USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A -10 SER OG : rot 103:sc= 1.25 USER MOD Set 1.2: A -12 HIS : no HD1:sc= 1.07 K(o=2.3,f=-6.7!) USER MOD Set 2.1: A 15 THR OG1 : rot 144:sc= -0.846 USER MOD Set 2.2: A -11 HIS : no HD1:sc= 0.649 K(o=-0.2,f=-2.9!) USER MOD Single : A 5 THR OG1 : rot -90:sc= -0.0955 USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0491 USER MOD Single : A 9 ASN : amide:sc= 0.744 K(o=0.74,f=-0.77) USER MOD Single : A -2 GLN : amide:sc= -0.0765 X(o=-0.077,f=-0.14) USER MOD Single : A -9 SER OG : rot 170:sc= 0.217 USER MOD Single : A 11 GLN : amide:sc= -2.66! K(o=-2.7!,f=-1) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.33! C(o=-2.3!,f=-14!) USER MOD Single : A 23 ASN : amide:sc= -0.0707 K(o=-0.071,f=-1.4) USER MOD Single : A 29 ASN : amide:sc= -12.3! C(o=-12!,f=-7.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.687 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.037 (180deg=-0.334) USER MOD Single : A 38 HIS : no HE2:sc= 0.98 K(o=0.98,f=-3.9!) USER MOD Single : A 39 ASN : amide:sc= -0.719 K(o=-0.72,f=-0.027) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -100:sc= -0.542 USER MOD Single : A 46 MET CE :methyl 138:sc= -0.0596 (180deg=-0.374) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -14 HIS : no HD1:sc= -0.0701 X(o=-0.07,f=-0.2) USER MOD Single : A -15 HIS : no HE2:sc= 0.388 K(o=0.39,f=-2.1!) USER MOD Single : A -16 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ -170:sc= -0.0648 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 1.272 -6.065 -25.653 1.00 16.77 N ATOM 2 CA MET A -18 0.232 -5.628 -24.693 1.00 16.30 C ATOM 3 C MET A -18 -0.285 -6.796 -23.857 1.00 15.80 C ATOM 4 O MET A -18 -0.890 -6.592 -22.808 1.00 15.75 O ATOM 5 CB MET A -18 -0.937 -4.978 -25.433 1.00 16.41 C ATOM 6 CG MET A -18 -0.573 -3.693 -26.159 1.00 16.85 C ATOM 7 SD MET A -18 -0.022 -2.392 -25.040 1.00 17.18 S ATOM 8 CE MET A -18 0.273 -1.061 -26.204 1.00 17.45 C ATOM 0 H1 MET A -18 1.720 -5.231 -26.083 1.00 16.77 H new ATOM 0 H2 MET A -18 1.992 -6.626 -25.154 1.00 16.77 H new ATOM 0 H3 MET A -18 0.835 -6.646 -26.397 1.00 16.77 H new ATOM 0 HA MET A -18 0.692 -4.901 -24.024 1.00 16.30 H new ATOM 0 HB2 MET A -18 -1.337 -5.690 -26.155 1.00 16.41 H new ATOM 0 HB3 MET A -18 -1.733 -4.767 -24.719 1.00 16.41 H new ATOM 0 HG2 MET A -18 0.215 -3.901 -26.883 1.00 16.85 H new ATOM 0 HG3 MET A -18 -1.438 -3.341 -26.721 1.00 16.85 H new ATOM 0 HE1 MET A -18 0.621 -0.179 -25.667 1.00 17.45 H new ATOM 0 HE2 MET A -18 1.030 -1.369 -26.925 1.00 17.45 H new ATOM 0 HE3 MET A -18 -0.653 -0.825 -26.729 1.00 17.45 H new ATOM 20 N ALA A -17 -0.025 -8.021 -24.303 1.00 15.58 N ATOM 21 CA ALA A -17 -0.563 -9.201 -23.634 1.00 15.28 C ATOM 22 C ALA A -17 0.410 -9.763 -22.598 1.00 14.65 C ATOM 23 O ALA A -17 0.372 -10.951 -22.277 1.00 14.54 O ATOM 24 CB ALA A -17 -0.918 -10.268 -24.658 1.00 15.75 C ATOM 0 H ALA A -17 0.551 -8.222 -25.120 1.00 15.58 H new ATOM 0 HA ALA A -17 -1.465 -8.896 -23.104 1.00 15.28 H new ATOM 0 HB1 ALA A -17 -1.318 -11.144 -24.147 1.00 15.75 H new ATOM 0 HB2 ALA A -17 -1.666 -9.876 -25.347 1.00 15.75 H new ATOM 0 HB3 ALA A -17 -0.024 -10.550 -25.215 1.00 15.75 H new ATOM 30 N HIS A -16 1.282 -8.915 -22.074 1.00 14.40 N ATOM 31 CA HIS A -16 2.231 -9.343 -21.051 1.00 13.97 C ATOM 32 C HIS A -16 1.975 -8.600 -19.747 1.00 13.40 C ATOM 33 O HIS A -16 2.884 -8.405 -18.943 1.00 13.34 O ATOM 34 CB HIS A -16 3.681 -9.112 -21.500 1.00 14.30 C ATOM 35 CG HIS A -16 4.081 -9.883 -22.723 1.00 14.69 C ATOM 36 ND1 HIS A -16 4.811 -11.048 -22.674 1.00 15.06 N ATOM 37 CD2 HIS A -16 3.857 -9.639 -24.037 1.00 14.94 C ATOM 38 CE1 HIS A -16 5.019 -11.488 -23.901 1.00 15.50 C ATOM 39 NE2 HIS A -16 4.450 -10.651 -24.749 1.00 15.44 N ATOM 0 H HIS A -16 1.354 -7.932 -22.336 1.00 14.40 H new ATOM 0 HA HIS A -16 2.086 -10.412 -20.894 1.00 13.97 H new ATOM 0 HB2 HIS A -16 3.824 -8.049 -21.693 1.00 14.30 H new ATOM 0 HB3 HIS A -16 4.349 -9.380 -20.682 1.00 14.30 H new ATOM 0 HD2 HIS A -16 3.312 -8.802 -24.448 1.00 14.94 H new ATOM 0 HE1 HIS A -16 5.563 -12.382 -24.167 1.00 15.50 H new ATOM 0 HE2 HIS A -16 4.451 -10.742 -25.765 1.00 15.44 H new ATOM 48 N HIS A -15 0.733 -8.185 -19.541 1.00 13.18 N ATOM 49 CA HIS A -15 0.367 -7.445 -18.339 1.00 12.80 C ATOM 50 C HIS A -15 0.058 -8.394 -17.192 1.00 12.10 C ATOM 51 O HIS A -15 -0.508 -9.468 -17.393 1.00 12.11 O ATOM 52 CB HIS A -15 -0.829 -6.526 -18.597 1.00 13.32 C ATOM 53 CG HIS A -15 -0.464 -5.252 -19.291 1.00 13.69 C ATOM 54 ND1 HIS A -15 -0.856 -4.952 -20.577 1.00 14.05 N ATOM 55 CD2 HIS A -15 0.261 -4.192 -18.863 1.00 13.95 C ATOM 56 CE1 HIS A -15 -0.388 -3.765 -20.910 1.00 14.50 C ATOM 57 NE2 HIS A -15 0.293 -3.282 -19.889 1.00 14.45 N ATOM 0 H HIS A -15 -0.038 -8.347 -20.189 1.00 13.18 H new ATOM 0 HA HIS A -15 1.221 -6.827 -18.061 1.00 12.80 H new ATOM 0 HB2 HIS A -15 -1.564 -7.060 -19.198 1.00 13.32 H new ATOM 0 HB3 HIS A -15 -1.306 -6.289 -17.646 1.00 13.32 H new ATOM 0 HD1 HIS A -15 -1.420 -5.554 -21.177 1.00 14.05 H new ATOM 0 HD2 HIS A -15 0.727 -4.083 -17.895 1.00 13.95 H new ATOM 0 HE1 HIS A -15 -0.537 -3.271 -21.859 1.00 14.50 H new ATOM 66 N HIS A -14 0.441 -7.991 -15.994 1.00 11.67 N ATOM 67 CA HIS A -14 0.238 -8.800 -14.805 1.00 11.15 C ATOM 68 C HIS A -14 0.289 -7.917 -13.562 1.00 10.45 C ATOM 69 O HIS A -14 1.258 -7.189 -13.341 1.00 10.24 O ATOM 70 CB HIS A -14 1.284 -9.927 -14.724 1.00 11.34 C ATOM 71 CG HIS A -14 2.707 -9.458 -14.656 1.00 11.78 C ATOM 72 ND1 HIS A -14 3.476 -9.554 -13.517 1.00 12.06 N ATOM 73 CD2 HIS A -14 3.504 -8.900 -15.598 1.00 12.20 C ATOM 74 CE1 HIS A -14 4.681 -9.074 -13.760 1.00 12.61 C ATOM 75 NE2 HIS A -14 4.724 -8.672 -15.014 1.00 12.71 N ATOM 0 H HIS A -14 0.900 -7.097 -15.818 1.00 11.67 H new ATOM 0 HA HIS A -14 -0.746 -9.266 -14.861 1.00 11.15 H new ATOM 0 HB2 HIS A -14 1.074 -10.536 -13.845 1.00 11.34 H new ATOM 0 HB3 HIS A -14 1.170 -10.573 -15.594 1.00 11.34 H new ATOM 0 HD2 HIS A -14 3.230 -8.676 -16.618 1.00 12.20 H new ATOM 0 HE1 HIS A -14 5.494 -9.020 -13.051 1.00 12.61 H new ATOM 0 HE2 HIS A -14 5.534 -8.258 -15.476 1.00 12.71 H new ATOM 84 N HIS A -13 -0.763 -7.977 -12.760 1.00 10.29 N ATOM 85 CA HIS A -13 -0.879 -7.125 -11.583 1.00 9.83 C ATOM 86 C HIS A -13 -0.171 -7.739 -10.384 1.00 9.17 C ATOM 87 O HIS A -13 -0.810 -8.254 -9.464 1.00 9.24 O ATOM 88 CB HIS A -13 -2.350 -6.863 -11.246 1.00 10.33 C ATOM 89 CG HIS A -13 -3.028 -5.924 -12.195 1.00 10.72 C ATOM 90 ND1 HIS A -13 -3.807 -6.347 -13.251 1.00 11.23 N ATOM 91 CD2 HIS A -13 -3.045 -4.572 -12.237 1.00 10.91 C ATOM 92 CE1 HIS A -13 -4.271 -5.296 -13.899 1.00 11.69 C ATOM 93 NE2 HIS A -13 -3.825 -4.207 -13.305 1.00 11.52 N ATOM 0 H HIS A -13 -1.552 -8.608 -12.902 1.00 10.29 H new ATOM 0 HA HIS A -13 -0.396 -6.176 -11.816 1.00 9.83 H new ATOM 0 HB2 HIS A -13 -2.887 -7.812 -11.242 1.00 10.33 H new ATOM 0 HB3 HIS A -13 -2.415 -6.455 -10.237 1.00 10.33 H new ATOM 0 HD2 HIS A -13 -2.539 -3.904 -11.556 1.00 10.91 H new ATOM 0 HE1 HIS A -13 -4.909 -5.323 -14.770 1.00 11.69 H new ATOM 0 HE2 HIS A -13 -4.027 -3.249 -13.592 1.00 11.52 H new ATOM 102 N HIS A -12 1.151 -7.688 -10.400 1.00 8.78 N ATOM 103 CA HIS A -12 1.941 -8.164 -9.278 1.00 8.39 C ATOM 104 C HIS A -12 2.122 -7.027 -8.283 1.00 7.80 C ATOM 105 O HIS A -12 2.390 -5.891 -8.676 1.00 7.91 O ATOM 106 CB HIS A -12 3.305 -8.682 -9.745 1.00 8.72 C ATOM 107 CG HIS A -12 3.981 -9.574 -8.745 1.00 8.98 C ATOM 108 ND1 HIS A -12 4.969 -9.146 -7.882 1.00 9.31 N ATOM 109 CD2 HIS A -12 3.807 -10.891 -8.482 1.00 9.28 C ATOM 110 CE1 HIS A -12 5.370 -10.157 -7.137 1.00 9.77 C ATOM 111 NE2 HIS A -12 4.681 -11.226 -7.479 1.00 9.76 N ATOM 0 H HIS A -12 1.699 -7.321 -11.178 1.00 8.78 H new ATOM 0 HA HIS A -12 1.417 -8.993 -8.802 1.00 8.39 H new ATOM 0 HB2 HIS A -12 3.177 -9.229 -10.679 1.00 8.72 H new ATOM 0 HB3 HIS A -12 3.954 -7.832 -9.959 1.00 8.72 H new ATOM 0 HD2 HIS A -12 3.109 -11.555 -8.971 1.00 9.28 H new ATOM 0 HE1 HIS A -12 6.134 -10.116 -6.375 1.00 9.77 H new ATOM 0 HE2 HIS A -12 4.781 -12.153 -7.065 1.00 9.76 H new ATOM 120 N HIS A -11 1.971 -7.326 -7.004 1.00 7.48 N ATOM 121 CA HIS A -11 2.024 -6.298 -5.977 1.00 7.19 C ATOM 122 C HIS A -11 3.468 -5.896 -5.680 1.00 6.46 C ATOM 123 O HIS A -11 4.022 -6.235 -4.633 1.00 6.49 O ATOM 124 CB HIS A -11 1.328 -6.785 -4.704 1.00 7.84 C ATOM 125 CG HIS A -11 1.092 -5.697 -3.708 1.00 8.37 C ATOM 126 ND1 HIS A -11 1.722 -5.643 -2.487 1.00 8.98 N ATOM 127 CD2 HIS A -11 0.289 -4.610 -3.764 1.00 8.69 C ATOM 128 CE1 HIS A -11 1.318 -4.574 -1.834 1.00 9.59 C ATOM 129 NE2 HIS A -11 0.447 -3.927 -2.585 1.00 9.44 N ATOM 0 H HIS A -11 1.811 -8.270 -6.652 1.00 7.48 H new ATOM 0 HA HIS A -11 1.499 -5.417 -6.347 1.00 7.19 H new ATOM 0 HB2 HIS A -11 0.373 -7.238 -4.971 1.00 7.84 H new ATOM 0 HB3 HIS A -11 1.933 -7.566 -4.243 1.00 7.84 H new ATOM 0 HD2 HIS A -11 -0.356 -4.332 -4.584 1.00 8.69 H new ATOM 0 HE1 HIS A -11 1.645 -4.276 -0.849 1.00 9.59 H new ATOM 0 HE2 HIS A -11 -0.030 -3.062 -2.331 1.00 9.44 H new ATOM 138 N SER A -10 4.070 -5.175 -6.614 1.00 6.16 N ATOM 139 CA SER A -10 5.442 -4.713 -6.471 1.00 5.80 C ATOM 140 C SER A -10 5.572 -3.269 -6.949 1.00 5.14 C ATOM 141 O SER A -10 6.547 -2.908 -7.605 1.00 5.44 O ATOM 142 CB SER A -10 6.385 -5.612 -7.276 1.00 6.45 C ATOM 143 OG SER A -10 6.266 -6.969 -6.880 1.00 7.05 O ATOM 0 H SER A -10 3.624 -4.895 -7.488 1.00 6.16 H new ATOM 0 HA SER A -10 5.715 -4.759 -5.417 1.00 5.80 H new ATOM 0 HB2 SER A -10 6.160 -5.520 -8.339 1.00 6.45 H new ATOM 0 HB3 SER A -10 7.414 -5.280 -7.138 1.00 6.45 H new ATOM 0 HG SER A -10 5.736 -7.458 -7.544 1.00 7.05 H new ATOM 149 N SER A -9 4.586 -2.445 -6.624 1.00 4.65 N ATOM 150 CA SER A -9 4.586 -1.061 -7.077 1.00 4.40 C ATOM 151 C SER A -9 4.396 -0.095 -5.910 1.00 3.47 C ATOM 152 O SER A -9 3.288 0.069 -5.396 1.00 3.79 O ATOM 153 CB SER A -9 3.489 -0.846 -8.125 1.00 5.30 C ATOM 154 OG SER A -9 3.535 0.469 -8.657 1.00 6.01 O ATOM 0 H SER A -9 3.782 -2.707 -6.053 1.00 4.65 H new ATOM 0 HA SER A -9 5.556 -0.856 -7.529 1.00 4.40 H new ATOM 0 HB2 SER A -9 3.606 -1.571 -8.931 1.00 5.30 H new ATOM 0 HB3 SER A -9 2.513 -1.024 -7.675 1.00 5.30 H new ATOM 0 HG SER A -9 2.936 0.530 -9.430 1.00 6.01 H new ATOM 160 N GLY A -8 5.494 0.517 -5.481 1.00 2.88 N ATOM 161 CA GLY A -8 5.426 1.562 -4.477 1.00 2.53 C ATOM 162 C GLY A -8 5.209 1.038 -3.073 1.00 2.03 C ATOM 163 O GLY A -8 4.122 1.184 -2.510 1.00 2.46 O ATOM 0 H GLY A -8 6.435 0.306 -5.813 1.00 2.88 H new ATOM 0 HA2 GLY A -8 6.350 2.139 -4.502 1.00 2.53 H new ATOM 0 HA3 GLY A -8 4.616 2.246 -4.730 1.00 2.53 H new ATOM 167 N LEU A -7 6.235 0.425 -2.497 1.00 1.44 N ATOM 168 CA LEU A -7 6.152 -0.032 -1.118 1.00 1.02 C ATOM 169 C LEU A -7 7.258 0.596 -0.274 1.00 1.01 C ATOM 170 O LEU A -7 8.072 -0.100 0.336 1.00 1.40 O ATOM 171 CB LEU A -7 6.195 -1.565 -1.006 1.00 0.97 C ATOM 172 CG LEU A -7 5.214 -2.321 -1.907 1.00 1.54 C ATOM 173 CD1 LEU A -7 5.807 -2.546 -3.289 1.00 2.25 C ATOM 174 CD2 LEU A -7 4.819 -3.643 -1.274 1.00 2.06 C ATOM 0 H LEU A -7 7.125 0.235 -2.958 1.00 1.44 H new ATOM 0 HA LEU A -7 5.185 0.292 -0.733 1.00 1.02 H new ATOM 0 HB2 LEU A -7 7.206 -1.900 -1.238 1.00 0.97 H new ATOM 0 HB3 LEU A -7 5.997 -1.842 0.030 1.00 0.97 H new ATOM 0 HG LEU A -7 4.318 -1.710 -2.019 1.00 1.54 H new ATOM 0 HD11 LEU A -7 5.090 -3.085 -3.909 1.00 2.25 H new ATOM 0 HD12 LEU A -7 6.034 -1.584 -3.749 1.00 2.25 H new ATOM 0 HD13 LEU A -7 6.723 -3.131 -3.201 1.00 2.25 H new ATOM 0 HD21 LEU A -7 4.122 -4.166 -1.929 1.00 2.06 H new ATOM 0 HD22 LEU A -7 5.708 -4.256 -1.127 1.00 2.06 H new ATOM 0 HD23 LEU A -7 4.343 -3.458 -0.311 1.00 2.06 H new ATOM 186 N GLU A -6 7.280 1.925 -0.249 1.00 1.01 N ATOM 187 CA GLU A -6 8.174 2.657 0.636 1.00 1.15 C ATOM 188 C GLU A -6 7.557 3.996 1.039 1.00 1.03 C ATOM 189 O GLU A -6 7.741 5.015 0.368 1.00 1.77 O ATOM 190 CB GLU A -6 9.539 2.879 -0.013 1.00 1.65 C ATOM 191 CG GLU A -6 10.543 3.513 0.934 1.00 2.27 C ATOM 192 CD GLU A -6 11.912 3.678 0.319 1.00 2.92 C ATOM 193 OE1 GLU A -6 12.188 4.756 -0.245 1.00 3.35 O ATOM 194 OE2 GLU A -6 12.726 2.736 0.414 1.00 3.44 O ATOM 0 H GLU A -6 6.688 2.516 -0.833 1.00 1.01 H new ATOM 0 HA GLU A -6 8.319 2.053 1.532 1.00 1.15 H new ATOM 0 HB2 GLU A -6 9.930 1.924 -0.363 1.00 1.65 H new ATOM 0 HB3 GLU A -6 9.421 3.516 -0.890 1.00 1.65 H new ATOM 0 HG2 GLU A -6 10.172 4.489 1.248 1.00 2.27 H new ATOM 0 HG3 GLU A -6 10.625 2.899 1.831 1.00 2.27 H new ATOM 201 N VAL A -5 6.805 3.974 2.128 1.00 0.68 N ATOM 202 CA VAL A -5 6.199 5.176 2.685 1.00 0.59 C ATOM 203 C VAL A -5 6.381 5.163 4.204 1.00 0.89 C ATOM 204 O VAL A -5 5.944 4.236 4.886 1.00 1.67 O ATOM 205 CB VAL A -5 4.696 5.279 2.314 1.00 0.46 C ATOM 206 CG1 VAL A -5 3.945 4.039 2.736 1.00 0.71 C ATOM 207 CG2 VAL A -5 4.058 6.509 2.917 1.00 0.85 C ATOM 0 H VAL A -5 6.597 3.124 2.651 1.00 0.68 H new ATOM 0 HA VAL A -5 6.693 6.050 2.262 1.00 0.59 H new ATOM 0 HB VAL A -5 4.638 5.366 1.229 1.00 0.46 H new ATOM 0 HG11 VAL A -5 2.894 4.139 2.463 1.00 0.71 H new ATOM 0 HG12 VAL A -5 4.368 3.169 2.234 1.00 0.71 H new ATOM 0 HG13 VAL A -5 4.029 3.912 3.815 1.00 0.71 H new ATOM 0 HG21 VAL A -5 3.006 6.548 2.636 1.00 0.85 H new ATOM 0 HG22 VAL A -5 4.142 6.467 4.003 1.00 0.85 H new ATOM 0 HG23 VAL A -5 4.565 7.400 2.548 1.00 0.85 H new ATOM 217 N LEU A -4 7.058 6.171 4.724 1.00 0.83 N ATOM 218 CA LEU A -4 7.437 6.184 6.129 1.00 1.12 C ATOM 219 C LEU A -4 6.357 6.851 6.977 1.00 1.15 C ATOM 220 O LEU A -4 5.900 6.291 7.974 1.00 1.67 O ATOM 221 CB LEU A -4 8.778 6.916 6.293 1.00 1.58 C ATOM 222 CG LEU A -4 9.628 6.517 7.509 1.00 2.31 C ATOM 223 CD1 LEU A -4 11.000 7.160 7.415 1.00 3.12 C ATOM 224 CD2 LEU A -4 8.958 6.915 8.816 1.00 2.85 C ATOM 0 H LEU A -4 7.357 6.991 4.197 1.00 0.83 H new ATOM 0 HA LEU A -4 7.545 5.156 6.474 1.00 1.12 H new ATOM 0 HB2 LEU A -4 9.370 6.751 5.393 1.00 1.58 H new ATOM 0 HB3 LEU A -4 8.579 7.986 6.351 1.00 1.58 H new ATOM 0 HG LEU A -4 9.731 5.432 7.503 1.00 2.31 H new ATOM 0 HD11 LEU A -4 11.597 6.872 8.281 1.00 3.12 H new ATOM 0 HD12 LEU A -4 11.497 6.825 6.504 1.00 3.12 H new ATOM 0 HD13 LEU A -4 10.893 8.244 7.392 1.00 3.12 H new ATOM 0 HD21 LEU A -4 9.588 6.617 9.654 1.00 2.85 H new ATOM 0 HD22 LEU A -4 8.814 7.995 8.837 1.00 2.85 H new ATOM 0 HD23 LEU A -4 7.991 6.419 8.895 1.00 2.85 H new ATOM 236 N PHE A -3 5.940 8.037 6.564 1.00 1.03 N ATOM 237 CA PHE A -3 5.041 8.853 7.367 1.00 1.19 C ATOM 238 C PHE A -3 3.618 8.295 7.400 1.00 1.23 C ATOM 239 O PHE A -3 3.085 7.851 6.379 1.00 2.17 O ATOM 240 CB PHE A -3 5.034 10.306 6.862 1.00 1.32 C ATOM 241 CG PHE A -3 4.572 10.478 5.438 1.00 1.09 C ATOM 242 CD1 PHE A -3 5.418 10.189 4.379 1.00 1.05 C ATOM 243 CD2 PHE A -3 3.294 10.939 5.161 1.00 1.27 C ATOM 244 CE1 PHE A -3 4.997 10.356 3.072 1.00 1.10 C ATOM 245 CE2 PHE A -3 2.870 11.107 3.858 1.00 1.30 C ATOM 246 CZ PHE A -3 3.722 10.815 2.813 1.00 1.15 C ATOM 0 H PHE A -3 6.210 8.458 5.675 1.00 1.03 H new ATOM 0 HA PHE A -3 5.419 8.830 8.389 1.00 1.19 H new ATOM 0 HB2 PHE A -3 4.390 10.899 7.512 1.00 1.32 H new ATOM 0 HB3 PHE A -3 6.041 10.713 6.954 1.00 1.32 H new ATOM 0 HD1 PHE A -3 6.417 9.829 4.576 1.00 1.05 H new ATOM 0 HD2 PHE A -3 2.622 11.169 5.975 1.00 1.27 H new ATOM 0 HE1 PHE A -3 5.666 10.127 2.255 1.00 1.10 H new ATOM 0 HE2 PHE A -3 1.872 11.467 3.657 1.00 1.30 H new ATOM 0 HZ PHE A -3 3.391 10.946 1.793 1.00 1.15 H new ATOM 256 N GLN A -2 3.043 8.295 8.602 1.00 0.89 N ATOM 257 CA GLN A -2 1.622 8.011 8.819 1.00 0.86 C ATOM 258 C GLN A -2 1.210 6.624 8.332 1.00 1.00 C ATOM 259 O GLN A -2 0.502 6.502 7.332 1.00 1.69 O ATOM 260 CB GLN A -2 0.770 9.075 8.127 1.00 1.18 C ATOM 261 CG GLN A -2 1.043 10.484 8.622 1.00 1.89 C ATOM 262 CD GLN A -2 0.746 10.654 10.097 1.00 2.22 C ATOM 263 OE1 GLN A -2 1.611 10.448 10.946 1.00 2.74 O ATOM 264 NE2 GLN A -2 -0.480 11.031 10.413 1.00 2.71 N ATOM 0 H GLN A -2 3.554 8.494 9.462 1.00 0.89 H new ATOM 0 HA GLN A -2 1.455 8.033 9.896 1.00 0.86 H new ATOM 0 HB2 GLN A -2 0.952 9.034 7.053 1.00 1.18 H new ATOM 0 HB3 GLN A -2 -0.284 8.842 8.280 1.00 1.18 H new ATOM 0 HG2 GLN A -2 2.087 10.734 8.435 1.00 1.89 H new ATOM 0 HG3 GLN A -2 0.439 11.189 8.051 1.00 1.89 H new ATOM 0 HE21 GLN A -2 -1.169 11.192 9.679 1.00 2.71 H new ATOM 0 HE22 GLN A -2 -0.737 11.161 11.391 1.00 2.71 H new ATOM 273 N GLY A -1 1.633 5.584 9.041 1.00 0.85 N ATOM 274 CA GLY A -1 1.230 4.242 8.667 1.00 1.20 C ATOM 275 C GLY A -1 2.047 3.153 9.333 1.00 0.93 C ATOM 276 O GLY A -1 3.251 3.052 9.102 1.00 1.43 O ATOM 0 H GLY A -1 2.240 5.644 9.858 1.00 0.85 H new ATOM 0 HA2 GLY A -1 0.179 4.103 8.922 1.00 1.20 H new ATOM 0 HA3 GLY A -1 1.312 4.136 7.585 1.00 1.20 H new ATOM 280 N PRO A 0 1.410 2.326 10.176 1.00 0.95 N ATOM 281 CA PRO A 0 2.053 1.177 10.814 1.00 1.19 C ATOM 282 C PRO A 0 1.955 -0.100 9.968 1.00 1.08 C ATOM 283 O PRO A 0 1.889 -0.041 8.738 1.00 1.62 O ATOM 284 CB PRO A 0 1.240 1.037 12.098 1.00 1.86 C ATOM 285 CG PRO A 0 -0.141 1.451 11.714 1.00 2.08 C ATOM 286 CD PRO A 0 0.004 2.465 10.604 1.00 1.60 C ATOM 0 HA PRO A 0 3.123 1.320 10.965 1.00 1.19 H new ATOM 0 HB2 PRO A 0 1.258 0.012 12.469 1.00 1.86 H new ATOM 0 HB3 PRO A 0 1.638 1.670 12.891 1.00 1.86 H new ATOM 0 HG2 PRO A 0 -0.724 0.592 11.380 1.00 2.08 H new ATOM 0 HG3 PRO A 0 -0.667 1.882 12.566 1.00 2.08 H new ATOM 0 HD2 PRO A 0 -0.685 2.261 9.784 1.00 1.60 H new ATOM 0 HD3 PRO A 0 -0.209 3.475 10.955 1.00 1.60 H new ATOM 294 N ARG A 1 1.960 -1.252 10.635 1.00 1.01 N ATOM 295 CA ARG A 1 1.821 -2.543 9.966 1.00 1.19 C ATOM 296 C ARG A 1 0.650 -3.320 10.565 1.00 0.86 C ATOM 297 O ARG A 1 -0.087 -2.785 11.397 1.00 1.02 O ATOM 298 CB ARG A 1 3.112 -3.353 10.105 1.00 1.95 C ATOM 299 CG ARG A 1 4.302 -2.729 9.400 1.00 2.38 C ATOM 300 CD ARG A 1 5.595 -3.438 9.758 1.00 3.12 C ATOM 301 NE ARG A 1 5.893 -3.334 11.186 1.00 3.69 N ATOM 302 CZ ARG A 1 7.124 -3.319 11.693 1.00 4.54 C ATOM 303 NH1 ARG A 1 8.180 -3.445 10.899 1.00 4.90 N ATOM 304 NH2 ARG A 1 7.297 -3.187 13.002 1.00 5.35 N ATOM 0 H ARG A 1 2.060 -1.317 11.648 1.00 1.01 H new ATOM 0 HA ARG A 1 1.627 -2.370 8.907 1.00 1.19 H new ATOM 0 HB2 ARG A 1 3.347 -3.467 11.163 1.00 1.95 H new ATOM 0 HB3 ARG A 1 2.948 -4.354 9.705 1.00 1.95 H new ATOM 0 HG2 ARG A 1 4.150 -2.770 8.321 1.00 2.38 H new ATOM 0 HG3 ARG A 1 4.376 -1.676 9.672 1.00 2.38 H new ATOM 0 HD2 ARG A 1 5.523 -4.489 9.477 1.00 3.12 H new ATOM 0 HD3 ARG A 1 6.416 -3.010 9.183 1.00 3.12 H new ATOM 0 HE ARG A 1 5.108 -3.269 11.834 1.00 3.69 H new ATOM 0 HH11 ARG A 1 8.052 -3.554 9.893 1.00 4.90 H new ATOM 0 HH12 ARG A 1 9.120 -3.433 11.295 1.00 4.90 H new ATOM 0 HH21 ARG A 1 6.488 -3.097 13.617 1.00 5.35 H new ATOM 0 HH22 ARG A 1 8.239 -3.175 13.393 1.00 5.35 H new ATOM 318 N ARG A 2 0.471 -4.573 10.140 1.00 0.78 N ATOM 319 CA ARG A 2 -0.610 -5.412 10.667 1.00 0.56 C ATOM 320 C ARG A 2 -0.435 -6.875 10.226 1.00 0.65 C ATOM 321 O ARG A 2 -1.389 -7.655 10.216 1.00 1.49 O ATOM 322 CB ARG A 2 -1.975 -4.872 10.221 1.00 0.50 C ATOM 323 CG ARG A 2 -3.113 -5.277 11.124 1.00 0.88 C ATOM 324 CD ARG A 2 -4.400 -4.575 10.737 1.00 1.32 C ATOM 325 NE ARG A 2 -5.496 -4.892 11.650 1.00 1.72 N ATOM 326 CZ ARG A 2 -6.704 -4.335 11.584 1.00 2.37 C ATOM 327 NH1 ARG A 2 -6.965 -3.422 10.657 1.00 2.94 N ATOM 328 NH2 ARG A 2 -7.646 -4.688 12.446 1.00 2.90 N ATOM 0 H ARG A 2 1.055 -5.027 9.438 1.00 0.78 H new ATOM 0 HA ARG A 2 -0.565 -5.381 11.756 1.00 0.56 H new ATOM 0 HB2 ARG A 2 -1.928 -3.784 10.176 1.00 0.50 H new ATOM 0 HB3 ARG A 2 -2.182 -5.224 9.210 1.00 0.50 H new ATOM 0 HG2 ARG A 2 -3.255 -6.356 11.072 1.00 0.88 H new ATOM 0 HG3 ARG A 2 -2.863 -5.038 12.158 1.00 0.88 H new ATOM 0 HD2 ARG A 2 -4.236 -3.497 10.729 1.00 1.32 H new ATOM 0 HD3 ARG A 2 -4.679 -4.863 9.723 1.00 1.32 H new ATOM 0 HE ARG A 2 -5.326 -5.582 12.382 1.00 1.72 H new ATOM 0 HH11 ARG A 2 -6.240 -3.146 9.994 1.00 2.94 H new ATOM 0 HH12 ARG A 2 -7.890 -2.996 10.607 1.00 2.94 H new ATOM 0 HH21 ARG A 2 -7.447 -5.387 13.161 1.00 2.90 H new ATOM 0 HH22 ARG A 2 -8.571 -4.261 12.394 1.00 2.90 H new ATOM 342 N ALA A 3 0.801 -7.226 9.874 1.00 0.64 N ATOM 343 CA ALA A 3 1.183 -8.601 9.510 1.00 0.58 C ATOM 344 C ALA A 3 0.419 -9.163 8.302 1.00 0.60 C ATOM 345 O ALA A 3 0.746 -8.854 7.152 1.00 1.09 O ATOM 346 CB ALA A 3 1.050 -9.531 10.710 1.00 0.69 C ATOM 0 H ALA A 3 1.575 -6.564 9.831 1.00 0.64 H new ATOM 0 HA ALA A 3 2.228 -8.548 9.203 1.00 0.58 H new ATOM 0 HB1 ALA A 3 1.337 -10.542 10.420 1.00 0.69 H new ATOM 0 HB2 ALA A 3 1.701 -9.185 11.513 1.00 0.69 H new ATOM 0 HB3 ALA A 3 0.017 -9.532 11.057 1.00 0.69 H new ATOM 352 N GLY A 4 -0.594 -9.983 8.561 1.00 0.44 N ATOM 353 CA GLY A 4 -1.259 -10.714 7.496 1.00 0.52 C ATOM 354 C GLY A 4 -2.714 -10.307 7.313 1.00 0.39 C ATOM 355 O GLY A 4 -3.612 -11.127 7.496 1.00 0.54 O ATOM 0 H GLY A 4 -0.968 -10.155 9.494 1.00 0.44 H new ATOM 0 HA2 GLY A 4 -0.722 -10.552 6.561 1.00 0.52 H new ATOM 0 HA3 GLY A 4 -1.210 -11.782 7.710 1.00 0.52 H new ATOM 359 N THR A 5 -2.953 -9.048 6.971 1.00 0.26 N ATOM 360 CA THR A 5 -4.315 -8.556 6.775 1.00 0.18 C ATOM 361 C THR A 5 -4.658 -8.495 5.281 1.00 0.14 C ATOM 362 O THR A 5 -3.935 -9.053 4.464 1.00 0.15 O ATOM 363 CB THR A 5 -4.450 -7.163 7.431 1.00 0.25 C ATOM 364 OG1 THR A 5 -3.630 -7.128 8.600 1.00 0.38 O ATOM 365 CG2 THR A 5 -5.895 -6.863 7.837 1.00 0.34 C ATOM 0 H THR A 5 -2.225 -8.349 6.823 1.00 0.26 H new ATOM 0 HA THR A 5 -5.019 -9.241 7.246 1.00 0.18 H new ATOM 0 HB THR A 5 -4.138 -6.413 6.704 1.00 0.25 H new ATOM 0 HG1 THR A 5 -4.152 -7.426 9.374 1.00 0.38 H new ATOM 0 HG21 THR A 5 -5.947 -5.875 8.294 1.00 0.34 H new ATOM 0 HG22 THR A 5 -6.534 -6.888 6.954 1.00 0.34 H new ATOM 0 HG23 THR A 5 -6.235 -7.612 8.552 1.00 0.34 H new ATOM 373 N CYS A 6 -5.785 -7.868 4.942 1.00 0.15 N ATOM 374 CA CYS A 6 -6.172 -7.632 3.549 1.00 0.14 C ATOM 375 C CYS A 6 -6.321 -6.145 3.266 1.00 0.13 C ATOM 376 O CYS A 6 -6.668 -5.373 4.159 1.00 0.15 O ATOM 377 CB CYS A 6 -7.486 -8.341 3.267 1.00 0.17 C ATOM 378 SG CYS A 6 -8.738 -8.098 4.549 1.00 0.86 S ATOM 0 H CYS A 6 -6.455 -7.510 5.623 1.00 0.15 H new ATOM 0 HA CYS A 6 -5.389 -8.024 2.900 1.00 0.14 H new ATOM 0 HB2 CYS A 6 -7.881 -7.988 2.315 1.00 0.17 H new ATOM 0 HB3 CYS A 6 -7.295 -9.408 3.156 1.00 0.17 H new ATOM 0 HG CYS A 6 -9.823 -8.736 4.223 1.00 0.86 H new ATOM 384 N CYS A 7 -6.053 -5.738 2.022 1.00 0.12 N ATOM 385 CA CYS A 7 -6.106 -4.316 1.684 1.00 0.11 C ATOM 386 C CYS A 7 -7.552 -3.858 1.447 1.00 0.10 C ATOM 387 O CYS A 7 -8.273 -4.478 0.667 1.00 0.10 O ATOM 388 CB CYS A 7 -5.237 -3.974 0.450 1.00 0.14 C ATOM 389 SG CYS A 7 -5.273 -2.206 0.036 1.00 0.21 S ATOM 0 H CYS A 7 -5.803 -6.357 1.250 1.00 0.12 H new ATOM 0 HA CYS A 7 -5.697 -3.778 2.540 1.00 0.11 H new ATOM 0 HB2 CYS A 7 -4.208 -4.278 0.640 1.00 0.14 H new ATOM 0 HB3 CYS A 7 -5.586 -4.551 -0.406 1.00 0.14 H new ATOM 394 N ALA A 8 -7.951 -2.764 2.118 1.00 0.13 N ATOM 395 CA ALA A 8 -9.259 -2.104 1.929 1.00 0.17 C ATOM 396 C ALA A 8 -9.444 -1.544 0.515 1.00 0.21 C ATOM 397 O ALA A 8 -10.241 -0.633 0.295 1.00 0.31 O ATOM 398 CB ALA A 8 -9.423 -0.962 2.928 1.00 0.18 C ATOM 0 H ALA A 8 -7.367 -2.305 2.817 1.00 0.13 H new ATOM 0 HA ALA A 8 -10.016 -2.872 2.091 1.00 0.17 H new ATOM 0 HB1 ALA A 8 -10.391 -0.484 2.778 1.00 0.18 H new ATOM 0 HB2 ALA A 8 -9.366 -1.355 3.943 1.00 0.18 H new ATOM 0 HB3 ALA A 8 -8.630 -0.230 2.777 1.00 0.18 H new ATOM 404 N ASN A 9 -8.710 -2.095 -0.420 1.00 0.18 N ATOM 405 CA ASN A 9 -8.717 -1.639 -1.798 1.00 0.23 C ATOM 406 C ASN A 9 -8.294 -2.754 -2.749 1.00 0.24 C ATOM 407 O ASN A 9 -8.925 -2.958 -3.781 1.00 0.32 O ATOM 408 CB ASN A 9 -7.799 -0.423 -1.959 1.00 0.26 C ATOM 409 CG ASN A 9 -7.643 -0.002 -3.415 1.00 0.38 C ATOM 410 OD1 ASN A 9 -8.489 0.700 -3.968 1.00 0.53 O ATOM 411 ND2 ASN A 9 -6.538 -0.408 -4.032 1.00 0.57 N ATOM 0 H ASN A 9 -8.083 -2.881 -0.249 1.00 0.18 H new ATOM 0 HA ASN A 9 -9.736 -1.348 -2.053 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -8.201 0.411 -1.384 1.00 0.26 H new ATOM 0 HB3 ASN A 9 -6.818 -0.654 -1.543 1.00 0.26 H new ATOM 0 HD21 ASN A 9 -6.366 -0.138 -5.001 1.00 0.57 H new ATOM 0 HD22 ASN A 9 -5.862 -0.989 -3.537 1.00 0.57 H new ATOM 418 N CYS A 10 -7.240 -3.496 -2.396 1.00 0.21 N ATOM 419 CA CYS A 10 -6.722 -4.516 -3.301 1.00 0.28 C ATOM 420 C CYS A 10 -7.038 -5.930 -2.810 1.00 0.22 C ATOM 421 O CYS A 10 -6.839 -6.902 -3.538 1.00 0.31 O ATOM 422 CB CYS A 10 -5.206 -4.362 -3.498 1.00 0.52 C ATOM 423 SG CYS A 10 -4.655 -2.669 -3.718 1.00 0.76 S ATOM 0 H CYS A 10 -6.741 -3.411 -1.510 1.00 0.21 H new ATOM 0 HA CYS A 10 -7.222 -4.369 -4.258 1.00 0.28 H new ATOM 0 HB2 CYS A 10 -4.695 -4.788 -2.635 1.00 0.52 H new ATOM 0 HB3 CYS A 10 -4.904 -4.945 -4.368 1.00 0.52 H new ATOM 428 N GLN A 11 -7.554 -6.030 -1.579 1.00 0.18 N ATOM 429 CA GLN A 11 -7.754 -7.305 -0.884 1.00 0.21 C ATOM 430 C GLN A 11 -6.543 -8.248 -0.959 1.00 0.26 C ATOM 431 O GLN A 11 -6.662 -9.439 -0.666 1.00 0.34 O ATOM 432 CB GLN A 11 -9.012 -8.003 -1.403 1.00 0.24 C ATOM 433 CG GLN A 11 -10.285 -7.655 -0.636 1.00 0.74 C ATOM 434 CD GLN A 11 -10.697 -6.194 -0.741 1.00 1.26 C ATOM 435 OE1 GLN A 11 -11.285 -5.644 0.189 1.00 1.77 O ATOM 436 NE2 GLN A 11 -10.426 -5.558 -1.873 1.00 1.90 N ATOM 0 H GLN A 11 -7.847 -5.220 -1.033 1.00 0.18 H new ATOM 0 HA GLN A 11 -7.879 -7.060 0.171 1.00 0.21 H new ATOM 0 HB2 GLN A 11 -9.151 -7.743 -2.452 1.00 0.24 H new ATOM 0 HB3 GLN A 11 -8.859 -9.081 -1.360 1.00 0.24 H new ATOM 0 HG2 GLN A 11 -11.100 -8.278 -1.005 1.00 0.74 H new ATOM 0 HG3 GLN A 11 -10.143 -7.906 0.415 1.00 0.74 H new ATOM 0 HE21 GLN A 11 -9.937 -6.042 -2.626 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -10.707 -4.585 -1.991 1.00 1.90 H new ATOM 445 N THR A 12 -5.386 -7.719 -1.345 1.00 0.25 N ATOM 446 CA THR A 12 -4.152 -8.466 -1.287 1.00 0.26 C ATOM 447 C THR A 12 -3.795 -8.711 0.162 1.00 0.21 C ATOM 448 O THR A 12 -4.145 -7.923 1.045 1.00 0.19 O ATOM 449 CB THR A 12 -2.978 -7.740 -1.998 1.00 0.28 C ATOM 450 OG1 THR A 12 -1.909 -8.664 -2.228 1.00 0.33 O ATOM 451 CG2 THR A 12 -2.444 -6.572 -1.167 1.00 0.24 C ATOM 0 H THR A 12 -5.286 -6.769 -1.702 1.00 0.25 H new ATOM 0 HA THR A 12 -4.309 -9.407 -1.813 1.00 0.26 H new ATOM 0 HB THR A 12 -3.359 -7.348 -2.941 1.00 0.28 H new ATOM 0 HG1 THR A 12 -1.170 -8.204 -2.678 1.00 0.33 H new ATOM 0 HG21 THR A 12 -1.624 -6.091 -1.700 1.00 0.24 H new ATOM 0 HG22 THR A 12 -3.242 -5.849 -1.001 1.00 0.24 H new ATOM 0 HG23 THR A 12 -2.085 -6.943 -0.207 1.00 0.24 H new ATOM 459 N THR A 13 -3.120 -9.804 0.391 1.00 0.22 N ATOM 460 CA THR A 13 -2.707 -10.185 1.720 1.00 0.23 C ATOM 461 C THR A 13 -1.223 -10.470 1.723 1.00 0.26 C ATOM 462 O THR A 13 -0.690 -11.134 2.613 1.00 0.42 O ATOM 463 CB THR A 13 -3.503 -11.400 2.225 1.00 0.28 C ATOM 464 OG1 THR A 13 -3.470 -12.454 1.250 1.00 0.33 O ATOM 465 CG2 THR A 13 -4.941 -10.997 2.498 1.00 0.28 C ATOM 0 H THR A 13 -2.839 -10.459 -0.338 1.00 0.22 H new ATOM 0 HA THR A 13 -2.913 -9.360 2.402 1.00 0.23 H new ATOM 0 HB THR A 13 -3.049 -11.759 3.149 1.00 0.28 H new ATOM 0 HG1 THR A 13 -3.978 -13.223 1.582 1.00 0.33 H new ATOM 0 HG21 THR A 13 -5.500 -11.862 2.855 1.00 0.28 H new ATOM 0 HG22 THR A 13 -4.962 -10.213 3.255 1.00 0.28 H new ATOM 0 HG23 THR A 13 -5.395 -10.626 1.579 1.00 0.28 H new ATOM 473 N THR A 14 -0.564 -9.957 0.703 1.00 0.22 N ATOM 474 CA THR A 14 0.879 -10.020 0.629 1.00 0.26 C ATOM 475 C THR A 14 1.437 -8.592 0.623 1.00 0.23 C ATOM 476 O THR A 14 1.714 -7.990 -0.415 1.00 0.36 O ATOM 477 CB THR A 14 1.401 -10.870 -0.572 1.00 0.38 C ATOM 478 OG1 THR A 14 2.816 -11.062 -0.450 1.00 1.26 O ATOM 479 CG2 THR A 14 1.097 -10.257 -1.937 1.00 1.04 C ATOM 0 H THR A 14 -1.008 -9.491 -0.088 1.00 0.22 H new ATOM 0 HA THR A 14 1.245 -10.546 1.511 1.00 0.26 H new ATOM 0 HB THR A 14 0.870 -11.821 -0.526 1.00 0.38 H new ATOM 0 HG1 THR A 14 3.140 -11.597 -1.205 1.00 1.26 H new ATOM 0 HG21 THR A 14 1.490 -10.903 -2.722 1.00 1.04 H new ATOM 0 HG22 THR A 14 0.019 -10.154 -2.058 1.00 1.04 H new ATOM 0 HG23 THR A 14 1.565 -9.275 -2.007 1.00 1.04 H new ATOM 487 N THR A 15 1.542 -8.028 1.811 1.00 0.17 N ATOM 488 CA THR A 15 1.991 -6.647 1.959 1.00 0.17 C ATOM 489 C THR A 15 2.710 -6.454 3.292 1.00 0.20 C ATOM 490 O THR A 15 2.218 -6.871 4.342 1.00 0.26 O ATOM 491 CB THR A 15 0.830 -5.623 1.825 1.00 0.20 C ATOM 492 OG1 THR A 15 0.132 -5.837 0.594 1.00 0.40 O ATOM 493 CG2 THR A 15 1.386 -4.215 1.843 1.00 0.29 C ATOM 0 H THR A 15 1.324 -8.499 2.689 1.00 0.17 H new ATOM 0 HA THR A 15 2.687 -6.456 1.142 1.00 0.17 H new ATOM 0 HB THR A 15 0.143 -5.756 2.661 1.00 0.20 H new ATOM 0 HG1 THR A 15 -0.824 -5.669 0.727 1.00 0.40 H new ATOM 0 HG21 THR A 15 0.569 -3.500 1.749 1.00 0.29 H new ATOM 0 HG22 THR A 15 1.912 -4.043 2.782 1.00 0.29 H new ATOM 0 HG23 THR A 15 2.078 -4.087 1.011 1.00 0.29 H new ATOM 501 N THR A 16 3.888 -5.845 3.239 1.00 0.25 N ATOM 502 CA THR A 16 4.706 -5.653 4.428 1.00 0.31 C ATOM 503 C THR A 16 4.313 -4.378 5.186 1.00 0.25 C ATOM 504 O THR A 16 4.720 -4.176 6.330 1.00 0.30 O ATOM 505 CB THR A 16 6.202 -5.613 4.051 1.00 0.43 C ATOM 506 OG1 THR A 16 6.481 -6.670 3.121 1.00 0.51 O ATOM 507 CG2 THR A 16 7.087 -5.782 5.278 1.00 0.54 C ATOM 0 H THR A 16 4.299 -5.475 2.382 1.00 0.25 H new ATOM 0 HA THR A 16 4.529 -6.500 5.091 1.00 0.31 H new ATOM 0 HB THR A 16 6.417 -4.642 3.604 1.00 0.43 H new ATOM 0 HG1 THR A 16 7.430 -6.649 2.876 1.00 0.51 H new ATOM 0 HG21 THR A 16 8.134 -5.749 4.978 1.00 0.54 H new ATOM 0 HG22 THR A 16 6.886 -4.977 5.985 1.00 0.54 H new ATOM 0 HG23 THR A 16 6.875 -6.741 5.751 1.00 0.54 H new ATOM 515 N LEU A 17 3.497 -3.531 4.565 1.00 0.21 N ATOM 516 CA LEU A 17 3.079 -2.281 5.232 1.00 0.21 C ATOM 517 C LEU A 17 1.567 -2.121 5.194 1.00 0.18 C ATOM 518 O LEU A 17 0.989 -1.903 4.129 1.00 0.29 O ATOM 519 CB LEU A 17 3.716 -1.038 4.585 1.00 0.35 C ATOM 520 CG LEU A 17 3.850 0.169 5.529 1.00 0.45 C ATOM 521 CD1 LEU A 17 4.546 -0.230 6.823 1.00 0.79 C ATOM 522 CD2 LEU A 17 4.620 1.295 4.863 1.00 0.76 C ATOM 0 H LEU A 17 3.116 -3.671 3.629 1.00 0.21 H new ATOM 0 HA LEU A 17 3.421 -2.358 6.264 1.00 0.21 H new ATOM 0 HB2 LEU A 17 4.705 -1.304 4.212 1.00 0.35 H new ATOM 0 HB3 LEU A 17 3.118 -0.745 3.722 1.00 0.35 H new ATOM 0 HG LEU A 17 2.844 0.519 5.761 1.00 0.45 H new ATOM 0 HD11 LEU A 17 4.629 0.640 7.475 1.00 0.79 H new ATOM 0 HD12 LEU A 17 3.966 -1.005 7.324 1.00 0.79 H new ATOM 0 HD13 LEU A 17 5.542 -0.611 6.598 1.00 0.79 H new ATOM 0 HD21 LEU A 17 4.701 2.137 5.551 1.00 0.76 H new ATOM 0 HD22 LEU A 17 5.618 0.946 4.597 1.00 0.76 H new ATOM 0 HD23 LEU A 17 4.095 1.612 3.962 1.00 0.76 H new ATOM 534 N TRP A 18 0.929 -2.240 6.349 1.00 0.13 N ATOM 535 CA TRP A 18 -0.488 -1.994 6.454 1.00 0.11 C ATOM 536 C TRP A 18 -0.768 -0.663 7.154 1.00 0.12 C ATOM 537 O TRP A 18 -0.850 -0.594 8.381 1.00 0.18 O ATOM 538 CB TRP A 18 -1.154 -3.131 7.218 1.00 0.11 C ATOM 539 CG TRP A 18 -0.981 -4.463 6.567 1.00 0.10 C ATOM 540 CD1 TRP A 18 -0.055 -5.406 6.879 1.00 0.12 C ATOM 541 CD2 TRP A 18 -1.757 -5.005 5.490 1.00 0.08 C ATOM 542 NE1 TRP A 18 -0.218 -6.496 6.085 1.00 0.12 N ATOM 543 CE2 TRP A 18 -1.250 -6.280 5.224 1.00 0.09 C ATOM 544 CE3 TRP A 18 -2.833 -4.541 4.731 1.00 0.09 C ATOM 545 CZ2 TRP A 18 -1.773 -7.103 4.240 1.00 0.09 C ATOM 546 CZ3 TRP A 18 -3.365 -5.357 3.751 1.00 0.09 C ATOM 547 CH2 TRP A 18 -2.846 -6.621 3.512 1.00 0.08 C ATOM 0 H TRP A 18 1.378 -2.507 7.225 1.00 0.13 H new ATOM 0 HA TRP A 18 -0.900 -1.941 5.446 1.00 0.11 H new ATOM 0 HB2 TRP A 18 -0.742 -3.171 8.226 1.00 0.11 H new ATOM 0 HB3 TRP A 18 -2.219 -2.918 7.316 1.00 0.11 H new ATOM 0 HD1 TRP A 18 0.699 -5.304 7.645 1.00 0.12 H new ATOM 0 HE1 TRP A 18 0.346 -7.345 6.127 1.00 0.12 H new ATOM 0 HE3 TRP A 18 -3.244 -3.558 4.907 1.00 0.09 H new ATOM 0 HZ2 TRP A 18 -1.359 -8.082 4.049 1.00 0.09 H new ATOM 0 HZ3 TRP A 18 -4.199 -5.005 3.161 1.00 0.09 H new ATOM 0 HH2 TRP A 18 -3.287 -7.239 2.744 1.00 0.08 H new ATOM 558 N ARG A 19 -0.946 0.374 6.356 1.00 0.12 N ATOM 559 CA ARG A 19 -1.329 1.710 6.852 1.00 0.13 C ATOM 560 C ARG A 19 -2.853 1.799 6.962 1.00 0.13 C ATOM 561 O ARG A 19 -3.554 0.878 6.545 1.00 0.15 O ATOM 562 CB ARG A 19 -0.778 2.779 5.889 1.00 0.19 C ATOM 563 CG ARG A 19 -0.009 2.179 4.720 1.00 0.28 C ATOM 564 CD ARG A 19 1.040 3.137 4.144 1.00 0.29 C ATOM 565 NE ARG A 19 2.047 3.489 5.147 1.00 0.61 N ATOM 566 CZ ARG A 19 2.378 4.739 5.473 1.00 1.00 C ATOM 567 NH1 ARG A 19 1.722 5.769 4.949 1.00 2.03 N ATOM 568 NH2 ARG A 19 3.367 4.961 6.329 1.00 1.09 N ATOM 0 H ARG A 19 -0.832 0.328 5.343 1.00 0.12 H new ATOM 0 HA ARG A 19 -0.907 1.881 7.843 1.00 0.13 H new ATOM 0 HB2 ARG A 19 -1.605 3.377 5.506 1.00 0.19 H new ATOM 0 HB3 ARG A 19 -0.124 3.455 6.440 1.00 0.19 H new ATOM 0 HG2 ARG A 19 0.483 1.263 5.047 1.00 0.28 H new ATOM 0 HG3 ARG A 19 -0.711 1.901 3.934 1.00 0.28 H new ATOM 0 HD2 ARG A 19 1.526 2.674 3.285 1.00 0.29 H new ATOM 0 HD3 ARG A 19 0.550 4.042 3.784 1.00 0.29 H new ATOM 0 HE ARG A 19 2.527 2.728 5.628 1.00 0.61 H new ATOM 0 HH11 ARG A 19 0.959 5.607 4.292 1.00 2.03 H new ATOM 0 HH12 ARG A 19 1.982 6.722 5.204 1.00 2.03 H new ATOM 0 HH21 ARG A 19 3.874 4.176 6.737 1.00 1.09 H new ATOM 0 HH22 ARG A 19 3.621 5.917 6.579 1.00 1.09 H new ATOM 582 N ARG A 20 -3.367 2.870 7.562 1.00 0.15 N ATOM 583 CA ARG A 20 -4.805 3.055 7.678 1.00 0.17 C ATOM 584 C ARG A 20 -5.334 4.013 6.622 1.00 0.19 C ATOM 585 O ARG A 20 -4.642 4.946 6.211 1.00 0.25 O ATOM 586 CB ARG A 20 -5.180 3.605 9.053 1.00 0.28 C ATOM 587 CG ARG A 20 -5.055 2.622 10.197 1.00 1.13 C ATOM 588 CD ARG A 20 -5.161 1.172 9.754 1.00 1.98 C ATOM 589 NE ARG A 20 -5.038 0.259 10.890 1.00 2.63 N ATOM 590 CZ ARG A 20 -4.007 -0.561 11.094 1.00 3.24 C ATOM 591 NH1 ARG A 20 -3.011 -0.626 10.216 1.00 3.59 N ATOM 592 NH2 ARG A 20 -3.975 -1.317 12.181 1.00 3.90 N ATOM 0 H ARG A 20 -2.809 3.618 7.973 1.00 0.15 H new ATOM 0 HA ARG A 20 -5.255 2.073 7.535 1.00 0.17 H new ATOM 0 HB2 ARG A 20 -4.549 4.468 9.266 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -6.208 3.964 9.015 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -4.098 2.774 10.695 1.00 1.13 H new ATOM 0 HG3 ARG A 20 -5.833 2.829 10.932 1.00 1.13 H new ATOM 0 HD2 ARG A 20 -6.117 1.010 9.257 1.00 1.98 H new ATOM 0 HD3 ARG A 20 -4.381 0.955 9.024 1.00 1.98 H new ATOM 0 HE ARG A 20 -5.794 0.249 11.574 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -3.031 -0.045 9.378 1.00 3.59 H new ATOM 0 HH12 ARG A 20 -2.226 -1.256 10.381 1.00 3.59 H new ATOM 0 HH21 ARG A 20 -4.737 -1.270 12.857 1.00 3.90 H new ATOM 0 HH22 ARG A 20 -3.188 -1.946 12.342 1.00 3.90 H new ATOM 606 N ASN A 21 -6.571 3.780 6.195 1.00 0.18 N ATOM 607 CA ASN A 21 -7.261 4.736 5.325 1.00 0.18 C ATOM 608 C ASN A 21 -8.093 5.696 6.194 1.00 0.17 C ATOM 609 O ASN A 21 -8.014 5.592 7.421 1.00 0.17 O ATOM 610 CB ASN A 21 -8.141 4.052 4.242 1.00 0.19 C ATOM 611 CG ASN A 21 -9.501 3.539 4.733 1.00 0.17 C ATOM 612 OD1 ASN A 21 -9.992 3.914 5.796 1.00 0.18 O ATOM 613 ND2 ASN A 21 -10.148 2.685 3.952 1.00 0.20 N ATOM 0 H ASN A 21 -7.114 2.949 6.431 1.00 0.18 H new ATOM 0 HA ASN A 21 -6.503 5.295 4.775 1.00 0.18 H new ATOM 0 HB2 ASN A 21 -8.309 4.762 3.432 1.00 0.19 H new ATOM 0 HB3 ASN A 21 -7.585 3.214 3.821 1.00 0.19 H new ATOM 0 HD21 ASN A 21 -11.063 2.332 4.231 1.00 0.20 H new ATOM 0 HD22 ASN A 21 -9.730 2.381 3.072 1.00 0.20 H new ATOM 620 N ALA A 22 -8.944 6.553 5.596 1.00 0.19 N ATOM 621 CA ALA A 22 -9.636 7.621 6.339 1.00 0.24 C ATOM 622 C ALA A 22 -10.448 7.119 7.544 1.00 0.26 C ATOM 623 O ALA A 22 -10.678 7.870 8.492 1.00 0.36 O ATOM 624 CB ALA A 22 -10.554 8.390 5.407 1.00 0.29 C ATOM 0 H ALA A 22 -9.168 6.525 4.601 1.00 0.19 H new ATOM 0 HA ALA A 22 -8.851 8.265 6.735 1.00 0.24 H new ATOM 0 HB1 ALA A 22 -11.062 9.177 5.964 1.00 0.29 H new ATOM 0 HB2 ALA A 22 -9.967 8.835 4.603 1.00 0.29 H new ATOM 0 HB3 ALA A 22 -11.294 7.711 4.983 1.00 0.29 H new ATOM 630 N ASN A 23 -10.861 5.861 7.521 1.00 0.25 N ATOM 631 CA ASN A 23 -11.729 5.325 8.558 1.00 0.33 C ATOM 632 C ASN A 23 -10.887 4.528 9.535 1.00 0.24 C ATOM 633 O ASN A 23 -11.362 4.038 10.560 1.00 0.35 O ATOM 634 CB ASN A 23 -12.806 4.441 7.937 1.00 0.51 C ATOM 635 CG ASN A 23 -13.871 3.993 8.943 1.00 0.85 C ATOM 636 OD1 ASN A 23 -14.046 4.624 9.986 1.00 1.16 O ATOM 637 ND2 ASN A 23 -14.636 2.943 8.632 1.00 1.61 N ATOM 0 H ASN A 23 -10.609 5.191 6.794 1.00 0.25 H new ATOM 0 HA ASN A 23 -12.223 6.141 9.085 1.00 0.33 H new ATOM 0 HB2 ASN A 23 -13.288 4.984 7.124 1.00 0.51 H new ATOM 0 HB3 ASN A 23 -12.336 3.561 7.498 1.00 0.51 H new ATOM 0 HD21 ASN A 23 -15.382 2.650 9.263 1.00 1.61 H new ATOM 0 HD22 ASN A 23 -14.474 2.434 7.763 1.00 1.61 H new ATOM 644 N GLY A 24 -9.612 4.426 9.209 1.00 0.17 N ATOM 645 CA GLY A 24 -8.714 3.640 10.002 1.00 0.20 C ATOM 646 C GLY A 24 -8.675 2.214 9.521 1.00 0.18 C ATOM 647 O GLY A 24 -8.390 1.297 10.289 1.00 0.22 O ATOM 0 H GLY A 24 -9.185 4.880 8.401 1.00 0.17 H new ATOM 0 HA2 GLY A 24 -7.713 4.070 9.958 1.00 0.20 H new ATOM 0 HA3 GLY A 24 -9.027 3.667 11.046 1.00 0.20 H new ATOM 651 N ASP A 25 -8.962 2.026 8.240 1.00 0.15 N ATOM 652 CA ASP A 25 -9.010 0.705 7.670 1.00 0.16 C ATOM 653 C ASP A 25 -7.627 0.305 7.205 1.00 0.16 C ATOM 654 O ASP A 25 -6.777 1.152 6.962 1.00 0.26 O ATOM 655 CB ASP A 25 -9.948 0.663 6.472 1.00 0.20 C ATOM 656 CG ASP A 25 -11.350 1.165 6.769 1.00 0.63 C ATOM 657 OD1 ASP A 25 -11.963 1.794 5.884 1.00 1.27 O ATOM 658 OD2 ASP A 25 -11.832 0.967 7.908 1.00 0.71 O ATOM 0 H ASP A 25 -9.164 2.779 7.582 1.00 0.15 H new ATOM 0 HA ASP A 25 -9.373 0.019 8.436 1.00 0.16 H new ATOM 0 HB2 ASP A 25 -9.521 1.262 5.668 1.00 0.20 H new ATOM 0 HB3 ASP A 25 -10.010 -0.362 6.107 1.00 0.20 H new ATOM 663 N PRO A 26 -7.403 -0.988 7.060 1.00 0.11 N ATOM 664 CA PRO A 26 -6.119 -1.529 6.636 1.00 0.10 C ATOM 665 C PRO A 26 -5.895 -1.399 5.129 1.00 0.08 C ATOM 666 O PRO A 26 -6.753 -1.774 4.331 1.00 0.11 O ATOM 667 CB PRO A 26 -6.210 -3.002 7.054 1.00 0.14 C ATOM 668 CG PRO A 26 -7.671 -3.324 7.083 1.00 0.21 C ATOM 669 CD PRO A 26 -8.406 -2.023 7.306 1.00 0.21 C ATOM 0 HA PRO A 26 -5.279 -0.996 7.082 1.00 0.10 H new ATOM 0 HB2 PRO A 26 -5.682 -3.643 6.348 1.00 0.14 H new ATOM 0 HB3 PRO A 26 -5.754 -3.161 8.031 1.00 0.14 H new ATOM 0 HG2 PRO A 26 -7.982 -3.787 6.147 1.00 0.21 H new ATOM 0 HG3 PRO A 26 -7.894 -4.034 7.879 1.00 0.21 H new ATOM 0 HD2 PRO A 26 -9.253 -1.924 6.627 1.00 0.21 H new ATOM 0 HD3 PRO A 26 -8.801 -1.959 8.320 1.00 0.21 H new ATOM 677 N VAL A 27 -4.737 -0.881 4.737 1.00 0.07 N ATOM 678 CA VAL A 27 -4.409 -0.747 3.310 1.00 0.08 C ATOM 679 C VAL A 27 -2.979 -1.158 3.055 1.00 0.10 C ATOM 680 O VAL A 27 -2.111 -0.994 3.910 1.00 0.11 O ATOM 681 CB VAL A 27 -4.632 0.672 2.692 1.00 0.10 C ATOM 682 CG1 VAL A 27 -6.046 0.832 2.177 1.00 0.12 C ATOM 683 CG2 VAL A 27 -4.327 1.817 3.644 1.00 0.12 C ATOM 0 H VAL A 27 -4.013 -0.548 5.373 1.00 0.07 H new ATOM 0 HA VAL A 27 -5.118 -1.410 2.815 1.00 0.08 H new ATOM 0 HB VAL A 27 -3.919 0.730 1.870 1.00 0.10 H new ATOM 0 HG11 VAL A 27 -6.168 1.829 1.754 1.00 0.12 H new ATOM 0 HG12 VAL A 27 -6.240 0.085 1.407 1.00 0.12 H new ATOM 0 HG13 VAL A 27 -6.750 0.698 2.998 1.00 0.12 H new ATOM 0 HG21 VAL A 27 -4.506 2.767 3.140 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -4.972 1.743 4.520 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -3.284 1.763 3.956 1.00 0.12 H new ATOM 693 N CYS A 28 -2.743 -1.693 1.863 1.00 0.12 N ATOM 694 CA CYS A 28 -1.434 -2.167 1.496 1.00 0.15 C ATOM 695 C CYS A 28 -0.536 -0.936 1.279 1.00 0.13 C ATOM 696 O CYS A 28 -1.082 0.152 1.069 1.00 0.15 O ATOM 697 CB CYS A 28 -1.578 -3.034 0.227 1.00 0.19 C ATOM 698 SG CYS A 28 -1.742 -2.122 -1.333 1.00 0.22 S ATOM 0 H CYS A 28 -3.451 -1.805 1.138 1.00 0.12 H new ATOM 0 HA CYS A 28 -0.977 -2.786 2.268 1.00 0.15 H new ATOM 0 HB2 CYS A 28 -0.709 -3.688 0.155 1.00 0.19 H new ATOM 0 HB3 CYS A 28 -2.451 -3.676 0.345 1.00 0.19 H new ATOM 703 N ASN A 29 0.807 -1.076 1.332 1.00 0.13 N ATOM 704 CA ASN A 29 1.706 0.083 1.282 1.00 0.17 C ATOM 705 C ASN A 29 1.281 1.072 0.209 1.00 0.15 C ATOM 706 O ASN A 29 1.133 2.248 0.494 1.00 0.16 O ATOM 707 CB ASN A 29 3.176 -0.352 1.094 1.00 0.27 C ATOM 708 CG ASN A 29 4.178 0.789 1.201 1.00 0.70 C ATOM 709 OD1 ASN A 29 5.225 0.630 1.823 1.00 1.52 O ATOM 710 ND2 ASN A 29 3.906 1.932 0.580 1.00 0.40 N ATOM 0 H ASN A 29 1.283 -1.975 1.409 1.00 0.13 H new ATOM 0 HA ASN A 29 1.634 0.592 2.243 1.00 0.17 H new ATOM 0 HB2 ASN A 29 3.419 -1.107 1.842 1.00 0.27 H new ATOM 0 HB3 ASN A 29 3.282 -0.825 0.118 1.00 0.27 H new ATOM 0 HD21 ASN A 29 4.574 2.702 0.613 1.00 0.40 H new ATOM 0 HD22 ASN A 29 3.029 2.039 0.070 1.00 0.40 H new ATOM 717 N ALA A 30 1.064 0.591 -1.002 1.00 0.17 N ATOM 718 CA ALA A 30 0.675 1.448 -2.110 1.00 0.18 C ATOM 719 C ALA A 30 -0.530 2.330 -1.800 1.00 0.20 C ATOM 720 O ALA A 30 -0.530 3.496 -2.139 1.00 0.19 O ATOM 721 CB ALA A 30 0.374 0.640 -3.343 1.00 0.21 C ATOM 0 H ALA A 30 1.151 -0.396 -1.245 1.00 0.17 H new ATOM 0 HA ALA A 30 1.532 2.098 -2.283 1.00 0.18 H new ATOM 0 HB1 ALA A 30 0.086 1.308 -4.155 1.00 0.21 H new ATOM 0 HB2 ALA A 30 1.260 0.077 -3.634 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -0.443 -0.051 -3.135 1.00 0.21 H new ATOM 727 N CYS A 31 -1.552 1.778 -1.162 1.00 0.26 N ATOM 728 CA CYS A 31 -2.793 2.527 -0.943 1.00 0.30 C ATOM 729 C CYS A 31 -2.678 3.488 0.221 1.00 0.32 C ATOM 730 O CYS A 31 -3.213 4.593 0.172 1.00 0.41 O ATOM 731 CB CYS A 31 -3.981 1.595 -0.793 1.00 0.34 C ATOM 732 SG CYS A 31 -4.190 0.561 -2.241 1.00 0.39 S ATOM 0 H CYS A 31 -1.554 0.828 -0.790 1.00 0.26 H new ATOM 0 HA CYS A 31 -2.966 3.134 -1.832 1.00 0.30 H new ATOM 0 HB2 CYS A 31 -3.843 0.967 0.087 1.00 0.34 H new ATOM 0 HB3 CYS A 31 -4.886 2.180 -0.629 1.00 0.34 H new ATOM 737 N GLY A 32 -1.964 3.084 1.251 1.00 0.28 N ATOM 738 CA GLY A 32 -1.664 4.018 2.327 1.00 0.29 C ATOM 739 C GLY A 32 -0.626 5.037 1.898 1.00 0.30 C ATOM 740 O GLY A 32 -0.587 6.144 2.407 1.00 0.46 O ATOM 0 H GLY A 32 -1.588 2.143 1.370 1.00 0.28 H new ATOM 0 HA2 GLY A 32 -2.576 4.531 2.631 1.00 0.29 H new ATOM 0 HA3 GLY A 32 -1.301 3.470 3.197 1.00 0.29 H new ATOM 744 N LEU A 33 0.231 4.650 0.967 1.00 0.19 N ATOM 745 CA LEU A 33 1.209 5.573 0.398 1.00 0.16 C ATOM 746 C LEU A 33 0.479 6.537 -0.507 1.00 0.14 C ATOM 747 O LEU A 33 0.666 7.748 -0.426 1.00 0.15 O ATOM 748 CB LEU A 33 2.290 4.811 -0.383 1.00 0.16 C ATOM 749 CG LEU A 33 3.470 5.619 -0.907 1.00 0.19 C ATOM 750 CD1 LEU A 33 4.721 4.754 -0.989 1.00 0.48 C ATOM 751 CD2 LEU A 33 3.155 6.129 -2.284 1.00 0.54 C ATOM 0 H LEU A 33 0.272 3.704 0.587 1.00 0.19 H new ATOM 0 HA LEU A 33 1.710 6.119 1.198 1.00 0.16 H new ATOM 0 HB2 LEU A 33 2.680 4.023 0.261 1.00 0.16 H new ATOM 0 HB3 LEU A 33 1.812 4.322 -1.232 1.00 0.16 H new ATOM 0 HG LEU A 33 3.648 6.448 -0.222 1.00 0.19 H new ATOM 0 HD11 LEU A 33 5.552 5.351 -1.366 1.00 0.48 H new ATOM 0 HD12 LEU A 33 4.967 4.375 0.003 1.00 0.48 H new ATOM 0 HD13 LEU A 33 4.541 3.917 -1.663 1.00 0.48 H new ATOM 0 HD21 LEU A 33 3.999 6.707 -2.660 1.00 0.54 H new ATOM 0 HD22 LEU A 33 2.967 5.287 -2.950 1.00 0.54 H new ATOM 0 HD23 LEU A 33 2.270 6.764 -2.243 1.00 0.54 H new ATOM 763 N TYR A 34 -0.401 5.987 -1.335 1.00 0.14 N ATOM 764 CA TYR A 34 -1.064 6.757 -2.340 1.00 0.16 C ATOM 765 C TYR A 34 -2.038 7.738 -1.721 1.00 0.13 C ATOM 766 O TYR A 34 -2.053 8.920 -2.069 1.00 0.15 O ATOM 767 CB TYR A 34 -1.800 5.829 -3.311 1.00 0.24 C ATOM 768 CG TYR A 34 -2.489 6.513 -4.454 1.00 0.25 C ATOM 769 CD1 TYR A 34 -3.765 7.013 -4.296 1.00 0.26 C ATOM 770 CD2 TYR A 34 -1.856 6.687 -5.673 1.00 0.30 C ATOM 771 CE1 TYR A 34 -4.401 7.672 -5.321 1.00 0.32 C ATOM 772 CE2 TYR A 34 -2.483 7.343 -6.711 1.00 0.35 C ATOM 773 CZ TYR A 34 -3.767 7.716 -6.597 1.00 0.36 C ATOM 774 OH TYR A 34 -4.386 8.494 -7.561 1.00 0.44 O ATOM 0 H TYR A 34 -0.663 5.001 -1.317 1.00 0.14 H new ATOM 0 HA TYR A 34 -0.310 7.325 -2.886 1.00 0.16 H new ATOM 0 HB2 TYR A 34 -1.085 5.113 -3.716 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -2.541 5.258 -2.751 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -4.273 6.885 -3.351 1.00 0.26 H new ATOM 0 HD2 TYR A 34 -0.856 6.303 -5.813 1.00 0.30 H new ATOM 0 HE1 TYR A 34 -5.359 8.145 -5.163 1.00 0.32 H new ATOM 0 HE2 TYR A 34 -1.939 7.557 -7.619 1.00 0.35 H new ATOM 0 HH TYR A 34 -3.870 8.455 -8.393 1.00 0.44 H new ATOM 784 N TYR A 35 -2.866 7.233 -0.820 1.00 0.14 N ATOM 785 CA TYR A 35 -3.826 8.072 -0.115 1.00 0.17 C ATOM 786 C TYR A 35 -3.132 9.202 0.632 1.00 0.16 C ATOM 787 O TYR A 35 -3.725 10.248 0.873 1.00 0.20 O ATOM 788 CB TYR A 35 -4.657 7.244 0.864 1.00 0.24 C ATOM 789 CG TYR A 35 -5.716 8.044 1.561 1.00 0.30 C ATOM 790 CD1 TYR A 35 -6.931 8.267 0.964 1.00 0.35 C ATOM 791 CD2 TYR A 35 -5.489 8.585 2.808 1.00 0.50 C ATOM 792 CE1 TYR A 35 -7.904 9.007 1.573 1.00 0.42 C ATOM 793 CE2 TYR A 35 -6.451 9.330 3.439 1.00 0.57 C ATOM 794 CZ TYR A 35 -7.666 9.544 2.819 1.00 0.45 C ATOM 795 OH TYR A 35 -8.637 10.294 3.441 1.00 0.57 O ATOM 0 H TYR A 35 -2.894 6.247 -0.559 1.00 0.14 H new ATOM 0 HA TYR A 35 -4.487 8.507 -0.865 1.00 0.17 H new ATOM 0 HB2 TYR A 35 -5.127 6.421 0.326 1.00 0.24 H new ATOM 0 HB3 TYR A 35 -3.995 6.801 1.609 1.00 0.24 H new ATOM 0 HD1 TYR A 35 -7.123 7.847 -0.012 1.00 0.35 H new ATOM 0 HD2 TYR A 35 -4.539 8.420 3.295 1.00 0.50 H new ATOM 0 HE1 TYR A 35 -8.852 9.170 1.082 1.00 0.42 H new ATOM 0 HE2 TYR A 35 -6.260 9.748 4.416 1.00 0.57 H new ATOM 0 HH TYR A 35 -8.308 10.597 4.313 1.00 0.57 H new ATOM 805 N LYS A 36 -1.881 9.009 0.987 1.00 0.15 N ATOM 806 CA LYS A 36 -1.169 10.034 1.713 1.00 0.21 C ATOM 807 C LYS A 36 -0.784 11.156 0.789 1.00 0.22 C ATOM 808 O LYS A 36 -0.824 12.331 1.151 1.00 0.32 O ATOM 809 CB LYS A 36 0.068 9.462 2.363 1.00 0.28 C ATOM 810 CG LYS A 36 -0.168 9.075 3.808 1.00 0.38 C ATOM 811 CD LYS A 36 -1.466 8.305 4.018 1.00 0.50 C ATOM 812 CE LYS A 36 -1.821 8.196 5.493 1.00 0.84 C ATOM 813 NZ LYS A 36 -2.149 9.520 6.088 1.00 1.23 N ATOM 0 H LYS A 36 -1.343 8.165 0.788 1.00 0.15 H new ATOM 0 HA LYS A 36 -1.828 10.422 2.490 1.00 0.21 H new ATOM 0 HB2 LYS A 36 0.397 8.586 1.804 1.00 0.28 H new ATOM 0 HB3 LYS A 36 0.874 10.194 2.312 1.00 0.28 H new ATOM 0 HG2 LYS A 36 0.668 8.468 4.156 1.00 0.38 H new ATOM 0 HG3 LYS A 36 -0.184 9.976 4.421 1.00 0.38 H new ATOM 0 HD2 LYS A 36 -2.275 8.803 3.484 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -1.370 7.306 3.592 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -2.671 7.525 5.612 1.00 0.84 H new ATOM 0 HE3 LYS A 36 -0.986 7.752 6.035 1.00 0.84 H new ATOM 0 HZ1 LYS A 36 -2.683 9.382 6.970 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -1.270 10.036 6.293 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -2.724 10.069 5.417 1.00 1.23 H new ATOM 827 N LEU A 37 -0.418 10.779 -0.412 1.00 0.20 N ATOM 828 CA LEU A 37 -0.022 11.738 -1.406 1.00 0.24 C ATOM 829 C LEU A 37 -1.249 12.458 -1.950 1.00 0.25 C ATOM 830 O LEU A 37 -1.246 13.673 -2.139 1.00 0.31 O ATOM 831 CB LEU A 37 0.693 11.045 -2.574 1.00 0.29 C ATOM 832 CG LEU A 37 1.572 9.862 -2.197 1.00 0.49 C ATOM 833 CD1 LEU A 37 1.910 9.047 -3.426 1.00 1.19 C ATOM 834 CD2 LEU A 37 2.850 10.306 -1.516 1.00 0.67 C ATOM 0 H LEU A 37 -0.387 9.808 -0.723 1.00 0.20 H new ATOM 0 HA LEU A 37 0.656 12.450 -0.936 1.00 0.24 H new ATOM 0 HB2 LEU A 37 -0.059 10.704 -3.286 1.00 0.29 H new ATOM 0 HB3 LEU A 37 1.308 11.783 -3.089 1.00 0.29 H new ATOM 0 HG LEU A 37 1.008 9.249 -1.494 1.00 0.49 H new ATOM 0 HD11 LEU A 37 2.539 8.204 -3.142 1.00 1.19 H new ATOM 0 HD12 LEU A 37 0.991 8.677 -3.881 1.00 1.19 H new ATOM 0 HD13 LEU A 37 2.443 9.672 -4.142 1.00 1.19 H new ATOM 0 HD21 LEU A 37 3.450 9.432 -1.263 1.00 0.67 H new ATOM 0 HD22 LEU A 37 3.415 10.952 -2.188 1.00 0.67 H new ATOM 0 HD23 LEU A 37 2.606 10.854 -0.606 1.00 0.67 H new ATOM 846 N HIS A 38 -2.306 11.684 -2.186 1.00 0.23 N ATOM 847 CA HIS A 38 -3.403 12.130 -3.036 1.00 0.28 C ATOM 848 C HIS A 38 -4.763 12.161 -2.334 1.00 0.30 C ATOM 849 O HIS A 38 -5.753 12.570 -2.934 1.00 0.37 O ATOM 850 CB HIS A 38 -3.465 11.223 -4.267 1.00 0.29 C ATOM 851 CG HIS A 38 -2.263 11.368 -5.158 1.00 0.35 C ATOM 852 ND1 HIS A 38 -1.890 10.430 -6.096 1.00 1.00 N ATOM 853 CD2 HIS A 38 -1.324 12.343 -5.217 1.00 1.02 C ATOM 854 CE1 HIS A 38 -0.772 10.820 -6.685 1.00 0.77 C ATOM 855 NE2 HIS A 38 -0.414 11.976 -6.172 1.00 0.69 N ATOM 0 H HIS A 38 -2.424 10.747 -1.801 1.00 0.23 H new ATOM 0 HA HIS A 38 -3.196 13.163 -3.315 1.00 0.28 H new ATOM 0 HB2 HIS A 38 -3.549 10.185 -3.944 1.00 0.29 H new ATOM 0 HB3 HIS A 38 -4.365 11.453 -4.838 1.00 0.29 H new ATOM 0 HD1 HIS A 38 -2.397 9.570 -6.304 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -1.298 13.243 -4.621 1.00 1.02 H new ATOM 0 HE1 HIS A 38 -0.243 10.280 -7.457 1.00 0.77 H new ATOM 864 N ASN A 39 -4.808 11.723 -1.075 1.00 0.26 N ATOM 865 CA ASN A 39 -6.055 11.727 -0.274 1.00 0.30 C ATOM 866 C ASN A 39 -7.153 10.889 -0.898 1.00 0.32 C ATOM 867 O ASN A 39 -8.337 11.144 -0.681 1.00 0.40 O ATOM 868 CB ASN A 39 -6.590 13.134 -0.104 1.00 0.39 C ATOM 869 CG ASN A 39 -5.944 13.945 1.023 1.00 1.01 C ATOM 870 OD1 ASN A 39 -5.802 15.163 0.899 1.00 1.57 O ATOM 871 ND2 ASN A 39 -5.562 13.314 2.139 1.00 1.87 N ATOM 0 H ASN A 39 -3.996 11.357 -0.577 1.00 0.26 H new ATOM 0 HA ASN A 39 -5.784 11.298 0.691 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -6.454 13.673 -1.042 1.00 0.39 H new ATOM 0 HB3 ASN A 39 -7.663 13.078 0.079 1.00 0.39 H new ATOM 0 HD21 ASN A 39 -5.145 13.842 2.906 1.00 1.87 H new ATOM 0 HD22 ASN A 39 -5.688 12.305 2.223 1.00 1.87 H new ATOM 878 N VAL A 40 -6.769 9.892 -1.654 1.00 0.30 N ATOM 879 CA VAL A 40 -7.726 8.925 -2.176 1.00 0.38 C ATOM 880 C VAL A 40 -7.087 7.564 -2.251 1.00 0.37 C ATOM 881 O VAL A 40 -5.863 7.451 -2.235 1.00 0.30 O ATOM 882 CB VAL A 40 -8.314 9.282 -3.561 1.00 0.45 C ATOM 883 CG1 VAL A 40 -9.612 10.040 -3.412 1.00 0.59 C ATOM 884 CG2 VAL A 40 -7.354 10.094 -4.404 1.00 0.42 C ATOM 0 H VAL A 40 -5.801 9.721 -1.927 1.00 0.30 H new ATOM 0 HA VAL A 40 -8.562 8.936 -1.476 1.00 0.38 H new ATOM 0 HB VAL A 40 -8.496 8.337 -4.073 1.00 0.45 H new ATOM 0 HG11 VAL A 40 -10.008 10.281 -4.399 1.00 0.59 H new ATOM 0 HG12 VAL A 40 -10.332 9.425 -2.872 1.00 0.59 H new ATOM 0 HG13 VAL A 40 -9.434 10.961 -2.858 1.00 0.59 H new ATOM 0 HG21 VAL A 40 -7.815 10.318 -5.366 1.00 0.42 H new ATOM 0 HG22 VAL A 40 -7.116 11.025 -3.890 1.00 0.42 H new ATOM 0 HG23 VAL A 40 -6.439 9.524 -4.564 1.00 0.42 H new ATOM 894 N ASN A 41 -7.912 6.537 -2.324 1.00 0.50 N ATOM 895 CA ASN A 41 -7.408 5.180 -2.393 1.00 0.55 C ATOM 896 C ASN A 41 -6.754 4.957 -3.742 1.00 0.44 C ATOM 897 O ASN A 41 -7.020 5.701 -4.689 1.00 0.43 O ATOM 898 CB ASN A 41 -8.513 4.147 -2.170 1.00 0.78 C ATOM 899 CG ASN A 41 -8.747 3.845 -0.706 1.00 1.16 C ATOM 900 OD1 ASN A 41 -8.131 2.945 -0.134 1.00 1.73 O ATOM 901 ND2 ASN A 41 -9.638 4.598 -0.092 1.00 1.16 N ATOM 0 H ASN A 41 -8.929 6.616 -2.337 1.00 0.50 H new ATOM 0 HA ASN A 41 -6.676 5.050 -1.595 1.00 0.55 H new ATOM 0 HB2 ASN A 41 -9.440 4.511 -2.614 1.00 0.78 H new ATOM 0 HB3 ASN A 41 -8.252 3.225 -2.689 1.00 0.78 H new ATOM 0 HD21 ASN A 41 -9.840 4.446 0.896 1.00 1.16 H new ATOM 0 HD22 ASN A 41 -10.125 5.333 -0.605 1.00 1.16 H new ATOM 908 N ARG A 42 -5.913 3.941 -3.839 1.00 0.46 N ATOM 909 CA ARG A 42 -5.133 3.737 -5.046 1.00 0.39 C ATOM 910 C ARG A 42 -5.896 2.885 -6.046 1.00 0.45 C ATOM 911 O ARG A 42 -6.095 1.694 -5.808 1.00 0.51 O ATOM 912 CB ARG A 42 -3.781 3.084 -4.741 1.00 0.48 C ATOM 913 CG ARG A 42 -2.891 2.995 -5.972 1.00 1.13 C ATOM 914 CD ARG A 42 -1.472 2.580 -5.632 1.00 1.57 C ATOM 915 NE ARG A 42 -0.687 2.316 -6.837 1.00 2.08 N ATOM 916 CZ ARG A 42 0.648 2.326 -6.888 1.00 2.71 C ATOM 917 NH1 ARG A 42 1.362 2.707 -5.838 1.00 3.32 N ATOM 918 NH2 ARG A 42 1.268 1.990 -8.010 1.00 3.14 N ATOM 0 H ARG A 42 -5.754 3.252 -3.104 1.00 0.46 H new ATOM 0 HA ARG A 42 -4.950 4.721 -5.479 1.00 0.39 H new ATOM 0 HB2 ARG A 42 -3.270 3.656 -3.967 1.00 0.48 H new ATOM 0 HB3 ARG A 42 -3.945 2.083 -4.341 1.00 0.48 H new ATOM 0 HG2 ARG A 42 -3.318 2.279 -6.674 1.00 1.13 H new ATOM 0 HG3 ARG A 42 -2.873 3.962 -6.475 1.00 1.13 H new ATOM 0 HD2 ARG A 42 -0.992 3.366 -5.049 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -1.493 1.687 -5.007 1.00 1.57 H new ATOM 0 HE ARG A 42 -1.194 2.110 -7.698 1.00 2.08 H new ATOM 0 HH11 ARG A 42 0.893 2.996 -4.980 1.00 3.32 H new ATOM 0 HH12 ARG A 42 2.381 2.711 -5.888 1.00 3.32 H new ATOM 0 HH21 ARG A 42 0.726 1.724 -8.832 1.00 3.14 H new ATOM 0 HH22 ARG A 42 2.287 1.997 -8.051 1.00 3.14 H new ATOM 932 N PRO A 43 -6.352 3.475 -7.172 1.00 0.53 N ATOM 933 CA PRO A 43 -6.942 2.695 -8.254 1.00 0.67 C ATOM 934 C PRO A 43 -5.963 1.630 -8.694 1.00 0.66 C ATOM 935 O PRO A 43 -4.865 1.934 -9.163 1.00 0.68 O ATOM 936 CB PRO A 43 -7.171 3.730 -9.356 1.00 0.80 C ATOM 937 CG PRO A 43 -7.317 5.006 -8.612 1.00 0.73 C ATOM 938 CD PRO A 43 -6.340 4.917 -7.482 1.00 0.55 C ATOM 0 HA PRO A 43 -7.861 2.178 -7.979 1.00 0.67 H new ATOM 0 HB2 PRO A 43 -6.333 3.766 -10.053 1.00 0.80 H new ATOM 0 HB3 PRO A 43 -8.062 3.503 -9.941 1.00 0.80 H new ATOM 0 HG2 PRO A 43 -7.102 5.862 -9.252 1.00 0.73 H new ATOM 0 HG3 PRO A 43 -8.335 5.132 -8.243 1.00 0.73 H new ATOM 0 HD2 PRO A 43 -5.348 5.262 -7.773 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -6.649 5.520 -6.628 1.00 0.55 H new ATOM 946 N LEU A 44 -6.357 0.387 -8.539 1.00 0.72 N ATOM 947 CA LEU A 44 -5.410 -0.706 -8.632 1.00 0.73 C ATOM 948 C LEU A 44 -6.107 -2.011 -8.995 1.00 1.12 C ATOM 949 O LEU A 44 -6.012 -2.488 -10.129 1.00 1.52 O ATOM 950 CB LEU A 44 -4.672 -0.820 -7.286 1.00 0.81 C ATOM 951 CG LEU A 44 -3.212 -1.280 -7.331 1.00 0.88 C ATOM 952 CD1 LEU A 44 -2.408 -0.447 -8.321 1.00 1.80 C ATOM 953 CD2 LEU A 44 -2.603 -1.173 -5.937 1.00 0.84 C ATOM 0 H LEU A 44 -7.319 0.106 -8.349 1.00 0.72 H new ATOM 0 HA LEU A 44 -4.692 -0.505 -9.428 1.00 0.73 H new ATOM 0 HB2 LEU A 44 -4.706 0.154 -6.798 1.00 0.81 H new ATOM 0 HB3 LEU A 44 -5.226 -1.513 -6.653 1.00 0.81 H new ATOM 0 HG LEU A 44 -3.182 -2.318 -7.663 1.00 0.88 H new ATOM 0 HD11 LEU A 44 -1.375 -0.794 -8.334 1.00 1.80 H new ATOM 0 HD12 LEU A 44 -2.838 -0.551 -9.317 1.00 1.80 H new ATOM 0 HD13 LEU A 44 -2.435 0.601 -8.021 1.00 1.80 H new ATOM 0 HD21 LEU A 44 -1.564 -1.500 -5.968 1.00 0.84 H new ATOM 0 HD22 LEU A 44 -2.648 -0.138 -5.599 1.00 0.84 H new ATOM 0 HD23 LEU A 44 -3.162 -1.805 -5.246 1.00 0.84 H new ATOM 965 N THR A 45 -6.819 -2.572 -8.037 1.00 1.43 N ATOM 966 CA THR A 45 -7.525 -3.829 -8.231 1.00 1.89 C ATOM 967 C THR A 45 -8.884 -3.774 -7.526 1.00 2.49 C ATOM 968 O THR A 45 -9.415 -2.684 -7.302 1.00 3.12 O ATOM 969 CB THR A 45 -6.698 -5.021 -7.699 1.00 2.47 C ATOM 970 OG1 THR A 45 -6.214 -4.727 -6.386 1.00 2.85 O ATOM 971 CG2 THR A 45 -5.520 -5.338 -8.615 1.00 3.21 C ATOM 0 H THR A 45 -6.926 -2.173 -7.104 1.00 1.43 H new ATOM 0 HA THR A 45 -7.677 -3.976 -9.300 1.00 1.89 H new ATOM 0 HB THR A 45 -7.351 -5.893 -7.669 1.00 2.47 H new ATOM 0 HG1 THR A 45 -5.278 -4.442 -6.439 1.00 2.85 H new ATOM 0 HG21 THR A 45 -4.961 -6.181 -8.210 1.00 3.21 H new ATOM 0 HG22 THR A 45 -5.890 -5.591 -9.609 1.00 3.21 H new ATOM 0 HG23 THR A 45 -4.867 -4.468 -8.682 1.00 3.21 H new ATOM 979 N MET A 46 -9.449 -4.925 -7.160 1.00 3.01 N ATOM 980 CA MET A 46 -10.756 -4.945 -6.522 1.00 4.06 C ATOM 981 C MET A 46 -10.749 -5.925 -5.344 1.00 4.82 C ATOM 982 O MET A 46 -9.745 -6.037 -4.637 1.00 5.29 O ATOM 983 CB MET A 46 -11.835 -5.311 -7.550 1.00 4.43 C ATOM 984 CG MET A 46 -13.227 -4.801 -7.192 1.00 5.26 C ATOM 985 SD MET A 46 -13.283 -3.010 -6.983 1.00 5.98 S ATOM 986 CE MET A 46 -12.830 -2.452 -8.624 1.00 6.47 C ATOM 0 H MET A 46 -9.025 -5.843 -7.294 1.00 3.01 H new ATOM 0 HA MET A 46 -10.985 -3.953 -6.132 1.00 4.06 H new ATOM 0 HB2 MET A 46 -11.549 -4.907 -8.521 1.00 4.43 H new ATOM 0 HB3 MET A 46 -11.871 -6.395 -7.654 1.00 4.43 H new ATOM 0 HG2 MET A 46 -13.928 -5.093 -7.974 1.00 5.26 H new ATOM 0 HG3 MET A 46 -13.559 -5.280 -6.271 1.00 5.26 H new ATOM 0 HE1 MET A 46 -13.463 -1.612 -8.911 1.00 6.47 H new ATOM 0 HE2 MET A 46 -11.787 -2.137 -8.626 1.00 6.47 H new ATOM 0 HE3 MET A 46 -12.964 -3.267 -9.335 1.00 6.47 H new ATOM 996 N LYS A 47 -11.846 -6.646 -5.135 1.00 5.35 N ATOM 997 CA LYS A 47 -11.954 -7.561 -4.005 1.00 6.39 C ATOM 998 C LYS A 47 -11.299 -8.901 -4.340 1.00 6.45 C ATOM 999 O LYS A 47 -11.943 -9.950 -4.285 1.00 7.14 O ATOM 1000 CB LYS A 47 -13.426 -7.761 -3.627 1.00 7.52 C ATOM 1001 CG LYS A 47 -13.633 -8.329 -2.234 1.00 8.31 C ATOM 1002 CD LYS A 47 -15.109 -8.385 -1.871 1.00 9.24 C ATOM 1003 CE LYS A 47 -15.309 -8.777 -0.416 1.00 10.03 C ATOM 1004 NZ LYS A 47 -16.734 -8.678 -0.002 1.00 10.60 N ATOM 0 H LYS A 47 -12.672 -6.614 -5.733 1.00 5.35 H new ATOM 0 HA LYS A 47 -11.432 -7.128 -3.152 1.00 6.39 H new ATOM 0 HB2 LYS A 47 -13.942 -6.804 -3.699 1.00 7.52 H new ATOM 0 HB3 LYS A 47 -13.890 -8.428 -4.353 1.00 7.52 H new ATOM 0 HG2 LYS A 47 -13.205 -9.330 -2.180 1.00 8.31 H new ATOM 0 HG3 LYS A 47 -13.101 -7.716 -1.507 1.00 8.31 H new ATOM 0 HD2 LYS A 47 -15.567 -7.413 -2.054 1.00 9.24 H new ATOM 0 HD3 LYS A 47 -15.617 -9.103 -2.516 1.00 9.24 H new ATOM 0 HE2 LYS A 47 -14.958 -9.798 -0.264 1.00 10.03 H new ATOM 0 HE3 LYS A 47 -14.701 -8.133 0.220 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 -16.825 -8.954 0.997 1.00 10.60 H new ATOM 0 HZ2 LYS A 47 -17.063 -7.699 -0.122 1.00 10.60 H new ATOM 0 HZ3 LYS A 47 -17.311 -9.312 -0.591 1.00 10.60 H new ATOM 1018 N LYS A 48 -10.012 -8.843 -4.681 1.00 6.06 N ATOM 1019 CA LYS A 48 -9.244 -10.021 -5.082 1.00 6.40 C ATOM 1020 C LYS A 48 -9.931 -10.754 -6.235 1.00 6.04 C ATOM 1021 O LYS A 48 -10.702 -11.694 -6.030 1.00 6.58 O ATOM 1022 CB LYS A 48 -9.025 -10.965 -3.891 1.00 7.59 C ATOM 1023 CG LYS A 48 -8.135 -12.157 -4.213 1.00 8.29 C ATOM 1024 CD LYS A 48 -6.767 -11.714 -4.708 1.00 9.18 C ATOM 1025 CE LYS A 48 -5.911 -12.898 -5.114 1.00 9.92 C ATOM 1026 NZ LYS A 48 -4.616 -12.471 -5.706 1.00 10.22 N ATOM 0 H LYS A 48 -9.472 -7.977 -4.687 1.00 6.06 H new ATOM 0 HA LYS A 48 -8.268 -9.682 -5.429 1.00 6.40 H new ATOM 0 HB2 LYS A 48 -8.581 -10.403 -3.069 1.00 7.59 H new ATOM 0 HB3 LYS A 48 -9.992 -11.328 -3.543 1.00 7.59 H new ATOM 0 HG2 LYS A 48 -8.018 -12.776 -3.323 1.00 8.29 H new ATOM 0 HG3 LYS A 48 -8.614 -12.776 -4.971 1.00 8.29 H new ATOM 0 HD2 LYS A 48 -6.887 -11.042 -5.558 1.00 9.18 H new ATOM 0 HD3 LYS A 48 -6.261 -11.150 -3.925 1.00 9.18 H new ATOM 0 HE2 LYS A 48 -5.722 -13.525 -4.242 1.00 9.92 H new ATOM 0 HE3 LYS A 48 -6.455 -13.509 -5.834 1.00 9.92 H new ATOM 0 HZ1 LYS A 48 -4.061 -13.310 -5.970 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -4.795 -11.894 -6.553 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -4.085 -11.910 -5.010 1.00 10.22 H new ATOM 1040 N GLU A 49 -9.650 -10.309 -7.447 1.00 5.38 N ATOM 1041 CA GLU A 49 -10.261 -10.877 -8.635 1.00 5.42 C ATOM 1042 C GLU A 49 -9.529 -12.146 -9.049 1.00 5.55 C ATOM 1043 O GLU A 49 -8.422 -12.034 -9.615 1.00 5.89 O ATOM 1044 CB GLU A 49 -10.225 -9.854 -9.770 1.00 5.41 C ATOM 1045 CG GLU A 49 -10.888 -8.531 -9.419 1.00 5.86 C ATOM 1046 CD GLU A 49 -12.392 -8.641 -9.287 1.00 6.53 C ATOM 1047 OE1 GLU A 49 -12.895 -8.731 -8.148 1.00 7.00 O ATOM 1048 OE2 GLU A 49 -13.081 -8.630 -10.330 1.00 6.85 O ATOM 1049 OXT GLU A 49 -10.056 -13.250 -8.804 1.00 5.74 O ATOM 0 H GLU A 49 -8.996 -9.549 -7.635 1.00 5.38 H new ATOM 0 HA GLU A 49 -11.298 -11.131 -8.415 1.00 5.42 H new ATOM 0 HB2 GLU A 49 -9.187 -9.668 -10.048 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -10.718 -10.277 -10.645 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -10.473 -8.160 -8.482 1.00 5.86 H new ATOM 0 HG3 GLU A 49 -10.649 -7.796 -10.187 1.00 5.86 H new TER 1056 GLU A 49 HETATM 1057 ZN ZN A 101 -3.955 -1.665 -1.775 1.00 0.29 ZN