 ALA A 46 11.732 15.191 -5.995 1.00 0.40 H new ATOM 0 HB3 ALA A 46 11.189 14.128 -4.675 1.00 0.40 H new ATOM 712 N GLU A 47 12.802 12.130 -3.591 1.00 0.30 N ATOM 713 CA GLU A 47 13.205 11.437 -2.373 1.00 0.30 C ATOM 714 C GLU A 47 14.380 10.501 -2.635 1.00 0.26 C ATOM 715 O GLU A 47 15.180 10.229 -1.742 1.00 0.26 O ATOM 716 CB GLU A 47 12.029 10.662 -1.769 1.00 0.33 C ATOM 717 CG GLU A 47 11.617 9.438 -2.568 1.00 0.37 C ATOM 718 CD GLU A 47 10.621 8.570 -1.826 1.00 0.88 C ATOM 719 OE1 GLU A 47 11.058 7.674 -1.073 1.00 1.15 O ATOM 720 OE2 GLU A 47 9.403 8.785 -1.999 1.00 1.43 O ATOM 0 H GLU A 47 11.845 11.945 -3.890 1.00 0.30 H new ATOM 0 HA GLU A 47 13.525 12.192 -1.655 1.00 0.30 H new ATOM 0 HB2 GLU A 47 12.294 10.351 -0.758 1.00 0.33 H new ATOM 0 HB3 GLU A 47 11.173 11.331 -1.682 1.00 0.33 H new ATOM 0 HG2 GLU A 47 11.182 9.756 -3.516 1.00 0.37 H new ATOM 0 HG3 GLU A 47 12.502 8.848 -2.806 1.00 0.37 H new ATOM 727 N LEU A 48 14.474 10.002 -3.861 1.00 0.24 N ATOM 728 CA LEU A 48 15.555 9.102 -4.233 1.00 0.22 C ATOM 729 C LEU A 48 16.909 9.797 -4.155 1.00 0.20 C ATOM 730 O LEU A 48 17.808 9.342 -3.455 1.00 0.19 O ATOM 731 CB LEU A 48 15.334 8.573 -5.650 1.00 0.25 C ATOM 732 CG LEU A 48 14.099 7.691 -5.831 1.00 0.27 C ATOM 733 CD1 LEU A 48 13.861 7.411 -7.306 1.00 0.31 C ATOM 734 CD2 LEU A 48 14.255 6.390 -5.058 1.00 0.29 C ATOM 0 H LEU A 48 13.815 10.206 -4.613 1.00 0.24 H new ATOM 0 HA LEU A 48 15.554 8.272 -3.526 1.00 0.22 H new ATOM 0 HB2 LEU A 48 15.257 9.422 -6.329 1.00 0.25 H new ATOM 0 HB3 LEU A 48 16.214 8.004 -5.949 1.00 0.25 H new ATOM 0 HG LEU A 48 13.233 8.222 -5.436 1.00 0.27 H new ATOM 0 HD11 LEU A 48 12.978 6.782 -7.419 1.00 0.31 H new ATOM 0 HD12 LEU A 48 13.706 8.352 -7.835 1.00 0.31 H new ATOM 0 HD13 LEU A 48 14.728 6.899 -7.724 1.00 0.31 H new ATOM 0 HD21 LEU A 48 13.366 5.775 -5.198 1.00 0.29 H new ATOM 0 HD22 LEU A 48 15.130 5.852 -5.423 1.00 0.29 H new ATOM 0 HD23 LEU A 48 14.380 6.610 -3.998 1.00 0.29 H new ATOM 746 N GLN A 49 17.046 10.908 -4.872 1.00 0.23 N ATOM 747 CA GLN A 49 18.305 11.646 -4.894 1.00 0.25 C ATOM 748 C GLN A 49 18.749 12.063 -3.494 1.00 0.25 C ATOM 749 O GLN A 49 19.943 12.057 -3.197 1.00 0.26 O ATOM 750 CB GLN A 49 18.198 12.870 -5.806 1.00 0.31 C ATOM 751 CG GLN A 49 17.291 13.966 -5.274 1.00 0.36 C ATOM 752 CD GLN A 49 16.304 14.460 -6.316 1.00 0.36 C ATOM 753 OE1 GLN A 49 15.901 15.622 -6.304 1.00 0.40 O ATOM 754 NE2 GLN A 49 15.910 13.572 -7.222 1.00 0.33 N ATOM 0 H GLN A 49 16.305 11.316 -5.443 1.00 0.23 H new ATOM 0 HA GLN A 49 19.065 10.974 -5.292 1.00 0.25 H new ATOM 0 HB2 GLN A 49 19.195 13.282 -5.960 1.00 0.31 H new ATOM 0 HB3 GLN A 49 17.830 12.551 -6.781 1.00 0.31 H new ATOM 0 HG2 GLN A 49 16.744 13.592 -4.408 1.00 0.36 H new ATOM 0 HG3 GLN A 49 17.900 14.802 -4.930 1.00 0.36 H new ATOM 0 HE21 GLN A 49 16.271 12.619 -7.193 1.00 0.33 H new ATOM 0 HE22 GLN A 49 15.246 13.844 -7.947 1.00 0.33 H new ATOM 763 N ASP A 50 17.798 12.426 -2.631 1.00 0.25 N ATOM 764 CA ASP A 50 18.151 12.843 -1.276 1.00 0.29 C ATOM 765 C ASP A 50 18.748 11.678 -0.486 1.00 0.27 C ATOM 766 O ASP A 50 19.814 11.815 0.110 1.00 0.30 O ATOM 767 CB ASP A 50 16.942 13.440 -0.536 1.00 0.33 C ATOM 768 CG ASP A 50 16.140 12.421 0.253 1.00 0.33 C ATOM 769 OD1 ASP A 50 16.658 11.915 1.267 1.00 0.35 O ATOM 770 OD2 ASP A 50 15.000 12.114 -0.155 1.00 0.33 O ATOM 0 H ASP A 50 16.800 12.440 -2.841 1.00 0.25 H new ATOM 0 HA ASP A 50 18.906 13.624 -1.359 1.00 0.29 H new ATOM 0 HB2 ASP A 50 17.292 14.217 0.143 1.00 0.33 H new ATOM 0 HB3 ASP A 50 16.286 13.922 -1.261 1.00 0.33 H new ATOM 775 N LEU A 51 18.063 10.533 -0.488 1.00 0.25 N ATOM 776 CA LEU A 51 18.545 9.358 0.231 1.00 0.27 C ATOM 777 C LEU A 51 19.819 8.820 -0.408 1.00 0.24 C ATOM 778 O LEU A 51 20.596 8.112 0.232 1.00 0.27 O ATOM 779 CB LEU A 51 17.462 8.272 0.292 1.00 0.30 C ATOM 780 CG LEU A 51 16.898 7.817 -1.054 1.00 0.29 C ATOM 781 CD1 LEU A 51 17.835 6.824 -1.717 1.00 0.30 C ATOM 782 CD2 LEU A 51 15.516 7.209 -0.872 1.00 0.35 C ATOM 0 H LEU A 51 17.178 10.397 -0.977 1.00 0.25 H new ATOM 0 HA LEU A 51 18.779 9.657 1.253 1.00 0.27 H new ATOM 0 HB2 LEU A 51 17.875 7.403 0.804 1.00 0.30 H new ATOM 0 HB3 LEU A 51 16.638 8.641 0.903 1.00 0.30 H new ATOM 0 HG LEU A 51 16.809 8.688 -1.703 1.00 0.29 H new ATOM 0 HD11 LEU A 51 17.416 6.512 -2.674 1.00 0.30 H new ATOM 0 HD12 LEU A 51 18.805 7.293 -1.881 1.00 0.30 H new ATOM 0 HD13 LEU A 51 17.957 5.953 -1.073 1.00 0.30 H new ATOM 0 HD21 LEU A 51 15.128 6.890 -1.840 1.00 0.35 H new ATOM 0 HD22 LEU A 51 15.582 6.349 -0.206 1.00 0.35 H new ATOM 0 HD23 LEU A 51 14.846 7.952 -0.440 1.00 0.35 H new ATOM 794 N ILE A 52 20.028 9.162 -1.677 1.00 0.20 N ATOM 795 CA ILE A 52 21.218 8.723 -2.396 1.00 0.21 C ATOM 796 C ILE A 52 22.448 9.472 -1.896 1.00 0.25 C ATOM 797 O ILE A 52 23.396 8.865 -1.397 1.00 0.29 O ATOM 798 CB ILE A 52 21.065 8.924 -3.921 1.00 0.23 C ATOM 799 CG1 ILE A 52 20.111 7.876 -4.494 1.00 0.25 C ATOM 800 CG2 ILE A 52 22.419 8.850 -4.615 1.00 0.28 C ATOM 801 CD1 ILE A 52 19.669 8.169 -5.913 1.00 0.31 C ATOM 0 H ILE A 52 19.391 9.739 -2.226 1.00 0.20 H new ATOM 0 HA ILE A 52 21.343 7.657 -2.205 1.00 0.21 H new ATOM 0 HB ILE A 52 20.648 9.915 -4.100 1.00 0.23 H new ATOM 0 HG12 ILE A 52 20.598 6.901 -4.468 1.00 0.25 H new ATOM 0 HG13 ILE A 52 19.231 7.810 -3.855 1.00 0.25 H new ATOM 0 HG21 ILE A 52 22.287 8.994 -5.687 1.00 0.28 H new ATOM 0 HG22 ILE A 52 23.072 9.629 -4.222 1.00 0.28 H new ATOM 0 HG23 ILE A 52 22.868 7.874 -4.433 1.00 0.28 H new ATOM 0 HD11 ILE A 52 18.994 7.384 -6.253 1.00 0.31 H new ATOM 0 HD12 ILE A 52 19.153 9.129 -5.943 1.00 0.31 H new ATOM 0 HD13 ILE A 52 20.541 8.206 -6.566 1.00 0.31 H new ATOM 813 N ALA A 53 22.426 10.793 -2.034 1.00 0.29 N ATOM 814 CA ALA A 53 23.533 11.625 -1.581 1.00 0.36 C ATOM 815 C ALA A 53 23.707 11.448 -0.085 1.00 0.38 C ATOM 816 O ALA A 53 24.796 11.614 0.465 1.00 0.45 O ATOM 817 CB ALA A 53 23.264 13.084 -1.916 1.00 0.40 C ATOM 0 H ALA A 53 21.654 11.310 -2.456 1.00 0.29 H new ATOM 0 HA ALA A 53 24.449 11.322 -2.088 1.00 0.36 H new ATOM 0 HB1 ALA A 53 24.098 13.696 -1.573 1.00 0.40 H new ATOM 0 HB2 ALA A 53 23.152 13.195 -2.995 1.00 0.40 H new ATOM 0 HB3 ALA A 53 22.348 13.408 -1.421 1.00 0.40 H new ATOM 823 N GLU A 54 22.599 11.107 0.554 1.00 0.40 N ATOM 824 CA GLU A 54 22.550 10.880 1.986 1.00 0.47 C ATOM 825 C GLU A 54 23.524 9.783 2.412 1.00 0.40 C ATOM 826 O GLU A 54 24.388 10.006 3.260 1.00 0.45 O ATOM 827 CB GLU A 54 21.113 10.513 2.364 1.00 0.59 C ATOM 828 CG GLU A 54 20.997 9.553 3.526 1.00 0.69 C ATOM 829 CD GLU A 54 19.617 9.555 4.153 1.00 1.02 C ATOM 830 OE1 GLU A 54 19.363 10.411 5.028 1.00 1.27 O ATOM 831 OE2 GLU A 54 18.790 8.701 3.772 1.00 1.47 O ATOM 0 H GLU A 54 21.701 10.979 0.087 1.00 0.40 H new ATOM 0 HA GLU A 54 22.853 11.787 2.508 1.00 0.47 H new ATOM 0 HB2 GLU A 54 20.570 11.426 2.608 1.00 0.59 H new ATOM 0 HB3 GLU A 54 20.623 10.073 1.495 1.00 0.59 H new ATOM 0 HG2 GLU A 54 21.235 8.546 3.184 1.00 0.69 H new ATOM 0 HG3 GLU A 54 21.736 9.815 4.283 1.00 0.69 H new ATOM 838 N ALA A 55 23.381 8.601 1.821 1.00 0.33 N ATOM 839 CA ALA A 55 24.254 7.480 2.146 1.00 0.31 C ATOM 840 C ALA A 55 25.688 7.753 1.705 1.00 0.33 C ATOM 841 O ALA A 55 26.638 7.258 2.310 1.00 0.41 O ATOM 842 CB ALA A 55 23.733 6.204 1.504 1.00 0.37 C ATOM 0 H ALA A 55 22.672 8.396 1.117 1.00 0.33 H new ATOM 0 HA ALA A 55 24.255 7.354 3.229 1.00 0.31 H new ATOM 0 HB1 ALA A 55 24.394 5.374 1.755 1.00 0.37 H new ATOM 0 HB2 ALA A 55 22.730 5.993 1.875 1.00 0.37 H new ATOM 0 HB3 ALA A 55 23.701 6.328 0.422 1.00 0.37 H new ATOM 848 N GLU A 56 25.837 8.538 0.643 1.00 0.34 N ATOM 849 CA GLU A 56 27.156 8.879 0.122 1.00 0.44 C ATOM 850 C GLU A 56 27.909 9.783 1.093 1.00 0.52 C ATOM 851 O GLU A 56 29.139 9.772 1.139 1.00 0.65 O ATOM 852 CB GLU A 56 27.029 9.565 -1.240 1.00 0.50 C ATOM 853 CG GLU A 56 26.460 8.663 -2.323 1.00 0.61 C ATOM 854 CD GLU A 56 26.362 9.355 -3.667 1.00 1.09 C ATOM 855 OE1 GLU A 56 25.343 10.036 -3.912 1.00 1.88 O ATOM 856 OE2 GLU A 56 27.303 9.217 -4.476 1.00 1.31 O ATOM 0 H GLU A 56 25.060 8.950 0.126 1.00 0.34 H new ATOM 0 HA GLU A 56 27.721 7.955 0.003 1.00 0.44 H new ATOM 0 HB2 GLU A 56 26.391 10.443 -1.138 1.00 0.50 H new ATOM 0 HB3 GLU A 56 28.011 9.919 -1.552 1.00 0.50 H new ATOM 0 HG2 GLU A 56 27.088 7.777 -2.420 1.00 0.61 H new ATOM 0 HG3 GLU A 56 25.470 8.320 -2.022 1.00 0.61 H new ATOM 863 N ASN A 57 27.161 10.564 1.867 1.00 0.54 N ATOM 864 CA ASN A 57 27.759 11.472 2.838 1.00 0.68 C ATOM 865 C ASN A 57 28.077 10.739 4.135 1.00 0.70 C ATOM 866 O ASN A 57 29.102 10.993 4.770 1.00 0.98 O ATOM 867 CB ASN A 57 26.821 12.648 3.118 1.00 0.79 C ATOM 868 CG ASN A 57 27.403 13.620 4.126 1.00 0.96 C ATOM 869 OD1 ASN A 57 27.183 13.490 5.330 1.00 1.37 O ATOM 870 ND2 ASN A 57 28.151 14.601 3.637 1.00 1.66 N ATOM 0 H ASN A 57 26.142 10.586 1.840 1.00 0.54 H new ATOM 0 HA ASN A 57 28.689 11.855 2.418 1.00 0.68 H new ATOM 0 HB2 ASN A 57 26.614 13.175 2.186 1.00 0.79 H new ATOM 0 HB3 ASN A 57 25.868 12.270 3.489 1.00 0.79 H new ATOM 0 HD21 ASN A 57 28.570 15.285 4.267 1.00 1.66 H new ATOM 0 HD22 ASN A 57 28.307 14.671 2.631 1.00 1.66 H new ATOM 877 N ASN A 58 27.191 9.828 4.525 1.00 0.64 N ATOM 878 CA ASN A 58 27.377 9.051 5.744 1.00 0.70 C ATOM 879 C ASN A 58 28.240 7.824 5.472 1.00 0.63 C ATOM 880 O ASN A 58 29.369 7.726 5.952 1.00 0.89 O ATOM 881 CB ASN A 58 26.023 8.622 6.311 1.00 0.79 C ATOM 882 CG ASN A 58 25.113 9.800 6.593 1.00 1.13 C ATOM 883 OD1 ASN A 58 25.576 10.895 6.916 1.00 2.14 O ATOM 884 ND2 ASN A 58 23.809 9.584 6.469 1.00 1.12 N ATOM 0 H ASN A 58 26.336 9.610 4.013 1.00 0.64 H new ATOM 0 HA ASN A 58 27.885 9.679 6.476 1.00 0.70 H new ATOM 0 HB2 ASN A 58 25.534 7.950 5.606 1.00 0.79 H new ATOM 0 HB3 ASN A 58 26.180 8.060 7.231 1.00 0.79 H new ATOM 0 HD21 ASN A 58 23.148 10.341 6.643 1.00 1.12 H new ATOM 0 HD22 ASN A 58 23.468 8.661 6.199 1.00 1.12 H new ATOM 891 N ASN A 59 27.698 6.892 4.696 1.00 0.54 N ATOM 892 CA ASN A 59 28.413 5.670 4.350 1.00 0.72 C ATOM 893 C ASN A 59 29.232 5.862 3.077 1.00 0.82 C ATOM 894 O ASN A 59 29.441 6.988 2.628 1.00 1.69 O ATOM 895 CB ASN A 59 27.426 4.515 4.165 1.00 0.81 C ATOM 896 CG ASN A 59 26.525 4.325 5.370 1.00 0.88 C ATOM 897 OD1 ASN A 59 26.917 4.598 6.504 1.00 1.09 O ATOM 898 ND2 ASN A 59 25.308 3.852 5.127 1.00 0.93 N ATOM 0 H ASN A 59 26.763 6.960 4.294 1.00 0.54 H new ATOM 0 HA ASN A 59 29.094 5.431 5.167 1.00 0.72 H new ATOM 0 HB2 ASN A 59 26.814 4.702 3.283 1.00 0.81 H new ATOM 0 HB3 ASN A 59 27.979 3.594 3.980 1.00 0.81 H new ATOM 0 HD21 ASN A 59 24.656 3.702 5.897 1.00 0.93 H new ATOM 0 HD22 ASN A 59 25.025 3.639 4.170 1.00 0.93 H new ATOM 905 N ASN A 60 29.691 4.757 2.500 1.00 0.78 N ATOM 906 CA ASN A 60 30.488 4.804 1.279 1.00 0.73 C ATOM 907 C ASN A 60 29.646 5.261 0.089 1.00 0.61 C ATOM 908 O ASN A 60 30.062 6.122 -0.685 1.00 0.68 O ATOM 909 CB ASN A 60 31.093 3.429 0.990 1.00 0.76 C ATOM 910 CG ASN A 60 32.004 2.952 2.105 1.00 1.00 C ATOM 911 OD1 ASN A 60 31.556 2.312 3.057 1.00 1.32 O ATOM 912 ND2 ASN A 60 33.290 3.261 1.993 1.00 1.74 N ATOM 0 H ASN A 60 29.525 3.817 2.858 1.00 0.78 H new ATOM 0 HA ASN A 60 31.290 5.526 1.429 1.00 0.73 H new ATOM 0 HB2 ASN A 60 30.291 2.705 0.845 1.00 0.76 H new ATOM 0 HB3 ASN A 60 31.656 3.472 0.058 1.00 0.76 H new ATOM 0 HD21 ASN A 60 33.950 2.966 2.713 1.00 1.74 H new ATOM 0 HD22 ASN A 60 33.618 3.793 1.187 1.00 1.74 H new ATOM 919 N GLY A 61 28.460 4.675 -0.046 1.00 0.53 N ATOM 920 CA GLY A 61 27.573 5.027 -1.144 1.00 0.47 C ATOM 921 C GLY A 61 26.512 3.973 -1.391 1.00 0.41 C ATOM 922 O GLY A 61 25.744 4.067 -2.350 1.00 0.56 O ATOM 0 H GLY A 61 28.096 3.962 0.586 1.00 0.53 H new ATOM 0 HA2 GLY A 61 27.091 5.980 -0.927 1.00 0.47 H new ATOM 0 HA3 GLY A 61 28.160 5.167 -2.051 1.00 0.47 H new ATOM 926 N GLN A 62 26.469 2.969 -0.523 1.00 0.28 N ATOM 927 CA GLN A 62 25.498 1.890 -0.638 1.00 0.22 C ATOM 928 C GLN A 62 24.734 1.709 0.670 1.00 0.19 C ATOM 929 O GLN A 62 25.204 2.113 1.734 1.00 0.22 O ATOM 930 CB GLN A 62 26.182 0.581 -1.053 1.00 0.22 C ATOM 931 CG GLN A 62 27.609 0.425 -0.539 1.00 0.31 C ATOM 932 CD GLN A 62 27.717 0.447 0.977 1.00 1.15 C ATOM 933 OE1 GLN A 62 28.743 0.844 1.529 1.00 1.44 O ATOM 934 NE2 GLN A 62 26.660 0.028 1.656 1.00 1.87 N ATOM 0 H GLN A 62 27.101 2.881 0.273 1.00 0.28 H new ATOM 0 HA GLN A 62 24.783 2.160 -1.416 1.00 0.22 H new ATOM 0 HB2 GLN A 62 25.585 -0.257 -0.692 1.00 0.22 H new ATOM 0 HB3 GLN A 62 26.192 0.520 -2.141 1.00 0.22 H new ATOM 0 HG2 GLN A 62 28.019 -0.514 -0.910 1.00 0.31 H new ATOM 0 HG3 GLN A 62 28.224 1.226 -0.950 1.00 0.31 H new ATOM 0 HE21 GLN A 62 25.829 -0.293 1.159 1.00 1.87 H new ATOM 0 HE22 GLN A 62 26.677 0.026 2.676 1.00 1.87 H new ATOM 943 N LEU A 63 23.547 1.123 0.579 1.00 0.19 N ATOM 944 CA LEU A 63 22.711 0.896 1.750 1.00 0.19 C ATOM 945 C LEU A 63 22.688 -0.582 2.122 1.00 0.18 C ATOM 946 O LEU A 63 22.837 -1.451 1.262 1.00 0.19 O ATOM 947 CB LEU A 63 21.286 1.400 1.491 1.00 0.23 C ATOM 948 CG LEU A 63 20.487 0.613 0.450 1.00 0.25 C ATOM 949 CD1 LEU A 63 19.771 -0.561 1.099 1.00 0.28 C ATOM 950 CD2 LEU A 63 19.489 1.519 -0.253 1.00 0.39 C ATOM 0 H LEU A 63 23.141 0.795 -0.297 1.00 0.19 H new ATOM 0 HA LEU A 63 23.136 1.452 2.586 1.00 0.19 H new ATOM 0 HB2 LEU A 63 20.737 1.384 2.433 1.00 0.23 H new ATOM 0 HB3 LEU A 63 21.340 2.441 1.171 1.00 0.23 H new ATOM 0 HG LEU A 63 21.184 0.224 -0.292 1.00 0.25 H new ATOM 0 HD11 LEU A 63 19.209 -1.108 0.342 1.00 0.28 H new ATOM 0 HD12 LEU A 63 20.503 -1.226 1.557 1.00 0.28 H new ATOM 0 HD13 LEU A 63 19.087 -0.192 1.863 1.00 0.28 H new ATOM 0 HD21 LEU A 63 18.930 0.942 -0.990 1.00 0.39 H new ATOM 0 HD22 LEU A 63 18.799 1.938 0.480 1.00 0.39 H new ATOM 0 HD23 LEU A 63 20.022 2.328 -0.754 1.00 0.39 H new ATOM 962 N ASN A 64 22.478 -0.854 3.403 1.00 0.18 N ATOM 963 CA ASN A 64 22.425 -2.221 3.906 1.00 0.18 C ATOM 964 C ASN A 64 20.982 -2.708 3.969 1.00 0.17 C ATOM 965 O ASN A 64 20.052 -1.906 4.053 1.00 0.17 O ATOM 966 CB ASN A 64 23.072 -2.316 5.289 1.00 0.20 C ATOM 967 CG ASN A 64 24.475 -1.740 5.314 1.00 0.26 C ATOM 968 OD1 ASN A 64 25.453 -2.445 5.062 1.00 0.74 O ATOM 969 ND2 ASN A 64 24.579 -0.453 5.619 1.00 0.61 N ATOM 0 H ASN A 64 22.341 -0.140 4.118 1.00 0.18 H new ATOM 0 HA ASN A 64 22.983 -2.858 3.219 1.00 0.18 H new ATOM 0 HB2 ASN A 64 22.453 -1.787 6.014 1.00 0.20 H new ATOM 0 HB3 ASN A 64 23.106 -3.360 5.600 1.00 0.20 H new ATOM 0 HD21 ASN A 64 25.497 -0.009 5.652 1.00 0.61 H new ATOM 0 HD22 ASN A 64 23.741 0.093 5.821 1.00 0.61 H new ATOM 976 N PHE A 65 20.800 -4.020 3.923 1.00 0.17 N ATOM 977 CA PHE A 65 19.466 -4.609 3.958 1.00 0.17 C ATOM 978 C PHE A 65 18.631 -4.077 5.125 1.00 0.19 C ATOM 979 O PHE A 65 17.412 -3.948 5.008 1.00 0.18 O ATOM 980 CB PHE A 65 19.557 -6.135 4.038 1.00 0.19 C ATOM 981 CG PHE A 65 18.215 -6.804 4.134 1.00 0.18 C ATOM 982 CD1 PHE A 65 17.633 -7.044 5.369 1.00 0.19 C ATOM 983 CD2 PHE A 65 17.527 -7.179 2.990 1.00 0.20 C ATOM 984 CE1 PHE A 65 16.393 -7.643 5.463 1.00 0.19 C ATOM 985 CE2 PHE A 65 16.288 -7.781 3.080 1.00 0.21 C ATOM 986 CZ PHE A 65 15.719 -8.012 4.317 1.00 0.19 C ATOM 0 H PHE A 65 21.559 -4.699 3.861 1.00 0.17 H new ATOM 0 HA PHE A 65 18.965 -4.322 3.033 1.00 0.17 H new ATOM 0 HB2 PHE A 65 20.079 -6.508 3.157 1.00 0.19 H new ATOM 0 HB3 PHE A 65 20.157 -6.412 4.905 1.00 0.19 H new ATOM 0 HD1 PHE A 65 18.157 -6.759 6.269 1.00 0.19 H new ATOM 0 HD2 PHE A 65 17.965 -6.998 2.019 1.00 0.20 H new ATOM 0 HE1 PHE A 65 15.951 -7.823 6.432 1.00 0.19 H new ATOM 0 HE2 PHE A 65 15.763 -8.072 2.182 1.00 0.21 H new ATOM 0 HZ PHE A 65 14.748 -8.481 4.387 1.00 0.19 H new ATOM 996 N THR A 66 19.278 -3.764 6.245 1.00 0.23 N ATOM 997 CA THR A 66 18.557 -3.273 7.418 1.00 0.25 C ATOM 998 C THR A 66 17.898 -1.923 7.166 1.00 0.24 C ATOM 999 O THR A 66 16.693 -1.773 7.365 1.00 0.24 O ATOM 1000 CB THR A 66 19.462 -3.143 8.653 1.00 0.30 C ATOM 1001 OG1 THR A 66 20.118 -4.389 8.918 1.00 0.33 O ATOM 1002 CG2 THR A 66 18.638 -2.726 9.867 1.00 0.32 C ATOM 0 H THR A 66 20.288 -3.840 6.366 1.00 0.23 H new ATOM 0 HA THR A 66 17.790 -4.023 7.612 1.00 0.25 H new ATOM 0 HB THR A 66 20.215 -2.380 8.454 1.00 0.30 H new ATOM 0 HG1 THR A 66 20.693 -4.295 9.706 1.00 0.33 H new ATOM 0 HG21 THR A 66 19.290 -2.637 10.736 1.00 0.32 H new ATOM 0 HG22 THR A 66 18.162 -1.765 9.671 1.00 0.32 H new ATOM 0 HG23 THR A 66 17.873 -3.477 10.063 1.00 0.32 H new ATOM 1010 N GLU A 67 18.677 -0.936 6.740 1.00 0.25 N ATOM 1011 CA GLU A 67 18.123 0.388 6.496 1.00 0.26 C ATOM 1012 C GLU A 67 17.013 0.321 5.454 1.00 0.23 C ATOM 1013 O GLU A 67 15.984 0.979 5.600 1.00 0.23 O ATOM 1014 CB GLU A 67 19.209 1.388 6.087 1.00 0.29 C ATOM 1015 CG GLU A 67 20.118 0.911 4.971 1.00 0.27 C ATOM 1016 CD GLU A 67 21.273 1.862 4.729 1.00 0.45 C ATOM 1017 OE1 GLU A 67 21.048 2.929 4.119 1.00 0.66 O ATOM 1018 OE2 GLU A 67 22.406 1.539 5.144 1.00 0.61 O ATOM 0 H GLU A 67 19.677 -1.025 6.559 1.00 0.25 H new ATOM 0 HA GLU A 67 17.692 0.747 7.431 1.00 0.26 H new ATOM 0 HB2 GLU A 67 18.731 2.317 5.776 1.00 0.29 H new ATOM 0 HB3 GLU A 67 19.819 1.620 6.960 1.00 0.29 H new ATOM 0 HG2 GLU A 67 20.508 -0.076 5.219 1.00 0.27 H new ATOM 0 HG3 GLU A 67 19.539 0.804 4.054 1.00 0.27 H new ATOM 1025 N PHE A 68 17.214 -0.473 4.403 1.00 0.22 N ATOM 1026 CA PHE A 68 16.191 -0.614 3.373 1.00 0.20 C ATOM 1027 C PHE A 68 14.906 -1.172 3.965 1.00 0.18 C ATOM 1028 O PHE A 68 13.837 -0.582 3.818 1.00 0.19 O ATOM 1029 CB PHE A 68 16.654 -1.536 2.245 1.00 0.19 C ATOM 1030 CG PHE A 68 15.537 -1.897 1.305 1.00 0.18 C ATOM 1031 CD1 PHE A 68 14.701 -0.910 0.808 1.00 0.25 C ATOM 1032 CD2 PHE A 68 15.310 -3.212 0.932 1.00 0.17 C ATOM 1033 CE1 PHE A 68 13.663 -1.223 -0.040 1.00 0.27 C ATOM 1034 CE2 PHE A 68 14.271 -3.531 0.079 1.00 0.18 C ATOM 1035 CZ PHE A 68 13.447 -2.532 -0.406 1.00 0.23 C ATOM 0 H PHE A 68 18.061 -1.019 4.245 1.00 0.22 H new ATOM 0 HA PHE A 68 16.010 0.381 2.966 1.00 0.20 H new ATOM 0 HB2 PHE A 68 17.453 -1.049 1.686 1.00 0.19 H new ATOM 0 HB3 PHE A 68 17.074 -2.446 2.673 1.00 0.19 H new ATOM 0 HD1 PHE A 68 14.866 0.119 1.090 1.00 0.25 H new ATOM 0 HD2 PHE A 68 15.951 -3.994 1.311 1.00 0.17 H new ATOM 0 HE1 PHE A 68 13.019 -0.443 -0.418 1.00 0.27 H new ATOM 0 HE2 PHE A 68 14.103 -4.558 -0.208 1.00 0.18 H new ATOM 0 HZ PHE A 68 12.634 -2.779 -1.072 1.00 0.23 H new ATOM 1045 N CYS A 69 15.013 -2.333 4.605 1.00 0.18 N ATOM 1046 CA CYS A 69 13.854 -2.968 5.225 1.00 0.19 C ATOM 1047 C CYS A 69 13.134 -1.964 6.113 1.00 0.20 C ATOM 1048 O CYS A 69 11.906 -1.964 6.212 1.00 0.20 O ATOM 1049 CB CYS A 69 14.273 -4.199 6.038 1.00 0.21 C ATOM 1050 SG CYS A 69 14.798 -3.848 7.732 1.00 0.26 S ATOM 0 H CYS A 69 15.886 -2.851 4.708 1.00 0.18 H new ATOM 0 HA CYS A 69 13.176 -3.301 4.439 1.00 0.19 H new ATOM 0 HB2 CYS A 69 13.437 -4.898 6.069 1.00 0.21 H new ATOM 0 HB3 CYS A 69 15.088 -4.701 5.517 1.00 0.21 H new ATOM 0 HG CYS A 69 15.622 -2.842 7.731 1.00 0.26 H new ATOM 1056 N GLY A 70 13.919 -1.100 6.752 1.00 0.22 N ATOM 1057 CA GLY A 70 13.356 -0.078 7.606 1.00 0.25 C ATOM 1058 C GLY A 70 12.609 0.959 6.790 1.00 0.25 C ATOM 1059 O GLY A 70 11.623 1.539 7.246 1.00 0.27 O ATOM 0 H GLY A 70 14.937 -1.093 6.691 1.00 0.22 H new ATOM 0 HA2 GLY A 70 12.679 -0.534 8.328 1.00 0.25 H new ATOM 0 HA3 GLY A 70 14.151 0.405 8.175 1.00 0.25 H new ATOM 1063 N ILE A 71 13.097 1.180 5.571 1.00 0.25 N ATOM 1064 CA ILE A 71 12.509 2.144 4.648 1.00 0.27 C ATOM 1065 C ILE A 71 11.176 1.670 4.097 1.00 0.26 C ATOM 1066 O ILE A 71 10.161 2.345 4.253 1.00 0.29 O ATOM 1067 CB ILE A 71 13.465 2.435 3.477 1.00 0.28 C ATOM 1068 CG1 ILE A 71 14.608 3.307 3.984 1.00 0.30 C ATOM 1069 CG2 ILE A 71 12.727 3.108 2.323 1.00 0.30 C ATOM 1070 CD1 ILE A 71 15.585 3.731 2.908 1.00 0.33 C ATOM 0 H ILE A 71 13.912 0.694 5.197 1.00 0.25 H new ATOM 0 HA ILE A 71 12.339 3.057 5.219 1.00 0.27 H new ATOM 0 HB ILE A 71 13.869 1.498 3.094 1.00 0.28 H new ATOM 0 HG12 ILE A 71 14.191 4.198 4.453 1.00 0.30 H new ATOM 0 HG13 ILE A 71 15.150 2.764 4.758 1.00 0.30 H new ATOM 0 HG21 ILE A 71 13.425 3.303 1.509 1.00 0.30 H new ATOM 0 HG22 ILE A 71 11.931 2.453 1.969 1.00 0.30 H new ATOM 0 HG23 ILE A 71 12.298 4.049 2.666 1.00 0.30 H new ATOM 0 HD11 ILE A 71 16.367 4.348 3.350 1.00 0.33 H new ATOM 0 HD12 ILE A 71 16.033 2.847 2.454 1.00 0.33 H new ATOM 0 HD13 ILE A 71 15.059 4.304 2.144 1.00 0.33 H new ATOM 1082 N MET A 72 11.180 0.522 3.436 1.00 0.24 N ATOM 1083 CA MET A 72 9.954 -0.017 2.875 1.00 0.25 C ATOM 1084 C MET A 72 8.885 -0.067 3.954 1.00 0.27 C ATOM 1085 O MET A 72 7.704 0.154 3.690 1.00 0.31 O ATOM 1086 CB MET A 72 10.199 -1.402 2.278 1.00 0.23 C ATOM 1087 CG MET A 72 10.839 -2.387 3.247 1.00 0.26 C ATOM 1088 SD MET A 72 9.646 -3.161 4.356 1.00 0.49 S ATOM 1089 CE MET A 72 8.489 -3.850 3.178 1.00 0.33 C ATOM 0 H MET A 72 12.011 -0.048 3.277 1.00 0.24 H new ATOM 0 HA MET A 72 9.610 0.632 2.069 1.00 0.25 H new ATOM 0 HB2 MET A 72 9.249 -1.811 1.933 1.00 0.23 H new ATOM 0 HB3 MET A 72 10.839 -1.301 1.402 1.00 0.23 H new ATOM 0 HG2 MET A 72 11.356 -3.162 2.680 1.00 0.26 H new ATOM 0 HG3 MET A 72 11.593 -1.868 3.839 1.00 0.26 H new ATOM 0 HE1 MET A 72 7.708 -4.394 3.710 1.00 0.33 H new ATOM 0 HE2 MET A 72 8.039 -3.045 2.597 1.00 0.33 H new ATOM 0 HE3 MET A 72 9.014 -4.532 2.509 1.00 0.33 H new ATOM 1099 N ALA A 73 9.318 -0.359 5.176 1.00 0.26 N ATOM 1100 CA ALA A 73 8.416 -0.413 6.314 1.00 0.29 C ATOM 1101 C ALA A 73 7.749 0.942 6.554 1.00 0.31 C ATOM 1102 O ALA A 73 6.523 1.027 6.633 1.00 0.36 O ATOM 1103 CB ALA A 73 9.171 -0.858 7.556 1.00 0.29 C ATOM 0 H ALA A 73 10.292 -0.562 5.401 1.00 0.26 H new ATOM 0 HA ALA A 73 7.632 -1.138 6.094 1.00 0.29 H new ATOM 0 HB1 ALA A 73 8.487 -0.895 8.404 1.00 0.29 H new ATOM 0 HB2 ALA A 73 9.596 -1.848 7.388 1.00 0.29 H new ATOM 0 HB3 ALA A 73 9.973 -0.150 7.768 1.00 0.29 H new ATOM 1109 N LYS A 74 8.557 2.001 6.669 1.00 0.31 N ATOM 1110 CA LYS A 74 8.015 3.338 6.911 1.00 0.35 C ATOM 1111 C LYS A 74 7.264 3.865 5.693 1.00 0.38 C ATOM 1112 O LYS A 74 6.417 4.748 5.810 1.00 0.44 O ATOM 1113 CB LYS A 74 9.132 4.311 7.298 1.00 0.38 C ATOM 1114 CG LYS A 74 10.292 4.339 6.318 1.00 0.43 C ATOM 1115 CD LYS A 74 11.391 5.294 6.764 1.00 0.48 C ATOM 1116 CE LYS A 74 12.143 4.767 7.978 1.00 1.38 C ATOM 1117 NZ LYS A 74 11.438 5.076 9.254 1.00 2.11 N ATOM 0 H LYS A 74 9.574 1.959 6.599 1.00 0.31 H new ATOM 0 HA LYS A 74 7.309 3.260 7.738 1.00 0.35 H new ATOM 0 HB2 LYS A 74 8.714 5.314 7.380 1.00 0.38 H new ATOM 0 HB3 LYS A 74 9.509 4.042 8.285 1.00 0.38 H new ATOM 0 HG2 LYS A 74 10.704 3.335 6.214 1.00 0.43 H new ATOM 0 HG3 LYS A 74 9.929 4.638 5.335 1.00 0.43 H new ATOM 0 HD2 LYS A 74 12.091 5.451 5.943 1.00 0.48 H new ATOM 0 HD3 LYS A 74 10.955 6.265 7.000 1.00 0.48 H new ATOM 0 HE2 LYS A 74 12.268 3.688 7.886 1.00 1.38 H new ATOM 0 HE3 LYS A 74 13.142 5.203 8.002 1.00 1.38 H new ATOM 0 HZ1 LYS A 74 12.097 5.539 9.912 1.00 2.11 H new ATOM 0 HZ2 LYS A 74 10.637 5.711 9.063 1.00 2.11 H new ATOM 0 HZ3 LYS A 74 11.087 4.194 9.679 1.00 2.11 H new ATOM 1131 N GLN A 75 7.583 3.323 4.522 1.00 0.36 N ATOM 1132 CA GLN A 75 6.933 3.746 3.289 1.00 0.42 C ATOM 1133 C GLN A 75 5.489 3.264 3.250 1.00 0.51 C ATOM 1134 O GLN A 75 4.673 3.778 2.485 1.00 0.63 O ATOM 1135 CB GLN A 75 7.695 3.218 2.071 1.00 0.43 C ATOM 1136 CG GLN A 75 8.965 3.994 1.757 1.00 0.69 C ATOM 1137 CD GLN A 75 8.687 5.367 1.172 1.00 0.90 C ATOM 1138 OE1 GLN A 75 7.674 5.996 1.480 1.00 1.48 O ATOM 1139 NE2 GLN A 75 9.588 5.839 0.319 1.00 0.80 N ATOM 0 H GLN A 75 8.285 2.593 4.402 1.00 0.36 H new ATOM 0 HA GLN A 75 6.938 4.836 3.260 1.00 0.42 H new ATOM 0 HB2 GLN A 75 7.952 2.172 2.240 1.00 0.43 H new ATOM 0 HB3 GLN A 75 7.038 3.248 1.202 1.00 0.43 H new ATOM 0 HG2 GLN A 75 9.552 4.105 2.669 1.00 0.69 H new ATOM 0 HG3 GLN A 75 9.571 3.421 1.055 1.00 0.69 H new ATOM 0 HE21 GLN A 75 10.414 5.285 0.091 1.00 0.80 H new ATOM 0 HE22 GLN A 75 9.455 6.755 -0.108 1.00 0.80 H new ATOM 1148 N MET A 76 5.184 2.269 4.076 1.00 0.49 N ATOM 1149 CA MET A 76 3.838 1.717 4.144 1.00 0.59 C ATOM 1150 C MET A 76 2.910 2.631 4.941 1.00 0.75 C ATOM 1151 O MET A 76 2.031 2.160 5.663 1.00 1.15 O ATOM 1152 CB MET A 76 3.869 0.325 4.776 1.00 0.57 C ATOM 1153 CG MET A 76 4.546 -0.719 3.905 1.00 0.63 C ATOM 1154 SD MET A 76 4.180 -2.405 4.429 1.00 0.96 S ATOM 1155 CE MET A 76 4.984 -3.340 3.130 1.00 0.68 C ATOM 0 H MET A 76 5.852 1.829 4.708 1.00 0.49 H new ATOM 0 HA MET A 76 3.453 1.640 3.127 1.00 0.59 H new ATOM 0 HB2 MET A 76 4.388 0.380 5.733 1.00 0.57 H new ATOM 0 HB3 MET A 76 2.848 0.006 4.985 1.00 0.57 H new ATOM 0 HG2 MET A 76 4.226 -0.587 2.871 1.00 0.63 H new ATOM 0 HG3 MET A 76 5.624 -0.562 3.928 1.00 0.63 H new ATOM 0 HE1 MET A 76 5.415 -4.249 3.549 1.00 0.68 H new ATOM 0 HE2 MET A 76 4.253 -3.604 2.366 1.00 0.68 H new ATOM 0 HE3 MET A 76 5.774 -2.737 2.683 1.00 0.68 H new ATOM 1165 N ARG A 77 3.108 3.941 4.798 1.00 1.01 N ATOM 1166 CA ARG A 77 2.292 4.920 5.504 1.00 1.21 C ATOM 1167 C ARG A 77 2.624 6.341 5.047 1.00 1.56 C ATOM 1168 O ARG A 77 1.728 7.124 4.732 1.00 1.86 O ATOM 1169 CB ARG A 77 2.483 4.783 7.023 1.00 1.28 C ATOM 1170 CG ARG A 77 3.888 5.102 7.507 1.00 1.81 C ATOM 1171 CD ARG A 77 4.024 4.877 9.005 1.00 2.26 C ATOM 1172 NE ARG A 77 5.379 5.151 9.478 1.00 2.93 N ATOM 1173 CZ ARG A 77 5.791 4.907 10.718 1.00 3.56 C ATOM 1174 NH1 ARG A 77 4.957 4.386 11.607 1.00 3.66 N ATOM 1175 NH2 ARG A 77 7.039 5.185 11.069 1.00 4.44 N ATOM 0 H ARG A 77 3.827 4.346 4.199 1.00 1.01 H new ATOM 0 HA ARG A 77 1.246 4.725 5.266 1.00 1.21 H new ATOM 0 HB2 ARG A 77 1.778 5.444 7.527 1.00 1.28 H new ATOM 0 HB3 ARG A 77 2.232 3.764 7.319 1.00 1.28 H new ATOM 0 HG2 ARG A 77 4.607 4.478 6.977 1.00 1.81 H new ATOM 0 HG3 ARG A 77 4.130 6.138 7.270 1.00 1.81 H new ATOM 0 HD2 ARG A 77 3.319 5.518 9.534 1.00 2.26 H new ATOM 0 HD3 ARG A 77 3.758 3.847 9.243 1.00 2.26 H new ATOM 0 HE ARG A 77 6.047 5.552 8.819 1.00 2.93 H new ATOM 0 HH11 ARG A 77 3.996 4.171 11.340 1.00 3.66 H new ATOM 0 HH12 ARG A 77 5.276 4.200 12.558 1.00 3.66 H new ATOM 0 HH21 ARG A 77 7.683 5.586 10.387 1.00 4.44 H new ATOM 0 HH22 ARG A 77 7.355 4.998 12.021 1.00 4.44 H new ATOM 1189 N GLU A 78 3.918 6.659 5.004 1.00 1.79 N ATOM 1190 CA GLU A 78 4.389 7.981 4.586 1.00 2.41 C ATOM 1191 C GLU A 78 3.747 9.110 5.394 1.00 3.29 C ATOM 1192 O GLU A 78 3.992 10.285 5.124 1.00 3.87 O ATOM 1193 CB GLU A 78 4.119 8.195 3.097 1.00 2.38 C ATOM 1194 CG GLU A 78 4.911 7.259 2.201 1.00 2.16 C ATOM 1195 CD GLU A 78 4.737 7.577 0.729 1.00 2.80 C ATOM 1196 OE1 GLU A 78 5.370 8.542 0.251 1.00 3.27 O ATOM 1197 OE2 GLU A 78 3.967 6.863 0.054 1.00 3.22 O ATOM 0 H GLU A 78 4.666 6.013 5.256 1.00 1.79 H new ATOM 0 HA GLU A 78 5.462 8.010 4.774 1.00 2.41 H new ATOM 0 HB2 GLU A 78 3.055 8.057 2.905 1.00 2.38 H new ATOM 0 HB3 GLU A 78 4.359 9.226 2.836 1.00 2.38 H new ATOM 0 HG2 GLU A 78 5.968 7.321 2.460 1.00 2.16 H new ATOM 0 HG3 GLU A 78 4.597 6.232 2.387 1.00 2.16 H new ATOM 1204 N THR A 79 2.931 8.756 6.381 1.00 3.77 N ATOM 1205 CA THR A 79 2.264 9.749 7.212 1.00 4.81 C ATOM 1206 C THR A 79 3.185 10.257 8.315 1.00 5.38 C ATOM 1207 O THR A 79 2.798 11.113 9.110 1.00 6.26 O ATOM 1208 CB THR A 79 0.986 9.174 7.851 1.00 5.61 C ATOM 1209 OG1 THR A 79 0.314 10.189 8.608 1.00 6.33 O ATOM 1210 CG2 THR A 79 1.315 7.996 8.757 1.00 6.12 C ATOM 0 H THR A 79 2.716 7.789 6.624 1.00 3.77 H new ATOM 0 HA THR A 79 1.997 10.579 6.558 1.00 4.81 H new ATOM 0 HB THR A 79 0.334 8.826 7.050 1.00 5.61 H new ATOM 0 HG1 THR A 79 0.955 10.884 8.865 1.00 6.33 H new ATOM 0 HG21 THR A 79 0.396 7.607 9.196 1.00 6.12 H new ATOM 0 HG22 THR A 79 1.798 7.212 8.174 1.00 6.12 H new ATOM 0 HG23 THR A 79 1.986 8.324 9.551 1.00 6.12 H new ATOM 1218 N ASP A 80 4.409 9.731 8.346 1.00 5.21 N ATOM 1219 CA ASP A 80 5.387 10.116 9.361 1.00 6.18 C ATOM 1220 C ASP A 80 4.801 9.958 10.763 1.00 7.07 C ATOM 1221 O ASP A 80 4.885 8.881 11.347 1.00 7.91 O ATOM 1222 CB ASP A 80 5.862 11.554 9.139 1.00 6.70 C ATOM 1223 CG ASP A 80 6.492 11.752 7.774 1.00 6.31 C ATOM 1224 OD1 ASP A 80 7.714 11.526 7.646 1.00 6.26 O ATOM 1225 OD2 ASP A 80 5.763 12.132 6.833 1.00 6.38 O ATOM 0 H ASP A 80 4.746 9.037 7.679 1.00 5.21 H new ATOM 0 HA ASP A 80 6.247 9.453 9.271 1.00 6.18 H new ATOM 0 HB2 ASP A 80 5.017 12.234 9.248 1.00 6.70 H new ATOM 0 HB3 ASP A 80 6.585 11.818 9.911 1.00 6.70 H new ATOM 1230 N THR A 81 4.192 11.033 11.278 1.00 7.15 N ATOM 1231 CA THR A 81 3.576 11.045 12.612 1.00 8.23 C ATOM 1232 C THR A 81 4.462 10.445 13.695 1.00 9.23 C ATOM 1233 O THR A 81 4.994 11.173 14.527 1.00 9.95 O ATOM 1234 CB THR A 81 2.212 10.340 12.632 1.00 8.38 C ATOM 1235 OG1 THR A 81 2.154 9.321 11.628 1.00 7.82 O ATOM 1236 CG2 THR A 81 1.107 11.355 12.417 1.00 8.29 C ATOM 0 H THR A 81 4.112 11.920 10.782 1.00 7.15 H new ATOM 0 HA THR A 81 3.437 12.102 12.837 1.00 8.23 H new ATOM 0 HB THR A 81 2.077 9.866 13.604 1.00 8.38 H new ATOM 0 HG1 THR A 81 1.278 8.882 11.657 1.00 7.82 H new ATOM 0 HG21 THR A 81 0.141 10.850 12.432 1.00 8.29 H new ATOM 0 HG22 THR A 81 1.139 12.101 13.211 1.00 8.29 H new ATOM 0 HG23 THR A 81 1.245 11.845 11.453 1.00 8.29 H new ATOM 1244 N GLU A 82 4.618 9.126 13.694 1.00 9.45 N ATOM 1245 CA GLU A 82 5.443 8.470 14.696 1.00 10.56 C ATOM 1246 C GLU A 82 6.850 9.046 14.670 1.00 10.71 C ATOM 1247 O GLU A 82 7.565 9.000 15.665 1.00 11.73 O ATOM 1248 CB GLU A 82 5.478 6.956 14.482 1.00 10.89 C ATOM 1249 CG GLU A 82 4.293 6.225 15.090 1.00 11.44 C ATOM 1250 CD GLU A 82 2.965 6.692 14.527 1.00 10.69 C ATOM 1251 OE1 GLU A 82 2.409 7.678 15.055 1.00 10.45 O ATOM 1252 OE2 GLU A 82 2.481 6.072 13.556 1.00 10.52 O ATOM 0 H GLU A 82 4.188 8.497 13.016 1.00 9.45 H new ATOM 0 HA GLU A 82 5.002 8.655 15.675 1.00 10.56 H new ATOM 0 HB2 GLU A 82 5.510 6.750 13.412 1.00 10.89 H new ATOM 0 HB3 GLU A 82 6.398 6.559 14.911 1.00 10.89 H new ATOM 0 HG2 GLU A 82 4.402 5.155 14.913 1.00 11.44 H new ATOM 0 HG3 GLU A 82 4.297 6.371 16.170 1.00 11.44 H new ATOM 1259 N GLU A 83 7.249 9.588 13.528 1.00 9.86 N ATOM 1260 CA GLU A 83 8.564 10.195 13.411 1.00 10.23 C ATOM 1261 C GLU A 83 8.675 11.376 14.372 1.00 10.94 C ATOM 1262 O GLU A 83 9.550 11.413 15.238 1.00 12.03 O ATOM 1263 CB GLU A 83 8.792 10.675 11.977 1.00 9.26 C ATOM 1264 CG GLU A 83 10.159 11.303 11.755 1.00 9.89 C ATOM 1265 CD GLU A 83 10.330 11.841 10.349 1.00 10.21 C ATOM 1266 OE1 GLU A 83 10.762 11.072 9.466 1.00 10.36 O ATOM 1267 OE2 GLU A 83 10.031 13.035 10.130 1.00 10.48 O ATOM 0 H GLU A 83 6.686 9.619 12.678 1.00 9.86 H new ATOM 0 HA GLU A 83 9.321 9.453 13.663 1.00 10.23 H new ATOM 0 HB2 GLU A 83 8.675 9.831 11.297 1.00 9.26 H new ATOM 0 HB3 GLU A 83 8.021 11.402 11.719 1.00 9.26 H new ATOM 0 HG2 GLU A 83 10.304 12.113 12.470 1.00 9.89 H new ATOM 0 HG3 GLU A 83 10.932 10.561 11.953 1.00 9.89 H new ATOM 1274 N GLU A 84 7.764 12.331 14.210 1.00 10.48 N ATOM 1275 CA GLU A 84 7.722 13.520 15.054 1.00 11.32 C ATOM 1276 C GLU A 84 7.329 13.183 16.490 1.00 12.38 C ATOM 1277 O GLU A 84 7.868 13.751 17.440 1.00 13.44 O ATOM 1278 CB GLU A 84 6.718 14.522 14.481 1.00 10.78 C ATOM 1279 CG GLU A 84 7.045 14.973 13.067 1.00 11.09 C ATOM 1280 CD GLU A 84 5.993 15.901 12.492 1.00 11.33 C ATOM 1281 OE1 GLU A 84 6.068 17.120 12.758 1.00 11.29 O ATOM 1282 OE2 GLU A 84 5.095 15.410 11.776 1.00 11.72 O ATOM 0 H GLU A 84 7.038 12.303 13.494 1.00 10.48 H new ATOM 0 HA GLU A 84 8.723 13.951 15.068 1.00 11.32 H new ATOM 0 HB2 GLU A 84 5.725 14.073 14.489 1.00 10.78 H new ATOM 0 HB3 GLU A 84 6.678 15.396 15.132 1.00 10.78 H new ATOM 0 HG2 GLU A 84 8.010 15.479 13.065 1.00 11.09 H new ATOM 0 HG3 GLU A 84 7.143 14.098 12.424 1.00 11.09 H new ATOM 1289 N MET A 85 6.389 12.251 16.641 1.00 12.20 N ATOM 1290 CA MET A 85 5.903 11.858 17.955 1.00 13.28 C ATOM 1291 C MET A 85 6.991 11.160 18.769 1.00 14.20 C ATOM 1292 O MET A 85 7.299 11.577 19.884 1.00 15.28 O ATOM 1293 CB MET A 85 4.690 10.943 17.801 1.00 13.04 C ATOM 1294 CG MET A 85 3.622 11.154 18.859 1.00 14.20 C ATOM 1295 SD MET A 85 2.881 12.798 18.770 1.00 15.12 S ATOM 1296 CE MET A 85 1.278 12.500 19.515 1.00 16.29 C ATOM 0 H MET A 85 5.950 11.755 15.865 1.00 12.20 H new ATOM 0 HA MET A 85 5.614 12.760 18.495 1.00 13.28 H new ATOM 0 HB2 MET A 85 4.249 11.103 16.817 1.00 13.04 H new ATOM 0 HB3 MET A 85 5.023 9.906 17.837 1.00 13.04 H new ATOM 0 HG2 MET A 85 2.843 10.401 18.741 1.00 14.20 H new ATOM 0 HG3 MET A 85 4.059 11.008 19.847 1.00 14.20 H new ATOM 0 HE1 MET A 85 0.784 13.452 19.709 1.00 16.29 H new ATOM 0 HE2 MET A 85 0.666 11.905 18.837 1.00 16.29 H new ATOM 0 HE3 MET A 85 1.408 11.961 20.454 1.00 16.29 H new ATOM 1306 N ARG A 86 7.568 10.100 18.210 1.00 13.88 N ATOM 1307 CA ARG A 86 8.619 9.354 18.891 1.00 14.84 C ATOM 1308 C ARG A 86 9.819 10.245 19.188 1.00 15.43 C ATOM 1309 O ARG A 86 10.525 10.040 20.174 1.00 16.55 O ATOM 1310 CB ARG A 86 9.058 8.160 18.043 1.00 14.45 C ATOM 1311 CG ARG A 86 7.967 7.121 17.841 1.00 14.20 C ATOM 1312 CD ARG A 86 8.485 5.905 17.090 1.00 14.13 C ATOM 1313 NE ARG A 86 9.082 6.266 15.807 1.00 14.82 N ATOM 1314 CZ ARG A 86 9.500 5.376 14.910 1.00 15.11 C ATOM 1315 NH1 ARG A 86 9.382 4.078 15.154 1.00 14.78 N ATOM 1316 NH2 ARG A 86 10.036 5.785 13.769 1.00 15.88 N ATOM 0 H ARG A 86 7.325 9.739 17.287 1.00 13.88 H new ATOM 0 HA ARG A 86 8.215 8.993 19.837 1.00 14.84 H new ATOM 0 HB2 ARG A 86 9.390 8.520 17.069 1.00 14.45 H new ATOM 0 HB3 ARG A 86 9.917 7.685 18.517 1.00 14.45 H new ATOM 0 HG2 ARG A 86 7.575 6.811 18.810 1.00 14.20 H new ATOM 0 HG3 ARG A 86 7.139 7.565 17.289 1.00 14.20 H new ATOM 0 HD2 ARG A 86 9.225 5.390 17.702 1.00 14.13 H new ATOM 0 HD3 ARG A 86 7.666 5.205 16.924 1.00 14.13 H new ATOM 0 HE ARG A 86 9.184 7.256 15.586 1.00 14.82 H new ATOM 0 HH11 ARG A 86 8.970 3.759 16.031 1.00 14.78 H new ATOM 0 HH12 ARG A 86 9.703 3.398 14.465 1.00 14.78 H new ATOM 0 HH21 ARG A 86 10.128 6.783 13.578 1.00 15.88 H new ATOM 0 HH22 ARG A 86 10.356 5.102 13.082 1.00 15.88 H new ATOM 1330 N GLU A 87 10.041 11.238 18.334 1.00 14.77 N ATOM 1331 CA GLU A 87 11.157 12.157 18.511 1.00 15.43 C ATOM 1332 C GLU A 87 10.973 12.976 19.779 1.00 16.43 C ATOM 1333 O GLU A 87 11.909 13.152 20.557 1.00 17.50 O ATOM 1334 CB GLU A 87 11.281 13.088 17.307 1.00 14.60 C ATOM 1335 CG GLU A 87 12.626 13.785 17.215 1.00 15.22 C ATOM 1336 CD GLU A 87 12.730 14.693 16.005 1.00 14.94 C ATOM 1337 OE1 GLU A 87 13.151 14.208 14.934 1.00 14.72 O ATOM 1338 OE2 GLU A 87 12.390 15.889 16.129 1.00 15.08 O ATOM 0 H GLU A 87 9.464 11.426 17.514 1.00 14.77 H new ATOM 0 HA GLU A 87 12.071 11.570 18.597 1.00 15.43 H new ATOM 0 HB2 GLU A 87 11.115 12.514 16.395 1.00 14.60 H new ATOM 0 HB3 GLU A 87 10.494 13.840 17.357 1.00 14.60 H new ATOM 0 HG2 GLU A 87 12.790 14.371 18.119 1.00 15.22 H new ATOM 0 HG3 GLU A 87 13.417 13.036 17.172 1.00 15.22 H new ATOM 1345 N ALA A 88 9.750 13.445 19.998 1.00 16.17 N ATOM 1346 CA ALA A 88 9.443 14.250 21.171 1.00 17.18 C ATOM 1347 C ALA A 88 9.414 13.377 22.414 1.00 18.20 C ATOM 1348 O ALA A 88 9.946 13.754 23.459 1.00 19.32 O ATOM 1349 CB ALA A 88 8.123 14.983 20.992 1.00 16.77 C ATOM 0 H ALA A 88 8.956 13.281 19.378 1.00 16.17 H new ATOM 0 HA ALA A 88 10.226 14.998 21.293 1.00 17.18 H new ATOM 0 HB1 ALA A 88 7.914 15.578 21.881 1.00 16.77 H new ATOM 0 HB2 ALA A 88 8.186 15.638 20.123 1.00 16.77 H new ATOM 0 HB3 ALA A 88 7.322 14.259 20.844 1.00 16.77 H new ATOM 1355 N PHE A 89 8.794 12.206 22.297 1.00 17.88 N ATOM 1356 CA PHE A 89 8.721 11.276 23.413 1.00 18.88 C ATOM 1357 C PHE A 89 10.115 11.036 23.980 1.00 19.75 C ATOM 1358 O PHE A 89 10.302 11.010 25.192 1.00 20.90 O ATOM 1359 CB PHE A 89 8.097 9.947 22.979 1.00 18.44 C ATOM 1360 CG PHE A 89 8.242 8.862 24.009 1.00 19.53 C ATOM 1361 CD1 PHE A 89 7.422 8.832 25.125 1.00 20.04 C ATOM 1362 CD2 PHE A 89 9.194 7.870 23.854 1.00 20.12 C ATOM 1363 CE1 PHE A 89 7.552 7.829 26.067 1.00 21.09 C ATOM 1364 CE2 PHE A 89 9.327 6.867 24.791 1.00 21.19 C ATOM 1365 CZ PHE A 89 8.513 6.870 25.923 1.00 21.66 C ATOM 0 H PHE A 89 8.338 11.882 21.444 1.00 17.88 H new ATOM 0 HA PHE A 89 8.088 11.715 24.184 1.00 18.88 H new ATOM 0 HB2 PHE A 89 7.039 10.101 22.769 1.00 18.44 H new ATOM 0 HB3 PHE A 89 8.562 9.621 22.049 1.00 18.44 H new ATOM 0 HD1 PHE A 89 6.674 9.599 25.260 1.00 20.04 H new ATOM 0 HD2 PHE A 89 9.841 7.881 22.989 1.00 20.12 H new ATOM 0 HE1 PHE A 89 6.891 7.804 26.920 1.00 21.09 H new ATOM 0 HE2 PHE A 89 10.057 6.084 24.649 1.00 21.19 H new ATOM 0 HZ PHE A 89 8.642 6.115 26.684 1.00 21.66 H new ATOM 1375 N LYS A 90 11.084 10.852 23.085 1.00 19.26 N ATOM 1376 CA LYS A 90 12.469 10.624 23.487 1.00 20.11 C ATOM 1377 C LYS A 90 13.042 11.843 24.203 1.00 20.94 C ATOM 1378 O LYS A 90 13.768 11.710 25.195 1.00 22.05 O ATOM 1379 CB LYS A 90 13.334 10.295 22.270 1.00 19.45 C ATOM 1380 CG LYS A 90 13.033 8.941 21.653 1.00 18.94 C ATOM 1381 CD LYS A 90 13.989 8.623 20.512 1.00 18.35 C ATOM 1382 CE LYS A 90 13.624 9.369 19.237 1.00 17.84 C ATOM 1383 NZ LYS A 90 14.026 10.801 19.290 1.00 18.07 N ATOM 0 H LYS A 90 10.934 10.857 22.076 1.00 19.26 H new ATOM 0 HA LYS A 90 12.477 9.778 24.175 1.00 20.11 H new ATOM 0 HB2 LYS A 90 13.191 11.068 21.515 1.00 19.45 H new ATOM 0 HB3 LYS A 90 14.383 10.325 22.563 1.00 19.45 H new ATOM 0 HG2 LYS A 90 13.107 8.167 22.417 1.00 18.94 H new ATOM 0 HG3 LYS A 90 12.007 8.928 21.284 1.00 18.94 H new ATOM 0 HD2 LYS A 90 15.005 8.885 20.807 1.00 18.35 H new ATOM 0 HD3 LYS A 90 13.980 7.550 20.320 1.00 18.35 H new ATOM 0 HE2 LYS A 90 14.107 8.889 18.386 1.00 17.84 H new ATOM 0 HE3 LYS A 90 12.549 9.301 19.073 1.00 17.84 H new ATOM 0 HZ1 LYS A 90 14.177 11.155 18.324 1.00 18.07 H new ATOM 0 HZ2 LYS A 90 13.275 11.356 19.749 1.00 18.07 H new ATOM 0 HZ3 LYS A 90 14.907 10.894 19.834 1.00 18.07 H new ATOM 1397 N ILE A 91 12.698 13.034 23.711 1.00 20.46 N ATOM 1398 CA ILE A 91 13.193 14.270 24.308 1.00 21.30 C ATOM 1399 C ILE A 91 12.938 14.261 25.805 1.00 22.45 C ATOM 1400 O ILE A 91 13.831 14.561 26.598 1.00 23.52 O ATOM 1401 CB ILE A 91 12.549 15.518 23.673 1.00 20.67 C ATOM 1402 CG1 ILE A 91 12.828 15.534 22.171 1.00 19.54 C ATOM 1403 CG2 ILE A 91 13.073 16.787 24.334 1.00 21.70 C ATOM 1404 CD1 ILE A 91 12.128 16.652 21.423 1.00 18.86 C ATOM 0 H ILE A 91 12.084 13.166 22.908 1.00 20.46 H new ATOM 0 HA ILE A 91 14.265 14.320 24.117 1.00 21.30 H new ATOM 0 HB ILE A 91 11.471 15.480 23.830 1.00 20.67 H new ATOM 0 HG12 ILE A 91 13.903 15.623 22.013 1.00 19.54 H new ATOM 0 HG13 ILE A 91 12.521 14.579 21.745 1.00 19.54 H new ATOM 0 HG21 ILE A 91 12.607 17.657 23.872 1.00 21.70 H new ATOM 0 HG22 ILE A 91 12.834 16.769 25.397 1.00 21.70 H new ATOM 0 HG23 ILE A 91 14.154 16.844 24.206 1.00 21.70 H new ATOM 0 HD11 ILE A 91 12.378 16.593 20.364 1.00 18.86 H new ATOM 0 HD12 ILE A 91 11.050 16.554 21.548 1.00 18.86 H new ATOM 0 HD13 ILE A 91 12.453 17.614 21.819 1.00 18.86 H new ATOM 1416 N PHE A 92 11.718 13.916 26.190 1.00 22.30 N ATOM 1417 CA PHE A 92 11.376 13.836 27.599 1.00 23.42 C ATOM 1418 C PHE A 92 11.925 12.540 28.182 1.00 24.20 C ATOM 1419 O PHE A 92 12.338 12.497 29.333 1.00 25.36 O ATOM 1420 CB PHE A 92 9.864 13.891 27.801 1.00 23.12 C ATOM 1421 CG PHE A 92 9.185 14.976 27.012 1.00 22.46 C ATOM 1422 CD1 PHE A 92 9.228 16.290 27.447 1.00 22.15 C ATOM 1423 CD2 PHE A 92 8.504 14.684 25.842 1.00 22.24 C ATOM 1424 CE1 PHE A 92 8.606 17.294 26.730 1.00 21.64 C ATOM 1425 CE2 PHE A 92 7.879 15.683 25.120 1.00 21.74 C ATOM 1426 CZ PHE A 92 7.931 16.991 25.565 1.00 21.45 C ATOM 0 H PHE A 92 10.956 13.689 25.551 1.00 22.30 H new ATOM 0 HA PHE A 92 11.820 14.690 28.111 1.00 23.42 H new ATOM 0 HB2 PHE A 92 9.434 12.929 27.522 1.00 23.12 H new ATOM 0 HB3 PHE A 92 9.654 14.039 28.860 1.00 23.12 H new ATOM 0 HD1 PHE A 92 9.754 16.533 28.358 1.00 22.15 H new ATOM 0 HD2 PHE A 92 8.461 13.664 25.490 1.00 22.24 H new ATOM 0 HE1 PHE A 92 8.648 18.315 27.081 1.00 21.64 H new ATOM 0 HE2 PHE A 92 7.351 15.442 24.209 1.00 21.74 H new ATOM 0 HZ PHE A 92 7.444 17.774 25.002 1.00 21.45 H new ATOM 1436 N ASP A 93 11.938 11.488 27.364 1.00 23.63 N ATOM 1437 CA ASP A 93 12.432 10.181 27.793 1.00 24.39 C ATOM 1438 C ASP A 93 13.949 10.177 27.919 1.00 25.20 C ATOM 1439 O ASP A 93 14.544 9.119 28.054 1.00 26.19 O ATOM 1440 CB ASP A 93 11.987 9.090 26.818 1.00 23.63 C ATOM 1441 CG ASP A 93 12.261 7.695 27.349 1.00 24.48 C ATOM 1442 OD1 ASP A 93 12.332 7.535 28.586 1.00 24.81 O ATOM 1443 OD2 ASP A 93 12.404 6.762 26.527 1.00 24.88 O ATOM 0 H ASP A 93 11.611 11.516 26.398 1.00 23.63 H new ATOM 0 HA ASP A 93 12.006 9.975 28.775 1.00 24.39 H new ATOM 0 HB2 ASP A 93 10.921 9.197 26.618 1.00 23.63 H new ATOM 0 HB3 ASP A 93 12.504 9.222 25.868 1.00 23.63 H new ATOM 1448 N ARG A 94 14.536 11.375 27.821 1.00 24.82 N ATOM 1449 CA ARG A 94 15.987 11.629 27.950 1.00 25.61 C ATOM 1450 C ARG A 94 16.871 10.377 27.977 1.00 25.96 C ATOM 1451 O ARG A 94 17.832 10.280 27.213 1.00 26.03 O ATOM 1452 CB ARG A 94 16.256 12.459 29.206 1.00 26.84 C ATOM 1453 CG ARG A 94 15.691 13.868 29.139 1.00 26.72 C ATOM 1454 CD ARG A 94 16.254 14.743 30.248 1.00 27.97 C ATOM 1455 NE ARG A 94 15.809 16.129 30.128 1.00 28.57 N ATOM 1456 CZ ARG A 94 16.636 17.171 30.121 1.00 29.55 C ATOM 1457 NH1 ARG A 94 17.945 16.987 30.230 1.00 30.03 N ATOM 1458 NH2 ARG A 94 16.151 18.400 30.005 1.00 30.10 N ATOM 0 H ARG A 94 14.002 12.226 27.644 1.00 24.82 H new ATOM 0 HA ARG A 94 16.263 12.167 27.043 1.00 25.61 H new ATOM 0 HB2 ARG A 94 15.829 11.946 30.068 1.00 26.84 H new ATOM 0 HB3 ARG A 94 17.332 12.516 29.370 1.00 26.84 H new ATOM 0 HG2 ARG A 94 15.925 14.310 28.170 1.00 26.72 H new ATOM 0 HG3 ARG A 94 14.605 13.831 29.219 1.00 26.72 H new ATOM 0 HD2 ARG A 94 15.947 14.346 31.215 1.00 27.97 H new ATOM 0 HD3 ARG A 94 17.343 14.708 30.221 1.00 27.97 H new ATOM 0 HE ARG A 94 14.808 16.308 30.045 1.00 28.57 H new ATOM 0 HH11 ARG A 94 18.322 16.043 30.320 1.00 30.03 H new ATOM 0 HH12 ARG A 94 18.575 17.789 30.224 1.00 30.03 H new ATOM 0 HH21 ARG A 94 15.145 18.545 29.921 1.00 30.10 H new ATOM 0 HH22 ARG A 94 16.784 19.200 30.000 1.00 30.10 H new ATOM 1472 N ASP A 95 16.555 9.423 28.846 1.00 26.27 N ATOM 1473 CA ASP A 95 17.359 8.204 28.954 1.00 26.74 C ATOM 1474 C ASP A 95 17.158 7.311 27.731 1.00 25.70 C ATOM 1475 O ASP A 95 18.123 6.931 27.067 1.00 25.63 O ATOM 1476 CB ASP A 95 17.014 7.414 30.217 1.00 27.69 C ATOM 1477 CG ASP A 95 16.478 8.283 31.333 1.00 28.38 C ATOM 1478 OD1 ASP A 95 17.241 9.124 31.854 1.00 28.88 O ATOM 1479 OD2 ASP A 95 15.289 8.119 31.685 1.00 28.47 O ATOM 0 H ASP A 95 15.758 9.465 29.481 1.00 26.27 H new ATOM 0 HA ASP A 95 18.403 8.513 29.010 1.00 26.74 H new ATOM 0 HB2 ASP A 95 16.274 6.652 29.971 1.00 27.69 H new ATOM 0 HB3 ASP A 95 17.905 6.892 30.567 1.00 27.69 H new ATOM 1484 N GLY A 96 15.904 6.976 27.435 1.00 24.96 N ATOM 1485 CA GLY A 96 15.614 6.125 26.296 1.00 24.00 C ATOM 1486 C GLY A 96 15.271 4.709 26.712 1.00 24.47 C ATOM 1487 O GLY A 96 15.557 3.756 25.986 1.00 24.19 O ATOM 0 H GLY A 96 15.086 7.279 27.964 1.00 24.96 H new ATOM 0 HA2 GLY A 96 14.783 6.547 25.731 1.00 24.00 H new ATOM 0 HA3 GLY A 96 16.476 6.107 25.629 1.00 24.00 H new ATOM 1491 N ASP A 97 14.655 4.573 27.882 1.00 25.28 N ATOM 1492 CA ASP A 97 14.274 3.263 28.398 1.00 25.89 C ATOM 1493 C ASP A 97 12.945 2.820 27.803 1.00 25.11 C ATOM 1494 O ASP A 97 12.465 1.719 28.075 1.00 25.54 O ATOM 1495 CB ASP A 97 14.164 3.306 29.924 1.00 27.15 C ATOM 1496 CG ASP A 97 15.119 4.304 30.548 1.00 27.81 C ATOM 1497 OD1 ASP A 97 16.315 3.970 30.688 1.00 28.13 O ATOM 1498 OD2 ASP A 97 14.673 5.416 30.896 1.00 28.07 O ATOM 0 H ASP A 97 14.409 5.354 28.491 1.00 25.28 H new ATOM 0 HA ASP A 97 15.045 2.547 28.114 1.00 25.89 H new ATOM 0 HB2 ASP A 97 13.142 3.562 30.204 1.00 27.15 H new ATOM 0 HB3 ASP A 97 14.366 2.314 30.328 1.00 27.15 H new ATOM 1503 N GLY A 98 12.356 3.686 26.986 1.00 24.03 N ATOM 1504 CA GLY A 98 11.082 3.377 26.369 1.00 23.27 C ATOM 1505 C GLY A 98 9.926 3.985 27.136 1.00 23.53 C ATOM 1506 O GLY A 98 8.791 3.999 26.657 1.00 22.95 O ATOM 0 H GLY A 98 12.740 4.598 26.740 1.00 24.03 H new ATOM 0 HA2 GLY A 98 11.074 3.748 25.344 1.00 23.27 H new ATOM 0 HA3 GLY A 98 10.956 2.296 26.317 1.00 23.27 H new ATOM 1510 N PHE A 99 10.218 4.466 28.341 1.00 24.50 N ATOM 1511 CA PHE A 99 9.212 5.090 29.191 1.00 24.94 C ATOM 1512 C PHE A 99 9.787 6.264 29.987 1.00 25.47 C ATOM 1513 O PHE A 99 10.919 6.214 30.479 1.00 26.19 O ATOM 1514 CB PHE A 99 8.595 4.050 30.131 1.00 25.98 C ATOM 1515 CG PHE A 99 9.497 2.886 30.422 1.00 26.68 C ATOM 1516 CD1 PHE A 99 10.521 3.013 31.345 1.00 27.05 C ATOM 1517 CD2 PHE A 99 9.323 1.672 29.780 1.00 27.04 C ATOM 1518 CE1 PHE A 99 11.358 1.953 31.626 1.00 27.77 C ATOM 1519 CE2 PHE A 99 10.158 0.603 30.055 1.00 27.76 C ATOM 1520 CZ PHE A 99 11.155 0.717 30.940 1.00 28.11 C ATOM 0 H PHE A 99 11.151 4.434 28.752 1.00 24.50 H new ATOM 0 HA PHE A 99 8.432 5.490 28.543 1.00 24.94 H new ATOM 0 HB2 PHE A 99 8.329 4.535 31.070 1.00 25.98 H new ATOM 0 HB3 PHE A 99 7.670 3.679 29.690 1.00 25.98 H new ATOM 0 HD1 PHE A 99 10.667 3.955 31.852 1.00 27.05 H new ATOM 0 HD2 PHE A 99 8.528 1.558 29.058 1.00 27.04 H new ATOM 0 HE1 PHE A 99 12.152 2.056 32.351 1.00 27.77 H new ATOM 0 HE2 PHE A 99 10.002 -0.338 29.547 1.00 27.76 H new ATOM 0 HZ PHE A 99 11.805 -0.124 31.135 1.00 28.11 H new ATOM 1530 N ILE A 100 8.992 7.328 30.091 1.00 25.18 N ATOM 1531 CA ILE A 100 9.385 8.530 30.815 1.00 25.71 C ATOM 1532 C ILE A 100 8.880 8.508 32.255 1.00 26.98 C ATOM 1533 O ILE A 100 7.675 8.551 32.498 1.00 27.09 O ATOM 1534 CB ILE A 100 8.813 9.791 30.138 1.00 24.88 C ATOM 1535 CG1 ILE A 100 9.078 9.777 28.636 1.00 23.56 C ATOM 1536 CG2 ILE A 100 9.410 11.037 30.761 1.00 25.54 C ATOM 1537 CD1 ILE A 100 8.110 10.636 27.855 1.00 22.62 C ATOM 0 H ILE A 100 8.061 7.379 29.677 1.00 25.18 H new ATOM 0 HA ILE A 100 10.475 8.554 30.807 1.00 25.71 H new ATOM 0 HB ILE A 100 7.734 9.797 30.293 1.00 24.88 H new ATOM 0 HG12 ILE A 100 10.094 10.124 28.449 1.00 23.56 H new ATOM 0 HG13 ILE A 100 9.019 8.751 28.272 1.00 23.56 H new ATOM 0 HG21 ILE A 100 8.998 11.921 30.274 1.00 25.54 H new ATOM 0 HG22 ILE A 100 9.170 11.063 31.824 1.00 25.54 H new ATOM 0 HG23 ILE A 100 10.492 11.024 30.634 1.00 25.54 H new ATOM 0 HD11 ILE A 100 8.352 10.583 26.793 1.00 22.62 H new ATOM 0 HD12 ILE A 100 7.094 10.276 28.014 1.00 22.62 H new ATOM 0 HD13 ILE A 100 8.186 11.669 28.194 1.00 22.62 H new ATOM 1549 N SER A 101 9.804 8.447 33.207 1.00 27.98 N ATOM 1550 CA SER A 101 9.443 8.447 34.620 1.00 29.24 C ATOM 1551 C SER A 101 9.173 9.878 35.091 1.00 29.53 C ATOM 1552 O SER A 101 9.790 10.814 34.586 1.00 29.01 O ATOM 1553 CB SER A 101 10.570 7.829 35.448 1.00 30.23 C ATOM 1554 OG SER A 101 10.285 7.897 36.834 1.00 31.40 O ATOM 0 H SER A 101 10.807 8.397 33.027 1.00 27.98 H new ATOM 0 HA SER A 101 8.539 7.853 34.754 1.00 29.24 H new ATOM 0 HB2 SER A 101 10.712 6.789 35.154 1.00 30.23 H new ATOM 0 HB3 SER A 101 11.505 8.350 35.240 1.00 30.23 H new ATOM 0 HG SER A 101 11.021 7.493 37.340 1.00 31.40 H new ATOM 1560 N PRO A 102 8.240 10.071 36.051 1.00 30.40 N ATOM 1561 CA PRO A 102 7.914 11.398 36.577 1.00 30.84 C ATOM 1562 C PRO A 102 9.136 12.117 37.126 1.00 31.00 C ATOM 1563 O PRO A 102 9.383 12.149 38.332 1.00 30.80 O ATOM 1564 CB PRO A 102 6.925 11.145 37.702 1.00 32.14 C ATOM 1565 CG PRO A 102 6.924 9.669 37.937 1.00 32.10 C ATOM 1566 CD PRO A 102 7.432 9.023 36.679 1.00 31.10 C ATOM 0 HA PRO A 102 7.515 12.036 35.788 1.00 30.84 H new ATOM 0 HB2 PRO A 102 7.217 11.682 38.604 1.00 32.14 H new ATOM 0 HB3 PRO A 102 5.929 11.496 37.431 1.00 32.14 H new ATOM 0 HG2 PRO A 102 7.559 9.413 38.785 1.00 32.10 H new ATOM 0 HG3 PRO A 102 5.920 9.317 38.173 1.00 32.10 H new ATOM 0 HD2 PRO A 102 8.027 8.136 36.897 1.00 31.10 H new ATOM 0 HD3 PRO A 102 6.613 8.707 36.032 1.00 31.10 H new ATOM 1574 N ALA A 103 9.875 12.687 36.210 1.00 31.44 N ATOM 1575 CA ALA A 103 11.092 13.421 36.499 1.00 31.71 C ATOM 1576 C ALA A 103 11.683 13.947 35.198 1.00 30.52 C ATOM 1577 O ALA A 103 12.097 15.099 35.107 1.00 30.50 O ATOM 1578 CB ALA A 103 12.086 12.522 37.207 1.00 32.55 C ATOM 0 H ALA A 103 9.647 12.656 35.216 1.00 31.44 H new ATOM 0 HA ALA A 103 10.863 14.262 37.154 1.00 31.71 H new ATOM 0 HB1 ALA A 103 12.996 13.083 37.420 1.00 32.55 H new ATOM 0 HB2 ALA A 103 11.653 12.166 38.142 1.00 32.55 H new ATOM 0 HB3 ALA A 103 12.325 11.671 36.570 1.00 32.55 H new ATOM 1584 N GLU A 104 11.709 13.074 34.194 1.00 29.57 N ATOM 1585 CA GLU A 104 12.219 13.416 32.871 1.00 28.37 C ATOM 1586 C GLU A 104 11.216 14.300 32.134 1.00 27.59 C ATOM 1587 O GLU A 104 11.570 15.355 31.599 1.00 27.15 O ATOM 1588 CB GLU A 104 12.473 12.141 32.076 1.00 27.67 C ATOM 1589 CG GLU A 104 13.094 11.019 32.888 1.00 28.56 C ATOM 1590 CD GLU A 104 13.085 9.699 32.142 1.00 28.05 C ATOM 1591 OE1 GLU A 104 13.367 9.705 30.925 1.00 28.09 O ATOM 1592 OE2 GLU A 104 12.790 8.661 32.771 1.00 27.67 O ATOM 0 H GLU A 104 11.378 12.113 34.275 1.00 29.57 H new ATOM 0 HA GLU A 104 13.155 13.964 32.980 1.00 28.37 H new ATOM 0 HB2 GLU A 104 11.529 11.793 31.657 1.00 27.67 H new ATOM 0 HB3 GLU A 104 13.128 12.373 31.236 1.00 27.67 H new ATOM 0 HG2 GLU A 104 14.120 11.283 33.144 1.00 28.56 H new ATOM 0 HG3 GLU A 104 12.550 10.908 33.826 1.00 28.56 H new ATOM 1599 N LEU A 105 9.956 13.869 32.132 1.00 27.51 N ATOM 1600 CA LEU A 105 8.891 14.607 31.467 1.00 26.86 C ATOM 1601 C LEU A 105 8.711 15.973 32.118 1.00 27.51 C ATOM 1602 O LEU A 105 8.615 16.993 31.435 1.00 26.94 O ATOM 1603 CB LEU A 105 7.575 13.817 31.538 1.00 26.95 C ATOM 1604 CG LEU A 105 6.395 14.411 30.755 1.00 26.49 C ATOM 1605 CD1 LEU A 105 6.805 14.768 29.338 1.00 25.10 C ATOM 1606 CD2 LEU A 105 5.228 13.437 30.727 1.00 26.84 C ATOM 0 H LEU A 105 9.650 13.009 32.586 1.00 27.51 H new ATOM 0 HA LEU A 105 9.165 14.747 30.421 1.00 26.86 H new ATOM 0 HB2 LEU A 105 7.759 12.808 31.170 1.00 26.95 H new ATOM 0 HB3 LEU A 105 7.283 13.727 32.584 1.00 26.95 H new ATOM 0 HG LEU A 105 6.083 15.323 31.264 1.00 26.49 H new ATOM 0 HD11 LEU A 105 5.950 15.186 28.806 1.00 25.10 H new ATOM 0 HD12 LEU A 105 7.610 15.503 29.366 1.00 25.10 H new ATOM 0 HD13 LEU A 105 7.150 13.872 28.822 1.00 25.10 H new ATOM 0 HD21 LEU A 105 4.401 13.875 30.168 1.00 26.84 H new ATOM 0 HD22 LEU A 105 5.540 12.510 30.247 1.00 26.84 H new ATOM 0 HD23 LEU A 105 4.905 13.227 31.747 1.00 26.84 H new ATOM 1618 N ARG A 106 8.665 15.980 33.446 1.00 28.76 N ATOM 1619 CA ARG A 106 8.488 17.213 34.205 1.00 29.56 C ATOM 1620 C ARG A 106 9.659 18.163 34.004 1.00 29.58 C ATOM 1621 O ARG A 106 9.480 19.321 33.646 1.00 29.39 O ATOM 1622 CB ARG A 106 8.330 16.909 35.696 1.00 30.94 C ATOM 1623 CG ARG A 106 7.648 15.583 35.995 1.00 31.13 C ATOM 1624 CD ARG A 106 6.456 15.314 35.087 1.00 32.40 C ATOM 1625 NE ARG A 106 6.524 13.989 34.486 1.00 32.96 N ATOM 1626 CZ ARG A 106 5.476 13.354 33.978 1.00 33.97 C ATOM 1627 NH1 ARG A 106 4.266 13.890 34.051 1.00 34.53 N ATOM 1628 NH2 ARG A 106 5.638 12.173 33.395 1.00 34.47 N ATOM 0 H ARG A 106 8.748 15.142 34.021 1.00 28.76 H new ATOM 0 HA ARG A 106 7.583 17.695 33.835 1.00 29.56 H new ATOM 0 HB2 ARG A 106 9.316 16.911 36.162 1.00 30.94 H new ATOM 0 HB3 ARG A 106 7.757 17.712 36.160 1.00 30.94 H new ATOM 0 HG2 ARG A 106 8.371 14.775 35.886 1.00 31.13 H new ATOM 0 HG3 ARG A 106 7.317 15.576 37.033 1.00 31.13 H new ATOM 0 HD2 ARG A 106 5.534 15.406 35.660 1.00 32.40 H new ATOM 0 HD3 ARG A 106 6.420 16.068 34.301 1.00 32.40 H new ATOM 0 HE ARG A 106 7.430 13.522 34.454 1.00 32.96 H new ATOM 0 HH11 ARG A 106 4.136 14.797 34.500 1.00 34.53 H new ATOM 0 HH12 ARG A 106 3.465 13.396 33.658 1.00 34.53 H new ATOM 0 HH21 ARG A 106 6.567 11.755 33.338 1.00 34.47 H new ATOM 0 HH22 ARG A 106 4.834 11.683 33.004 1.00 34.47 H new ATOM 1642 N PHE A 107 10.857 17.653 34.238 1.00 29.92 N ATOM 1643 CA PHE A 107 12.082 18.443 34.114 1.00 30.13 C ATOM 1644 C PHE A 107 12.161 19.169 32.776 1.00 29.04 C ATOM 1645 O PHE A 107 12.717 20.262 32.697 1.00 29.31 O ATOM 1646 CB PHE A 107 13.311 17.551 34.293 1.00 30.44 C ATOM 1647 CG PHE A 107 14.617 18.284 34.168 1.00 30.81 C ATOM 1648 CD1 PHE A 107 14.870 19.407 34.939 1.00 30.89 C ATOM 1649 CD2 PHE A 107 15.591 17.853 33.280 1.00 31.17 C ATOM 1650 CE1 PHE A 107 16.067 20.087 34.827 1.00 31.32 C ATOM 1651 CE2 PHE A 107 16.790 18.530 33.163 1.00 31.59 C ATOM 1652 CZ PHE A 107 17.037 19.633 33.934 1.00 31.68 C ATOM 0 H PHE A 107 11.013 16.685 34.518 1.00 29.92 H new ATOM 0 HA PHE A 107 12.061 19.197 34.901 1.00 30.13 H new ATOM 0 HB2 PHE A 107 13.264 17.076 35.273 1.00 30.44 H new ATOM 0 HB3 PHE A 107 13.280 16.753 33.551 1.00 30.44 H new ATOM 0 HD1 PHE A 107 14.122 19.755 35.636 1.00 30.89 H new ATOM 0 HD2 PHE A 107 15.410 16.978 32.673 1.00 31.17 H new ATOM 0 HE1 PHE A 107 16.251 20.965 35.428 1.00 31.32 H new ATOM 0 HE2 PHE A 107 17.535 18.187 32.460 1.00 31.59 H new ATOM 0 HZ PHE A 107 17.981 20.151 33.851 1.00 31.68 H new ATOM 1662 N VAL A 108 11.605 18.572 31.729 1.00 27.85 N ATOM 1663 CA VAL A 108 11.645 19.191 30.410 1.00 26.77 C ATOM 1664 C VAL A 108 10.516 20.205 30.232 1.00 26.50 C ATOM 1665 O VAL A 108 10.747 21.322 29.766 1.00 26.41 O ATOM 1666 CB VAL A 108 11.573 18.144 29.281 1.00 25.58 C ATOM 1667 CG1 VAL A 108 11.447 18.826 27.929 1.00 24.43 C ATOM 1668 CG2 VAL A 108 12.794 17.239 29.306 1.00 25.89 C ATOM 0 H VAL A 108 11.127 17.672 31.765 1.00 27.85 H new ATOM 0 HA VAL A 108 12.602 19.709 30.344 1.00 26.77 H new ATOM 0 HB VAL A 108 10.688 17.529 29.444 1.00 25.58 H new ATOM 0 HG11 VAL A 108 11.398 18.071 27.144 1.00 24.43 H new ATOM 0 HG12 VAL A 108 10.540 19.430 27.909 1.00 24.43 H new ATOM 0 HG13 VAL A 108 12.313 19.466 27.762 1.00 24.43 H new ATOM 0 HG21 VAL A 108 12.722 16.508 28.501 1.00 25.89 H new ATOM 0 HG22 VAL A 108 13.694 17.839 29.172 1.00 25.89 H new ATOM 0 HG23 VAL A 108 12.843 16.720 30.263 1.00 25.89 H new ATOM 1678 N MET A 109 9.299 19.820 30.601 1.00 26.48 N ATOM 1679 CA MET A 109 8.148 20.710 30.468 1.00 26.33 C ATOM 1680 C MET A 109 8.290 21.930 31.373 1.00 27.50 C ATOM 1681 O MET A 109 7.737 22.993 31.093 1.00 27.46 O ATOM 1682 CB MET A 109 6.855 19.968 30.802 1.00 26.26 C ATOM 1683 CG MET A 109 6.745 19.573 32.264 1.00 27.48 C ATOM 1684 SD MET A 109 5.093 19.002 32.705 1.00 27.39 S ATOM 1685 CE MET A 109 4.920 17.591 31.619 1.00 26.90 C ATOM 0 H MET A 109 9.083 18.903 30.993 1.00 26.48 H new ATOM 0 HA MET A 109 8.108 21.049 29.433 1.00 26.33 H new ATOM 0 HB2 MET A 109 6.005 20.598 30.539 1.00 26.26 H new ATOM 0 HB3 MET A 109 6.790 19.071 30.186 1.00 26.26 H new ATOM 0 HG2 MET A 109 7.467 18.785 32.479 1.00 27.48 H new ATOM 0 HG3 MET A 109 7.009 20.427 32.888 1.00 27.48 H new ATOM 0 HE1 MET A 109 4.122 17.780 30.901 1.00 26.90 H new ATOM 0 HE2 MET A 109 5.856 17.425 31.086 1.00 26.90 H new ATOM 0 HE3 MET A 109 4.676 16.707 32.208 1.00 26.90 H new ATOM 1695 N ILE A 110 9.029 21.766 32.464 1.00 28.57 N ATOM 1696 CA ILE A 110 9.242 22.847 33.414 1.00 29.77 C ATOM 1697 C ILE A 110 10.426 23.711 32.998 1.00 29.90 C ATOM 1698 O ILE A 110 10.428 24.925 33.209 1.00 30.43 O ATOM 1699 CB ILE A 110 9.492 22.307 34.837 1.00 30.96 C ATOM 1700 CG1 ILE A 110 8.302 21.461 35.303 1.00 31.00 C ATOM 1701 CG2 ILE A 110 9.744 23.457 35.804 1.00 32.20 C ATOM 1702 CD1 ILE A 110 8.541 20.746 36.617 1.00 32.05 C ATOM 0 H ILE A 110 9.491 20.891 32.712 1.00 28.57 H new ATOM 0 HA ILE A 110 8.334 23.450 33.418 1.00 29.77 H new ATOM 0 HB ILE A 110 10.378 21.673 34.818 1.00 30.96 H new ATOM 0 HG12 ILE A 110 7.427 22.104 35.403 1.00 31.00 H new ATOM 0 HG13 ILE A 110 8.069 20.723 34.535 1.00 31.00 H new ATOM 0 HG21 ILE A 110 9.919 23.060 36.804 1.00 32.20 H new ATOM 0 HG22 ILE A 110 10.619 24.020 35.479 1.00 32.20 H new ATOM 0 HG23 ILE A 110 8.875 24.115 35.822 1.00 32.20 H new ATOM 0 HD11 ILE A 110 7.656 20.168 36.883 1.00 32.05 H new ATOM 0 HD12 ILE A 110 9.395 20.077 36.517 1.00 32.05 H new ATOM 0 HD13 ILE A 110 8.744 21.479 37.398 1.00 32.05 H new ATOM 1714 N ASN A 111 11.434 23.077 32.403 1.00 29.51 N ATOM 1715 CA ASN A 111 12.623 23.792 31.955 1.00 29.69 C ATOM 1716 C ASN A 111 12.257 24.809 30.882 1.00 28.92 C ATOM 1717 O ASN A 111 12.765 25.930 30.876 1.00 29.42 O ATOM 1718 CB ASN A 111 13.674 22.818 31.416 1.00 29.42 C ATOM 1719 CG ASN A 111 15.063 23.427 31.381 1.00 30.42 C ATOM 1720 OD1 ASN A 111 15.848 23.160 30.471 1.00 30.38 O ATOM 1721 ND2 ASN A 111 15.377 24.240 32.384 1.00 31.39 N ATOM 0 H ASN A 111 11.450 22.073 32.221 1.00 29.51 H new ATOM 0 HA ASN A 111 13.045 24.317 32.812 1.00 29.69 H new ATOM 0 HB2 ASN A 111 13.688 21.923 32.038 1.00 29.42 H new ATOM 0 HB3 ASN A 111 13.393 22.504 30.411 1.00 29.42 H new ATOM 0 HD21 ASN A 111 16.301 24.671 32.421 1.00 31.39 H new ATOM 0 HD22 ASN A 111 14.694 24.433 33.117 1.00 31.39 H new ATOM 1728 N LEU A 112 11.371 24.411 29.972 1.00 27.75 N ATOM 1729 CA LEU A 112 10.926 25.299 28.903 1.00 26.97 C ATOM 1730 C LEU A 112 10.149 26.476 29.484 1.00 27.67 C ATOM 1731 O LEU A 112 9.865 27.455 28.793 1.00 27.59 O ATOM 1732 CB LEU A 112 10.090 24.540 27.862 1.00 25.59 C ATOM 1733 CG LEU A 112 8.754 23.978 28.352 1.00 25.50 C ATOM 1734 CD1 LEU A 112 7.656 25.024 28.236 1.00 25.51 C ATOM 1735 CD2 LEU A 112 8.385 22.731 27.561 1.00 24.36 C ATOM 0 H LEU A 112 10.949 23.483 29.954 1.00 27.75 H new ATOM 0 HA LEU A 112 11.806 25.688 28.391 1.00 26.97 H new ATOM 0 HB2 LEU A 112 9.894 25.210 27.025 1.00 25.59 H new ATOM 0 HB3 LEU A 112 10.689 23.715 27.477 1.00 25.59 H new ATOM 0 HG LEU A 112 8.859 23.708 29.403 1.00 25.50 H new ATOM 0 HD11 LEU A 112 6.714 24.604 28.590 1.00 25.51 H new ATOM 0 HD12 LEU A 112 7.916 25.893 28.841 1.00 25.51 H new ATOM 0 HD13 LEU A 112 7.550 25.326 27.194 1.00 25.51 H new ATOM 0 HD21 LEU A 112 7.432 22.341 27.920 1.00 24.36 H new ATOM 0 HD22 LEU A 112 8.299 22.983 26.504 1.00 24.36 H new ATOM 0 HD23 LEU A 112 9.159 21.975 27.692 1.00 24.36 H new ATOM 1747 N GLY A 113 9.809 26.363 30.767 1.00 28.44 N ATOM 1748 CA GLY A 113 9.074 27.414 31.451 1.00 29.23 C ATOM 1749 C GLY A 113 7.575 27.186 31.487 1.00 29.21 C ATOM 1750 O GLY A 113 6.859 27.527 30.545 1.00 29.01 O ATOM 0 H GLY A 113 10.032 25.555 31.348 1.00 28.44 H new ATOM 0 HA2 GLY A 113 9.444 27.498 32.473 1.00 29.23 H new ATOM 0 HA3 GLY A 113 9.276 28.366 30.959 1.00 29.23 H new ATOM 1754 N GLU A 114 7.107 26.606 32.591 1.00 29.51 N ATOM 1755 CA GLU A 114 5.683 26.336 32.788 1.00 29.65 C ATOM 1756 C GLU A 114 5.299 26.435 34.257 1.00 30.86 C ATOM 1757 O GLU A 114 4.215 26.913 34.597 1.00 31.02 O ATOM 1758 CB GLU A 114 5.305 24.959 32.240 1.00 28.56 C ATOM 1759 CG GLU A 114 5.285 24.891 30.723 1.00 27.33 C ATOM 1760 CD GLU A 114 4.644 23.619 30.204 1.00 26.52 C ATOM 1761 OE1 GLU A 114 3.399 23.571 30.125 1.00 26.19 O ATOM 1762 OE2 GLU A 114 5.388 22.671 29.876 1.00 26.29 O ATOM 0 H GLU A 114 7.698 26.312 33.368 1.00 29.51 H new ATOM 0 HA GLU A 114 5.129 27.096 32.236 1.00 29.65 H new ATOM 0 HB2 GLU A 114 6.011 24.220 32.619 1.00 28.56 H new ATOM 0 HB3 GLU A 114 4.321 24.684 32.620 1.00 28.56 H new ATOM 0 HG2 GLU A 114 4.743 25.752 30.332 1.00 27.33 H new ATOM 0 HG3 GLU A 114 6.306 24.959 30.347 1.00 27.33 H new ATOM 1769 N LYS A 115 6.187 25.975 35.113 1.00 31.76 N ATOM 1770 CA LYS A 115 5.966 26.004 36.555 1.00 32.97 C ATOM 1771 C LYS A 115 4.737 25.187 36.919 1.00 32.97 C ATOM 1772 O LYS A 115 3.714 25.728 37.343 1.00 33.55 O ATOM 1773 CB LYS A 115 5.818 27.447 37.050 1.00 34.07 C ATOM 1774 CG LYS A 115 7.137 28.198 37.166 1.00 34.37 C ATOM 1775 CD LYS A 115 7.787 28.413 35.808 1.00 34.03 C ATOM 1776 CE LYS A 115 9.106 29.158 35.933 1.00 34.21 C ATOM 1777 NZ LYS A 115 9.791 29.302 34.620 1.00 34.46 N ATOM 0 H LYS A 115 7.082 25.570 34.836 1.00 31.76 H new ATOM 0 HA LYS A 115 6.833 25.562 37.045 1.00 32.97 H new ATOM 0 HB2 LYS A 115 5.162 27.989 36.369 1.00 34.07 H new ATOM 0 HB3 LYS A 115 5.329 27.438 38.024 1.00 34.07 H new ATOM 0 HG2 LYS A 115 6.965 29.163 37.643 1.00 34.37 H new ATOM 0 HG3 LYS A 115 7.817 27.641 37.810 1.00 34.37 H new ATOM 0 HD2 LYS A 115 7.956 27.449 35.328 1.00 34.03 H new ATOM 0 HD3 LYS A 115 7.110 28.975 35.164 1.00 34.03 H new ATOM 0 HE2 LYS A 115 8.926 30.145 36.358 1.00 34.21 H new ATOM 0 HE3 LYS A 115 9.758 28.627 36.626 1.00 34.21 H new ATOM 0 HZ1 LYS A 115 10.573 29.982 34.709 1.00 34.46 H new ATOM 0 HZ2 LYS A 115 10.166 28.379 34.321 1.00 34.46 H new ATOM 0 HZ3 LYS A 115 9.113 29.646 33.910 1.00 34.46 H new ATOM 1791 N VAL A 116 4.853 23.879 36.746 1.00 32.39 N ATOM 1792 CA VAL A 116 3.763 22.967 37.044 1.00 32.39 C ATOM 1793 C VAL A 116 3.901 22.385 38.446 1.00 33.53 C ATOM 1794 O VAL A 116 5.010 22.213 38.954 1.00 33.96 O ATOM 1795 CB VAL A 116 3.711 21.811 36.024 1.00 31.13 C ATOM 1796 CG1 VAL A 116 3.933 22.329 34.613 1.00 29.96 C ATOM 1797 CG2 VAL A 116 4.729 20.735 36.369 1.00 31.21 C ATOM 0 H VAL A 116 5.697 23.425 36.398 1.00 32.39 H new ATOM 0 HA VAL A 116 2.839 23.543 36.983 1.00 32.39 H new ATOM 0 HB VAL A 116 2.718 21.363 36.071 1.00 31.13 H new ATOM 0 HG11 VAL A 116 3.892 21.497 33.910 1.00 29.96 H new ATOM 0 HG12 VAL A 116 3.157 23.053 34.365 1.00 29.96 H new ATOM 0 HG13 VAL A 116 4.910 22.809 34.551 1.00 29.96 H new ATOM 0 HG21 VAL A 116 4.672 19.931 35.635 1.00 31.21 H new ATOM 0 HG22 VAL A 116 5.731 21.165 36.359 1.00 31.21 H new ATOM 0 HG23 VAL A 116 4.515 20.336 37.361 1.00 31.21 H new ATOM 1807 N THR A 117 2.767 22.094 39.064 1.00 34.07 N ATOM 1808 CA THR A 117 2.755 21.512 40.397 1.00 35.18 C ATOM 1809 C THR A 117 2.831 19.991 40.313 1.00 34.78 C ATOM 1810 O THR A 117 2.401 19.396 39.328 1.00 33.80 O ATOM 1811 CB THR A 117 1.491 21.917 41.177 1.00 36.10 C ATOM 1812 OG1 THR A 117 0.328 21.704 40.369 1.00 35.42 O ATOM 1813 CG2 THR A 117 1.560 23.377 41.597 1.00 36.81 C ATOM 0 H THR A 117 1.842 22.251 38.663 1.00 34.07 H new ATOM 0 HA THR A 117 3.627 21.894 40.928 1.00 35.18 H new ATOM 0 HB THR A 117 1.430 21.299 42.073 1.00 36.10 H new ATOM 0 HG1 THR A 117 -0.452 22.107 40.805 1.00 35.42 H new ATOM 0 HG21 THR A 117 0.656 23.641 42.147 1.00 36.81 H new ATOM 0 HG22 THR A 117 2.430 23.531 42.235 1.00 36.81 H new ATOM 0 HG23 THR A 117 1.643 24.007 40.711 1.00 36.81 H new ATOM 1821 N ASP A 118 3.390 19.365 41.340 1.00 35.59 N ATOM 1822 CA ASP A 118 3.520 17.913 41.361 1.00 35.40 C ATOM 1823 C ASP A 118 2.171 17.237 41.128 1.00 35.21 C ATOM 1824 O ASP A 118 2.094 16.189 40.487 1.00 34.50 O ATOM 1825 CB ASP A 118 4.103 17.455 42.697 1.00 36.59 C ATOM 1826 CG ASP A 118 5.528 17.932 42.901 1.00 36.85 C ATOM 1827 OD1 ASP A 118 5.710 19.056 43.414 1.00 36.95 O ATOM 1828 OD2 ASP A 118 6.462 17.183 42.547 1.00 37.02 O ATOM 0 H ASP A 118 3.759 19.836 42.166 1.00 35.59 H new ATOM 0 HA ASP A 118 4.194 17.624 40.555 1.00 35.40 H new ATOM 0 HB2 ASP A 118 3.479 17.827 43.509 1.00 36.59 H new ATOM 0 HB3 ASP A 118 4.077 16.366 42.748 1.00 36.59 H new ATOM 1833 N GLU A 119 1.114 17.845 41.653 1.00 35.91 N ATOM 1834 CA GLU A 119 -0.231 17.299 41.520 1.00 35.91 C ATOM 1835 C GLU A 119 -0.661 17.141 40.061 1.00 34.60 C ATOM 1836 O GLU A 119 -1.148 16.080 39.671 1.00 34.24 O ATOM 1837 CB GLU A 119 -1.234 18.174 42.274 1.00 36.90 C ATOM 1838 CG GLU A 119 -1.250 19.623 41.818 1.00 36.71 C ATOM 1839 CD GLU A 119 -2.194 20.481 42.638 1.00 37.77 C ATOM 1840 OE1 GLU A 119 -1.759 21.013 43.682 1.00 38.19 O ATOM 1841 OE2 GLU A 119 -3.369 20.622 42.236 1.00 38.22 O ATOM 0 H GLU A 119 1.163 18.719 42.176 1.00 35.91 H new ATOM 0 HA GLU A 119 -0.214 16.301 41.958 1.00 35.91 H new ATOM 0 HB2 GLU A 119 -2.232 17.754 42.152 1.00 36.90 H new ATOM 0 HB3 GLU A 119 -1.002 18.141 43.339 1.00 36.90 H new ATOM 0 HG2 GLU A 119 -0.242 20.032 41.885 1.00 36.71 H new ATOM 0 HG3 GLU A 119 -1.543 19.667 40.769 1.00 36.71 H new ATOM 1848 N GLU A 120 -0.488 18.181 39.247 1.00 33.92 N ATOM 1849 CA GLU A 120 -0.889 18.087 37.848 1.00 32.68 C ATOM 1850 C GLU A 120 -0.017 17.067 37.131 1.00 31.73 C ATOM 1851 O GLU A 120 -0.455 16.419 36.180 1.00 30.88 O ATOM 1852 CB GLU A 120 -0.840 19.451 37.151 1.00 32.23 C ATOM 1853 CG GLU A 120 0.485 20.178 37.281 1.00 31.98 C ATOM 1854 CD GLU A 120 0.446 21.555 36.647 1.00 31.39 C ATOM 1855 OE1 GLU A 120 0.591 21.643 35.409 1.00 31.03 O ATOM 1856 OE2 GLU A 120 0.270 22.545 37.387 1.00 31.34 O ATOM 0 H GLU A 120 -0.084 19.076 39.524 1.00 33.92 H new ATOM 0 HA GLU A 120 -1.926 17.752 37.809 1.00 32.68 H new ATOM 0 HB2 GLU A 120 -1.061 19.312 36.093 1.00 32.23 H new ATOM 0 HB3 GLU A 120 -1.628 20.083 37.561 1.00 32.23 H new ATOM 0 HG2 GLU A 120 0.744 20.272 38.336 1.00 31.98 H new ATOM 0 HG3 GLU A 120 1.270 19.586 36.812 1.00 31.98 H new ATOM 1863 N ILE A 121 1.223 16.932 37.592 1.00 31.93 N ATOM 1864 CA ILE A 121 2.139 15.956 37.023 1.00 31.19 C ATOM 1865 C ILE A 121 1.593 14.540 37.217 1.00 31.38 C ATOM 1866 O ILE A 121 1.501 13.766 36.265 1.00 30.48 O ATOM 1867 CB ILE A 121 3.554 16.055 37.657 1.00 31.66 C ATOM 1868 CG1 ILE A 121 4.372 17.220 37.055 1.00 31.30 C ATOM 1869 CG2 ILE A 121 4.303 14.738 37.518 1.00 31.21 C ATOM 1870 CD1 ILE A 121 4.072 17.532 35.598 1.00 29.89 C ATOM 0 H ILE A 121 1.613 17.485 38.355 1.00 31.93 H new ATOM 0 HA ILE A 121 2.226 16.175 35.959 1.00 31.19 H new ATOM 0 HB ILE A 121 3.422 16.265 38.718 1.00 31.66 H new ATOM 0 HG12 ILE A 121 4.189 18.116 37.648 1.00 31.30 H new ATOM 0 HG13 ILE A 121 5.432 16.986 37.150 1.00 31.30 H new ATOM 0 HG21 ILE A 121 5.291 14.832 37.969 1.00 31.21 H new ATOM 0 HG22 ILE A 121 3.747 13.948 38.023 1.00 31.21 H new ATOM 0 HG23 ILE A 121 4.409 14.489 36.462 1.00 31.21 H new ATOM 0 HD11 ILE A 121 4.695 18.363 35.268 1.00 29.89 H new ATOM 0 HD12 ILE A 121 4.284 16.655 34.987 1.00 29.89 H new ATOM 0 HD13 ILE A 121 3.021 17.802 35.493 1.00 29.89 H new ATOM 1882 N ASP A 122 1.241 14.198 38.456 1.00 32.59 N ATOM 1883 CA ASP A 122 0.707 12.873 38.750 1.00 32.95 C ATOM 1884 C ASP A 122 -0.566 12.608 37.953 1.00 32.41 C ATOM 1885 O ASP A 122 -0.879 11.463 37.626 1.00 32.19 O ATOM 1886 CB ASP A 122 0.426 12.722 40.252 1.00 34.41 C ATOM 1887 CG ASP A 122 -0.890 13.345 40.685 1.00 35.02 C ATOM 1888 OD1 ASP A 122 -1.948 12.858 40.238 1.00 35.33 O ATOM 1889 OD2 ASP A 122 -0.862 14.330 41.452 1.00 35.24 O ATOM 0 H ASP A 122 1.316 14.815 39.264 1.00 32.59 H new ATOM 0 HA ASP A 122 1.458 12.139 38.457 1.00 32.95 H new ATOM 0 HB2 ASP A 122 0.420 11.663 40.508 1.00 34.41 H new ATOM 0 HB3 ASP A 122 1.239 13.181 40.814 1.00 34.41 H new ATOM 1894 N GLU A 123 -1.294 13.678 37.643 1.00 32.28 N ATOM 1895 CA GLU A 123 -2.545 13.573 36.899 1.00 31.88 C ATOM 1896 C GLU A 123 -2.329 13.019 35.493 1.00 30.51 C ATOM 1897 O GLU A 123 -2.946 12.027 35.107 1.00 30.32 O ATOM 1898 CB GLU A 123 -3.220 14.944 36.821 1.00 32.05 C ATOM 1899 CG GLU A 123 -4.387 14.993 35.849 1.00 31.72 C ATOM 1900 CD GLU A 123 -5.197 16.268 35.975 1.00 32.49 C ATOM 1901 OE1 GLU A 123 -6.105 16.314 36.831 1.00 32.95 O ATOM 1902 OE2 GLU A 123 -4.923 17.222 35.217 1.00 32.69 O ATOM 0 H GLU A 123 -1.037 14.632 37.897 1.00 32.28 H new ATOM 0 HA GLU A 123 -3.189 12.874 37.433 1.00 31.88 H new ATOM 0 HB2 GLU A 123 -3.573 15.223 37.814 1.00 32.05 H new ATOM 0 HB3 GLU A 123 -2.480 15.688 36.525 1.00 32.05 H new ATOM 0 HG2 GLU A 123 -4.010 14.905 34.830 1.00 31.72 H new ATOM 0 HG3 GLU A 123 -5.037 14.135 36.023 1.00 31.72 H new ATOM 1909 N MET A 124 -1.461 13.670 34.726 1.00 29.62 N ATOM 1910 CA MET A 124 -1.184 13.236 33.360 1.00 28.28 C ATOM 1911 C MET A 124 -0.659 11.804 33.322 1.00 28.13 C ATOM 1912 O MET A 124 -1.098 11.000 32.499 1.00 27.52 O ATOM 1913 CB MET A 124 -0.191 14.184 32.685 1.00 27.46 C ATOM 1914 CG MET A 124 1.072 14.433 33.489 1.00 28.01 C ATOM 1915 SD MET A 124 2.101 15.734 32.782 1.00 27.29 S ATOM 1916 CE MET A 124 2.277 15.156 31.097 1.00 26.32 C ATOM 0 H MET A 124 -0.940 14.495 35.024 1.00 29.62 H new ATOM 0 HA MET A 124 -2.125 13.261 32.810 1.00 28.28 H new ATOM 0 HB2 MET A 124 0.084 13.773 31.714 1.00 27.46 H new ATOM 0 HB3 MET A 124 -0.685 15.138 32.499 1.00 27.46 H new ATOM 0 HG2 MET A 124 0.801 14.704 34.509 1.00 28.01 H new ATOM 0 HG3 MET A 124 1.649 13.510 33.547 1.00 28.01 H new ATOM 0 HE1 MET A 124 3.184 15.576 30.661 1.00 26.32 H new ATOM 0 HE2 MET A 124 2.341 14.068 31.090 1.00 26.32 H new ATOM 0 HE3 MET A 124 1.413 15.472 30.512 1.00 26.32 H new ATOM 1926 N ILE A 125 0.281 11.486 34.209 1.00 28.78 N ATOM 1927 CA ILE A 125 0.859 10.144 34.245 1.00 28.80 C ATOM 1928 C ILE A 125 -0.187 9.066 34.522 1.00 29.32 C ATOM 1929 O ILE A 125 -0.352 8.143 33.733 1.00 28.74 O ATOM 1930 CB ILE A 125 1.965 10.021 35.314 1.00 29.69 C ATOM 1931 CG1 ILE A 125 3.047 11.089 35.079 1.00 29.31 C ATOM 1932 CG2 ILE A 125 2.555 8.609 35.299 1.00 29.77 C ATOM 1933 CD1 ILE A 125 4.438 10.676 35.518 1.00 30.29 C ATOM 0 H ILE A 125 0.656 12.131 34.905 1.00 28.78 H new ATOM 0 HA ILE A 125 1.283 9.989 33.253 1.00 28.80 H new ATOM 0 HB ILE A 125 1.536 10.193 36.301 1.00 29.69 H new ATOM 0 HG12 ILE A 125 3.072 11.336 34.018 1.00 29.31 H new ATOM 0 HG13 ILE A 125 2.766 11.998 35.611 1.00 29.31 H new ATOM 0 HG21 ILE A 125 3.335 8.532 36.057 1.00 29.77 H new ATOM 0 HG22 ILE A 125 1.769 7.884 35.512 1.00 29.77 H new ATOM 0 HG23 ILE A 125 2.982 8.403 34.317 1.00 29.77 H new ATOM 0 HD11 ILE A 125 5.139 11.486 35.317 1.00 30.29 H new ATOM 0 HD12 ILE A 125 4.433 10.458 36.586 1.00 30.29 H new ATOM 0 HD13 ILE A 125 4.744 9.786 34.968 1.00 30.29 H new ATOM 1945 N ARG A 126 -0.889 9.193 35.645 1.00 30.48 N ATOM 1946 CA ARG A 126 -1.900 8.210 36.041 1.00 31.17 C ATOM 1947 C ARG A 126 -2.929 7.943 34.942 1.00 30.45 C ATOM 1948 O ARG A 126 -3.331 6.799 34.729 1.00 30.52 O ATOM 1949 CB ARG A 126 -2.609 8.667 37.322 1.00 32.45 C ATOM 1950 CG ARG A 126 -3.448 9.921 37.157 1.00 32.40 C ATOM 1951 CD ARG A 126 -4.139 10.296 38.458 1.00 33.74 C ATOM 1952 NE ARG A 126 -3.188 10.441 39.557 1.00 34.27 N ATOM 1953 CZ ARG A 126 -3.527 10.376 40.841 1.00 35.37 C ATOM 1954 NH1 ARG A 126 -4.792 10.180 41.190 1.00 36.06 N ATOM 1955 NH2 ARG A 126 -2.600 10.509 41.780 1.00 35.85 N ATOM 0 H ARG A 126 -0.778 9.967 36.299 1.00 30.48 H new ATOM 0 HA ARG A 126 -1.375 7.272 36.223 1.00 31.17 H new ATOM 0 HB2 ARG A 126 -3.249 7.859 37.677 1.00 32.45 H new ATOM 0 HB3 ARG A 126 -1.861 8.843 38.095 1.00 32.45 H new ATOM 0 HG2 ARG A 126 -2.814 10.745 36.828 1.00 32.40 H new ATOM 0 HG3 ARG A 126 -4.194 9.762 36.378 1.00 32.40 H new ATOM 0 HD2 ARG A 126 -4.684 11.230 38.324 1.00 33.74 H new ATOM 0 HD3 ARG A 126 -4.874 9.532 38.712 1.00 33.74 H new ATOM 0 HE ARG A 126 -2.207 10.601 39.326 1.00 34.27 H new ATOM 0 HH11 ARG A 126 -5.509 10.078 40.472 1.00 36.06 H new ATOM 0 HH12 ARG A 126 -5.047 10.131 42.176 1.00 36.06 H new ATOM 0 HH21 ARG A 126 -1.626 10.661 41.517 1.00 35.85 H new ATOM 0 HH22 ARG A 126 -2.861 10.459 42.765 1.00 35.85 H new ATOM 1969 N GLU A 127 -3.355 8.994 34.250 1.00 29.84 N ATOM 1970 CA GLU A 127 -4.357 8.858 33.193 1.00 29.22 C ATOM 1971 C GLU A 127 -3.884 7.946 32.064 1.00 28.15 C ATOM 1972 O GLU A 127 -4.641 7.100 31.586 1.00 28.09 O ATOM 1973 CB GLU A 127 -4.716 10.227 32.618 1.00 28.76 C ATOM 1974 CG GLU A 127 -6.165 10.329 32.166 1.00 28.80 C ATOM 1975 CD GLU A 127 -6.567 11.747 31.814 1.00 28.73 C ATOM 1976 OE1 GLU A 127 -6.668 12.581 32.738 1.00 28.70 O ATOM 1977 OE2 GLU A 127 -6.781 12.025 30.615 1.00 28.78 O ATOM 0 H GLU A 127 -3.025 9.948 34.399 1.00 29.84 H new ATOM 0 HA GLU A 127 -5.237 8.404 33.649 1.00 29.22 H new ATOM 0 HB2 GLU A 127 -4.523 10.991 33.371 1.00 28.76 H new ATOM 0 HB3 GLU A 127 -4.063 10.441 31.772 1.00 28.76 H new ATOM 0 HG2 GLU A 127 -6.317 9.686 31.299 1.00 28.80 H new ATOM 0 HG3 GLU A 127 -6.816 9.957 32.957 1.00 28.80 H new ATOM 1984 N ALA A 128 -2.637 8.116 31.641 1.00 27.36 N ATOM 1985 CA ALA A 128 -2.094 7.314 30.555 1.00 26.33 C ATOM 1986 C ALA A 128 -1.400 6.056 31.066 1.00 26.81 C ATOM 1987 O ALA A 128 -1.197 5.109 30.312 1.00 26.28 O ATOM 1988 CB ALA A 128 -1.133 8.144 29.716 1.00 25.22 C ATOM 0 H ALA A 128 -1.987 8.798 32.032 1.00 27.36 H new ATOM 0 HA ALA A 128 -2.931 6.996 29.933 1.00 26.33 H new ATOM 0 HB1 ALA A 128 -0.734 7.532 28.907 1.00 25.22 H new ATOM 0 HB2 ALA A 128 -1.662 9.000 29.296 1.00 25.22 H new ATOM 0 HB3 ALA A 128 -0.314 8.496 30.343 1.00 25.22 H new ATOM 1994 N ASP A 129 -1.048 6.046 32.346 1.00 27.88 N ATOM 1995 CA ASP A 129 -0.367 4.899 32.939 1.00 28.48 C ATOM 1996 C ASP A 129 -1.298 3.696 33.032 1.00 29.02 C ATOM 1997 O ASP A 129 -1.797 3.359 34.107 1.00 30.17 O ATOM 1998 CB ASP A 129 0.173 5.252 34.323 1.00 29.57 C ATOM 1999 CG ASP A 129 1.118 4.194 34.850 1.00 30.10 C ATOM 2000 OD1 ASP A 129 1.980 3.726 34.072 1.00 30.12 O ATOM 2001 OD2 ASP A 129 1.000 3.835 36.040 1.00 30.56 O ATOM 0 H ASP A 129 -1.222 6.816 32.992 1.00 27.88 H new ATOM 0 HA ASP A 129 0.469 4.636 32.291 1.00 28.48 H new ATOM 0 HB2 ASP A 129 0.691 6.210 34.276 1.00 29.57 H new ATOM 0 HB3 ASP A 129 -0.659 5.373 35.017 1.00 29.57 H new ATOM 2006 N PHE A 130 -1.525 3.057 31.893 1.00 28.23 N ATOM 2007 CA PHE A 130 -2.397 1.889 31.821 1.00 28.72 C ATOM 2008 C PHE A 130 -1.746 0.667 32.463 1.00 29.48 C ATOM 2009 O PHE A 130 -2.413 -0.118 33.139 1.00 30.47 O ATOM 2010 CB PHE A 130 -2.746 1.579 30.364 1.00 27.68 C ATOM 2011 CG PHE A 130 -3.416 2.718 29.647 1.00 26.94 C ATOM 2012 CD1 PHE A 130 -4.659 3.175 30.056 1.00 26.82 C ATOM 2013 CD2 PHE A 130 -2.801 3.332 28.569 1.00 26.44 C ATOM 2014 CE1 PHE A 130 -5.275 4.224 29.401 1.00 26.23 C ATOM 2015 CE2 PHE A 130 -3.411 4.382 27.911 1.00 25.82 C ATOM 2016 CZ PHE A 130 -4.650 4.829 28.327 1.00 25.72 C ATOM 0 H PHE A 130 -1.115 3.329 30.999 1.00 28.23 H new ATOM 0 HA PHE A 130 -3.308 2.121 32.373 1.00 28.72 H new ATOM 0 HB2 PHE A 130 -1.834 1.312 29.830 1.00 27.68 H new ATOM 0 HB3 PHE A 130 -3.400 0.708 30.334 1.00 27.68 H new ATOM 0 HD1 PHE A 130 -5.151 2.706 30.895 1.00 26.82 H new ATOM 0 HD2 PHE A 130 -1.833 2.986 28.239 1.00 26.44 H new ATOM 0 HE1 PHE A 130 -6.244 4.571 29.728 1.00 26.23 H new ATOM 0 HE2 PHE A 130 -2.920 4.853 27.072 1.00 25.82 H new ATOM 0 HZ PHE A 130 -5.129 5.650 27.814 1.00 25.72 H new ATOM 2026 N ASP A 131 -0.442 0.511 32.251 1.00 29.07 N ATOM 2027 CA ASP A 131 0.290 -0.628 32.800 1.00 29.81 C ATOM 2028 C ASP A 131 0.480 -0.467 34.302 1.00 31.01 C ATOM 2029 O ASP A 131 0.995 -1.361 34.975 1.00 31.82 O ATOM 2030 CB ASP A 131 1.666 -0.748 32.153 1.00 29.11 C ATOM 2031 CG ASP A 131 1.735 -0.137 30.771 1.00 27.70 C ATOM 2032 OD1 ASP A 131 1.162 -0.740 29.833 1.00 27.31 O ATOM 2033 OD2 ASP A 131 2.355 0.937 30.623 1.00 27.01 O ATOM 0 H ASP A 131 0.129 1.156 31.705 1.00 29.07 H new ATOM 0 HA ASP A 131 -0.294 -1.524 32.593 1.00 29.81 H new ATOM 0 HB2 ASP A 131 2.404 -0.264 32.793 1.00 29.11 H new ATOM 0 HB3 ASP A 131 1.939 -1.801 32.091 1.00 29.11 H new ATOM 2038 N GLY A 132 0.056 0.681 34.817 1.00 31.16 N ATOM 2039 CA GLY A 132 0.202 0.967 36.229 1.00 32.30 C ATOM 2040 C GLY A 132 1.639 0.926 36.690 1.00 32.54 C ATOM 2041 O GLY A 132 1.954 0.325 37.717 1.00 33.59 O ATOM 0 H GLY A 132 -0.389 1.423 34.276 1.00 31.16 H new ATOM 0 HA2 GLY A 132 -0.214 1.952 36.440 1.00 32.30 H new ATOM 0 HA3 GLY A 132 -0.379 0.245 36.803 1.00 32.30 H new ATOM 2045 N ASP A 133 2.511 1.579 35.930 1.00 31.60 N ATOM 2046 CA ASP A 133 3.914 1.647 36.274 1.00 31.81 C ATOM 2047 C ASP A 133 4.258 3.072 36.641 1.00 31.80 C ATOM 2048 O ASP A 133 3.570 4.014 36.254 1.00 31.29 O ATOM 2049 CB ASP A 133 4.816 1.239 35.106 1.00 30.84 C ATOM 2050 CG ASP A 133 4.156 0.305 34.125 1.00 30.25 C ATOM 2051 OD1 ASP A 133 3.698 -0.779 34.543 1.00 30.65 O ATOM 2052 OD2 ASP A 133 4.102 0.666 32.927 1.00 29.45 O ATOM 0 H ASP A 133 2.263 2.068 35.070 1.00 31.60 H new ATOM 0 HA ASP A 133 4.082 0.959 37.103 1.00 31.81 H new ATOM 0 HB2 ASP A 133 5.139 2.136 34.578 1.00 30.84 H new ATOM 0 HB3 ASP A 133 5.713 0.761 35.501 1.00 30.84 H new ATOM 2057 N GLY A 134 5.322 3.218 37.385 1.00 32.44 N ATOM 2058 CA GLY A 134 5.777 4.537 37.766 1.00 32.56 C ATOM 2059 C GLY A 134 6.428 5.251 36.598 1.00 31.38 C ATOM 2060 O GLY A 134 7.274 6.121 36.788 1.00 31.48 O ATOM 0 H GLY A 134 5.890 2.448 37.739 1.00 32.44 H new ATOM 0 HA2 GLY A 134 4.934 5.124 38.130 1.00 32.56 H new ATOM 0 HA3 GLY A 134 6.488 4.456 38.588 1.00 32.56 H new ATOM 2064 N MET A 135 6.038 4.863 35.382 1.00 30.31 N ATOM 2065 CA MET A 135 6.594 5.453 34.172 1.00 29.12 C ATOM 2066 C MET A 135 5.583 5.441 33.024 1.00 28.02 C ATOM 2067 O MET A 135 4.693 4.580 32.960 1.00 28.13 O ATOM 2068 CB MET A 135 7.856 4.691 33.768 1.00 28.97 C ATOM 2069 CG MET A 135 7.660 3.185 33.708 1.00 29.26 C ATOM 2070 SD MET A 135 9.114 2.272 34.261 1.00 30.55 S ATOM 2071 CE MET A 135 9.193 2.767 35.981 1.00 31.50 C ATOM 0 H MET A 135 5.338 4.141 35.214 1.00 30.31 H new ATOM 0 HA MET A 135 6.842 6.493 34.382 1.00 29.12 H new ATOM 0 HB2 MET A 135 8.189 5.046 32.792 1.00 28.97 H new ATOM 0 HB3 MET A 135 8.651 4.918 34.478 1.00 28.97 H new ATOM 0 HG2 MET A 135 6.806 2.909 34.326 1.00 29.26 H new ATOM 0 HG3 MET A 135 7.421 2.894 32.685 1.00 29.26 H new ATOM 0 HE1 MET A 135 9.633 1.963 36.571 1.00 31.50 H new ATOM 0 HE2 MET A 135 9.806 3.663 36.074 1.00 31.50 H new ATOM 0 HE3 MET A 135 8.187 2.976 36.346 1.00 31.50 H new ATOM 2081 N ILE A 136 5.737 6.398 32.109 1.00 27.01 N ATOM 2082 CA ILE A 136 4.850 6.516 30.959 1.00 25.91 C ATOM 2083 C ILE A 136 5.495 5.937 29.707 1.00 24.90 C ATOM 2084 O ILE A 136 6.563 6.374 29.295 1.00 24.54 O ATOM 2085 CB ILE A 136 4.477 7.983 30.671 1.00 25.40 C ATOM 2086 CG1 ILE A 136 3.882 8.650 31.911 1.00 26.49 C ATOM 2087 CG2 ILE A 136 3.499 8.054 29.508 1.00 24.33 C ATOM 2088 CD1 ILE A 136 3.541 10.111 31.701 1.00 26.17 C ATOM 0 H ILE A 136 6.472 7.104 32.145 1.00 27.01 H new ATOM 0 HA ILE A 136 3.949 5.956 31.210 1.00 25.91 H new ATOM 0 HB ILE A 136 5.385 8.522 30.402 1.00 25.40 H new ATOM 0 HG12 ILE A 136 2.981 8.113 32.207 1.00 26.49 H new ATOM 0 HG13 ILE A 136 4.589 8.564 32.736 1.00 26.49 H new ATOM 0 HG21 ILE A 136 3.241 9.095 29.312 1.00 24.33 H new ATOM 0 HG22 ILE A 136 3.958 7.620 28.620 1.00 24.33 H new ATOM 0 HG23 ILE A 136 2.596 7.498 29.758 1.00 24.33 H new ATOM 0 HD11 ILE A 136 3.123 10.523 32.620 1.00 26.17 H new ATOM 0 HD12 ILE A 136 4.444 10.661 31.435 1.00 26.17 H new ATOM 0 HD13 ILE A 136 2.810 10.202 30.897 1.00 26.17 H new ATOM 2100 N ASN A 137 4.832 4.975 29.089 1.00 24.49 N ATOM 2101 CA ASN A 137 5.352 4.353 27.884 1.00 23.59 C ATOM 2102 C ASN A 137 4.918 5.158 26.670 1.00 22.27 C ATOM 2103 O ASN A 137 3.876 5.809 26.704 1.00 22.13 O ATOM 2104 CB ASN A 137 4.857 2.908 27.782 1.00 23.94 C ATOM 2105 CG ASN A 137 5.495 2.135 26.644 1.00 23.25 C ATOM 2106 OD1 ASN A 137 5.909 2.702 25.636 1.00 22.19 O ATOM 2107 ND2 ASN A 137 5.571 0.822 26.798 1.00 23.92 N ATOM 0 H ASN A 137 3.933 4.608 29.402 1.00 24.49 H new ATOM 0 HA ASN A 137 6.441 4.337 27.924 1.00 23.59 H new ATOM 0 HB2 ASN A 137 5.062 2.394 28.721 1.00 23.94 H new ATOM 0 HB3 ASN A 137 3.775 2.910 27.649 1.00 23.94 H new ATOM 0 HD21 ASN A 137 5.984 0.246 26.065 1.00 23.92 H new ATOM 0 HD22 ASN A 137 5.216 0.387 27.650 1.00 23.92 H new ATOM 2114 N TYR A 138 5.723 5.134 25.614 1.00 21.38 N ATOM 2115 CA TYR A 138 5.408 5.872 24.398 1.00 20.08 C ATOM 2116 C TYR A 138 3.922 5.798 24.076 1.00 19.79 C ATOM 2117 O TYR A 138 3.315 6.800 23.716 1.00 19.22 O ATOM 2118 CB TYR A 138 6.214 5.339 23.215 1.00 19.28 C ATOM 2119 CG TYR A 138 5.816 5.968 21.898 1.00 17.91 C ATOM 2120 CD1 TYR A 138 6.151 7.285 21.610 1.00 17.16 C ATOM 2121 CD2 TYR A 138 5.094 5.253 20.953 1.00 17.42 C ATOM 2122 CE1 TYR A 138 5.780 7.870 20.416 1.00 15.93 C ATOM 2123 CE2 TYR A 138 4.716 5.831 19.757 1.00 16.17 C ATOM 2124 CZ TYR A 138 5.063 7.141 19.493 1.00 15.40 C ATOM 2125 OH TYR A 138 4.689 7.721 18.303 1.00 14.17 O ATOM 0 H TYR A 138 6.598 4.612 25.576 1.00 21.38 H new ATOM 0 HA TYR A 138 5.676 6.914 24.572 1.00 20.08 H new ATOM 0 HB2 TYR A 138 7.274 5.521 23.393 1.00 19.28 H new ATOM 0 HB3 TYR A 138 6.083 4.259 23.150 1.00 19.28 H new ATOM 0 HD1 TYR A 138 6.711 7.861 22.332 1.00 17.16 H new ATOM 0 HD2 TYR A 138 4.823 4.227 21.156 1.00 17.42 H new ATOM 0 HE1 TYR A 138 6.051 8.894 20.207 1.00 15.93 H new ATOM 0 HE2 TYR A 138 4.152 5.262 19.033 1.00 16.17 H new ATOM 0 HH TYR A 138 3.732 7.571 18.152 1.00 14.17 H new ATOM 2135 N GLU A 139 3.343 4.612 24.231 1.00 20.30 N ATOM 2136 CA GLU A 139 1.925 4.399 23.942 1.00 20.23 C ATOM 2137 C GLU A 139 1.028 5.260 24.827 1.00 20.87 C ATOM 2138 O GLU A 139 0.063 5.868 24.356 1.00 20.48 O ATOM 2139 CB GLU A 139 1.572 2.925 24.135 1.00 20.94 C ATOM 2140 CG GLU A 139 1.963 2.376 25.498 1.00 22.25 C ATOM 2141 CD GLU A 139 1.600 0.913 25.664 1.00 22.99 C ATOM 2142 OE1 GLU A 139 2.407 0.052 25.256 1.00 23.36 O ATOM 2143 OE2 GLU A 139 0.509 0.631 26.203 1.00 23.27 O ATOM 0 H GLU A 139 3.834 3.779 24.556 1.00 20.30 H new ATOM 0 HA GLU A 139 1.752 4.691 22.906 1.00 20.23 H new ATOM 0 HB2 GLU A 139 0.499 2.796 23.996 1.00 20.94 H new ATOM 0 HB3 GLU A 139 2.066 2.338 23.361 1.00 20.94 H new ATOM 0 HG2 GLU A 139 3.037 2.498 25.640 1.00 22.25 H new ATOM 0 HG3 GLU A 139 1.470 2.959 26.276 1.00 22.25 H new ATOM 2150 N GLU A 140 1.360 5.319 26.107 1.00 21.93 N ATOM 2151 CA GLU A 140 0.580 6.083 27.068 1.00 22.74 C ATOM 2152 C GLU A 140 0.753 7.579 26.845 1.00 22.24 C ATOM 2153 O GLU A 140 -0.220 8.331 26.780 1.00 22.29 O ATOM 2154 CB GLU A 140 1.024 5.735 28.486 1.00 24.01 C ATOM 2155 CG GLU A 140 1.196 4.243 28.736 1.00 24.56 C ATOM 2156 CD GLU A 140 1.590 3.936 30.170 1.00 25.83 C ATOM 2157 OE1 GLU A 140 2.502 4.604 30.696 1.00 26.30 O ATOM 2158 OE2 GLU A 140 0.984 3.026 30.767 1.00 26.40 O ATOM 0 H GLU A 140 2.169 4.844 26.506 1.00 21.93 H new ATOM 0 HA GLU A 140 -0.471 5.827 26.932 1.00 22.74 H new ATOM 0 HB2 GLU A 140 1.968 6.238 28.693 1.00 24.01 H new ATOM 0 HB3 GLU A 140 0.292 6.128 29.191 1.00 24.01 H new ATOM 0 HG2 GLU A 140 0.264 3.729 28.500 1.00 24.56 H new ATOM 0 HG3 GLU A 140 1.957 3.850 28.061 1.00 24.56 H new ATOM 2165 N PHE A 141 2.003 7.993 26.725 1.00 21.88 N ATOM 2166 CA PHE A 141 2.341 9.395 26.527 1.00 21.51 C ATOM 2167 C PHE A 141 1.715 9.941 25.246 1.00 20.36 C ATOM 2168 O PHE A 141 1.045 10.973 25.262 1.00 20.46 O ATOM 2169 CB PHE A 141 3.865 9.545 26.491 1.00 21.36 C ATOM 2170 CG PHE A 141 4.347 10.871 25.983 1.00 20.89 C ATOM 2171 CD1 PHE A 141 4.460 11.951 26.841 1.00 20.72 C ATOM 2172 CD2 PHE A 141 4.678 11.041 24.648 1.00 20.72 C ATOM 2173 CE1 PHE A 141 4.895 13.176 26.380 1.00 20.40 C ATOM 2174 CE2 PHE A 141 5.114 12.265 24.180 1.00 20.40 C ATOM 2175 CZ PHE A 141 5.257 13.318 25.035 1.00 20.24 C ATOM 0 H PHE A 141 2.810 7.371 26.762 1.00 21.88 H new ATOM 0 HA PHE A 141 1.938 9.975 27.357 1.00 21.51 H new ATOM 0 HB2 PHE A 141 4.257 9.391 27.497 1.00 21.36 H new ATOM 0 HB3 PHE A 141 4.280 8.757 25.863 1.00 21.36 H new ATOM 0 HD1 PHE A 141 4.205 11.833 27.884 1.00 20.72 H new ATOM 0 HD2 PHE A 141 4.594 10.207 23.966 1.00 20.72 H new ATOM 0 HE1 PHE A 141 4.956 14.020 27.052 1.00 20.40 H new ATOM 0 HE2 PHE A 141 5.343 12.389 23.132 1.00 20.40 H new ATOM 0 HZ PHE A 141 5.648 14.258 24.676 1.00 20.24 H new ATOM 2185 N VAL A 142 1.945 9.242 24.142 1.00 19.36 N ATOM 2186 CA VAL A 142 1.414 9.661 22.845 1.00 18.22 C ATOM 2187 C VAL A 142 -0.099 9.795 22.877 1.00 18.56 C ATOM 2188 O VAL A 142 -0.667 10.684 22.245 1.00 18.08 O ATOM 2189 CB VAL A 142 1.791 8.687 21.713 1.00 17.23 C ATOM 2190 CG1 VAL A 142 1.236 7.300 21.969 1.00 17.77 C ATOM 2191 CG2 VAL A 142 1.279 9.215 20.390 1.00 16.07 C ATOM 0 H VAL A 142 2.495 8.383 24.115 1.00 19.36 H new ATOM 0 HA VAL A 142 1.867 10.631 22.643 1.00 18.22 H new ATOM 0 HB VAL A 142 2.878 8.611 21.679 1.00 17.23 H new ATOM 0 HG11 VAL A 142 1.520 6.638 21.151 1.00 17.77 H new ATOM 0 HG12 VAL A 142 1.639 6.914 22.905 1.00 17.77 H new ATOM 0 HG13 VAL A 142 0.149 7.349 22.035 1.00 17.77 H new ATOM 0 HG21 VAL A 142 1.549 8.522 19.593 1.00 16.07 H new ATOM 0 HG22 VAL A 142 0.194 9.314 20.433 1.00 16.07 H new ATOM 0 HG23 VAL A 142 1.725 10.189 20.190 1.00 16.07 H new ATOM 2201 N TRP A 143 -0.745 8.908 23.621 1.00 19.50 N ATOM 2202 CA TRP A 143 -2.194 8.924 23.735 1.00 20.05 C ATOM 2203 C TRP A 143 -2.660 10.265 24.281 1.00 20.61 C ATOM 2204 O TRP A 143 -3.528 10.928 23.714 1.00 20.44 O ATOM 2205 CB TRP A 143 -2.654 7.795 24.665 1.00 21.15 C ATOM 2206 CG TRP A 143 -3.977 8.070 25.306 1.00 22.13 C ATOM 2207 CD1 TRP A 143 -5.189 7.808 24.773 1.00 22.20 C ATOM 2208 CD2 TRP A 143 -4.219 8.684 26.575 1.00 23.25 C ATOM 2209 NE1 TRP A 143 -6.185 8.206 25.631 1.00 23.30 N ATOM 2210 CE2 TRP A 143 -5.613 8.752 26.741 1.00 23.94 C ATOM 2211 CE3 TRP A 143 -3.398 9.181 27.586 1.00 23.82 C ATOM 2212 CZ2 TRP A 143 -6.202 9.297 27.873 1.00 25.11 C ATOM 2213 CZ3 TRP A 143 -3.985 9.726 28.710 1.00 24.98 C ATOM 2214 CH2 TRP A 143 -5.375 9.779 28.843 1.00 25.59 C ATOM 0 H TRP A 143 -0.287 8.169 24.154 1.00 19.50 H new ATOM 0 HA TRP A 143 -2.629 8.774 22.747 1.00 20.05 H new ATOM 0 HB2 TRP A 143 -2.717 6.867 24.097 1.00 21.15 H new ATOM 0 HB3 TRP A 143 -1.904 7.643 25.442 1.00 21.15 H new ATOM 0 HD1 TRP A 143 -5.352 7.350 23.809 1.00 22.20 H new ATOM 0 HE1 TRP A 143 -7.187 8.109 25.465 1.00 23.30 H new ATOM 0 HE3 TRP A 143 -2.323 9.140 27.492 1.00 23.82 H new ATOM 0 HZ2 TRP A 143 -7.276 9.338 27.981 1.00 25.11 H new ATOM 0 HZ3 TRP A 143 -3.360 10.118 29.499 1.00 24.98 H new ATOM 0 HH2 TRP A 143 -5.804 10.212 29.735 1.00 25.59 H new ATOM 2225 N MET A 144 -2.065 10.635 25.392 1.00 21.37 N ATOM 2226 CA MET A 144 -2.378 11.868 26.091 1.00 22.12 C ATOM 2227 C MET A 144 -2.298 13.097 25.188 1.00 21.40 C ATOM 2228 O MET A 144 -3.259 13.858 25.077 1.00 21.75 O ATOM 2229 CB MET A 144 -1.405 11.987 27.250 1.00 22.89 C ATOM 2230 CG MET A 144 -1.470 13.310 27.993 1.00 23.65 C ATOM 2231 SD MET A 144 -0.149 13.482 29.206 1.00 23.25 S ATOM 2232 CE MET A 144 1.284 13.112 28.197 1.00 22.97 C ATOM 0 H MET A 144 -1.338 10.081 25.845 1.00 21.37 H new ATOM 0 HA MET A 144 -3.409 11.830 26.442 1.00 22.12 H new ATOM 0 HB2 MET A 144 -1.599 11.179 27.955 1.00 22.89 H new ATOM 0 HB3 MET A 144 -0.392 11.845 26.874 1.00 22.89 H new ATOM 0 HG2 MET A 144 -1.411 14.129 27.277 1.00 23.65 H new ATOM 0 HG3 MET A 144 -2.434 13.395 28.495 1.00 23.65 H new ATOM 0 HE1 MET A 144 2.116 13.748 28.499 1.00 22.97 H new ATOM 0 HE2 MET A 144 1.561 12.066 28.328 1.00 22.97 H new ATOM 0 HE3 MET A 144 1.048 13.297 27.149 1.00 22.97 H new ATOM 2242 N ILE A 145 -1.150 13.288 24.553 1.00 20.47 N ATOM 2243 CA ILE A 145 -0.941 14.432 23.672 1.00 19.79 C ATOM 2244 C ILE A 145 -1.717 14.289 22.366 1.00 18.96 C ATOM 2245 O ILE A 145 -1.854 15.251 21.608 1.00 18.60 O ATOM 2246 CB ILE A 145 0.550 14.639 23.359 1.00 19.06 C ATOM 2247 CG1 ILE A 145 1.168 13.342 22.838 1.00 18.09 C ATOM 2248 CG2 ILE A 145 1.286 15.127 24.600 1.00 20.01 C ATOM 2249 CD1 ILE A 145 2.612 13.490 22.408 1.00 17.41 C ATOM 0 H ILE A 145 -0.346 12.665 24.631 1.00 20.47 H new ATOM 0 HA ILE A 145 -1.314 15.305 24.207 1.00 19.79 H new ATOM 0 HB ILE A 145 0.644 15.399 22.583 1.00 19.06 H new ATOM 0 HG12 ILE A 145 1.105 12.581 23.616 1.00 18.09 H new ATOM 0 HG13 ILE A 145 0.581 12.983 21.993 1.00 18.09 H new ATOM 0 HG21 ILE A 145 2.341 15.270 24.365 1.00 20.01 H new ATOM 0 HG22 ILE A 145 0.856 16.073 24.929 1.00 20.01 H new ATOM 0 HG23 ILE A 145 1.188 14.388 25.395 1.00 20.01 H new ATOM 0 HD11 ILE A 145 2.985 12.531 22.050 1.00 17.41 H new ATOM 0 HD12 ILE A 145 2.680 14.227 21.608 1.00 17.41 H new ATOM 0 HD13 ILE A 145 3.212 13.819 23.256 1.00 17.41 H new ATOM 2261 N SER A 146 -2.222 13.088 22.104 1.00 18.76 N ATOM 2262 CA SER A 146 -2.979 12.827 20.884 1.00 18.09 C ATOM 2263 C SER A 146 -4.354 13.478 20.957 1.00 18.99 C ATOM 2264 O SER A 146 -4.846 14.031 19.972 1.00 18.73 O ATOM 2265 CB SER A 146 -3.135 11.322 20.656 1.00 17.78 C ATOM 2266 OG SER A 146 -3.843 11.060 19.458 1.00 17.22 O ATOM 0 H SER A 146 -2.121 12.281 22.719 1.00 18.76 H new ATOM 0 HA SER A 146 -2.426 13.256 20.048 1.00 18.09 H new ATOM 0 HB2 SER A 146 -2.152 10.854 20.611 1.00 17.78 H new ATOM 0 HB3 SER A 146 -3.662 10.876 21.499 1.00 17.78 H new ATOM 0 HG SER A 146 -3.928 10.092 19.334 1.00 17.22 H new ATOM 2272 N GLN A 147 -4.965 13.406 22.130 1.00 20.13 N ATOM 2273 CA GLN A 147 -6.287 13.979 22.343 1.00 21.14 C ATOM 2274 C GLN A 147 -6.182 15.382 22.924 1.00 21.86 C ATOM 2275 O GLN A 147 -6.847 16.312 22.468 1.00 22.11 O ATOM 2276 CB GLN A 147 -7.085 13.090 23.292 1.00 22.13 C ATOM 2277 CG GLN A 147 -6.680 11.630 23.228 1.00 21.65 C ATOM 2278 CD GLN A 147 -7.696 10.720 23.869 1.00 22.67 C ATOM 2279 OE1 GLN A 147 -8.621 10.236 23.217 1.00 22.79 O ATOM 2280 NE2 GLN A 147 -7.524 10.486 25.157 1.00 23.48 N ATOM 0 H GLN A 147 -4.565 12.955 22.953 1.00 20.13 H new ATOM 0 HA GLN A 147 -6.796 14.040 21.381 1.00 21.14 H new ATOM 0 HB2 GLN A 147 -6.956 13.451 24.312 1.00 22.13 H new ATOM 0 HB3 GLN A 147 -8.145 13.177 23.055 1.00 22.13 H new ATOM 0 HG2 GLN A 147 -6.543 11.340 22.186 1.00 21.65 H new ATOM 0 HG3 GLN A 147 -5.718 11.501 23.724 1.00 21.65 H new ATOM 0 HE21 GLN A 147 -6.741 10.912 25.653 1.00 23.48 H new ATOM 0 HE22 GLN A 147 -8.175 9.880 25.656 1.00 23.48 H new ATOM 2289 N LYS A 148 -5.336 15.521 23.938 1.00 22.30 N ATOM 2290 CA LYS A 148 -5.133 16.801 24.604 1.00 23.11 C ATOM 2291 C LYS A 148 -4.119 17.656 23.851 1.00 22.36 C ATOM 2292 O LYS A 148 -4.544 18.465 22.999 1.00 22.12 O ATOM 2293 CB LYS A 148 -4.661 16.565 26.039 1.00 24.04 C ATOM 2294 CG LYS A 148 -5.503 15.545 26.787 1.00 24.96 C ATOM 2295 CD LYS A 148 -4.727 14.906 27.926 1.00 25.58 C ATOM 2296 CE LYS A 148 -5.428 13.660 28.442 1.00 25.71 C ATOM 2297 NZ LYS A 148 -5.676 12.674 27.353 1.00 26.17 N ATOM 2298 OXT LYS A 148 -2.906 17.510 24.117 1.00 22.11 O ATOM 0 H LYS A 148 -4.777 14.758 24.318 1.00 22.30 H new ATOM 0 HA LYS A 148 -6.081 17.338 24.618 1.00 23.11 H new ATOM 0 HB2 LYS A 148 -3.624 16.229 26.023 1.00 24.04 H new ATOM 0 HB3 LYS A 148 -4.681 17.510 26.581 1.00 24.04 H new ATOM 0 HG2 LYS A 148 -6.396 16.029 27.181 1.00 24.96 H new ATOM 0 HG3 LYS A 148 -5.838 14.772 26.096 1.00 24.96 H new ATOM 0 HD2 LYS A 148 -3.725 14.647 27.585 1.00 25.58 H new ATOM 0 HD3 LYS A 148 -4.612 15.624 28.738 1.00 25.58 H new ATOM 0 HE2 LYS A 148 -4.821 13.197 29.220 1.00 25.71 H new ATOM 0 HE3 LYS A 148 -6.376 13.940 28.902 1.00 25.71 H new ATOM 0 HZ1 LYS A 148 -5.401 11.724 27.675 1.00 26.17 H new ATOM 0 HZ2 LYS A 148 -6.686 12.677 27.106 1.00 26.17 H new ATOM 0 HZ3 LYS A 148 -5.114 12.932 26.517 1.00 26.17 H new TER 2312 LYS A 148 HETATM 2313 CA CA A 149 13.081 7.203 30.777 1.00 27.20 CA HETATM 2314 CA CA A 150 3.134 2.803 32.241 1.00 27.86 CA