USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=21 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 -2 GLN : amide:sc=0.000774 K(o=0.66,f=-3.3) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 143:sc= 0.657 (180deg=-0.0391) USER MOD Single : A 5 THR OG1 : rot 100:sc= 0.137 USER MOD Single : A 6 CYS SG : rot 180:sc= 0.00635 USER MOD Single : A 9 ASN : amide:sc= 0.826 K(o=0.83,f=-0.95) USER MOD Single : A -9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.227 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 15 THR OG1 : rot -80:sc= -0.804 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.509 K(o=-0.51,f=-13!) USER MOD Single : A 23 ASN :FLIP amide:sc= 0.866 F(o=-0.3,f=0.87) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.6 F(o=-5.3!,f=-1.6) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.307 F(o=-1.8,f=0.31) USER MOD Single : A 39 ASN : amide:sc= -0.0568 K(o=-0.057,f=-1.9) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 161:sc= -0.148 (180deg=-0.678) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 1.26 (180deg=0.887) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0545 (180deg=-0.269) USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -12 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A -13 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A -14 HIS : no HD1:sc= -0.0724 X(o=-0.072,f=-0.087) USER MOD Single : A -15 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A -16 HIS : no HD1:sc= -0.0555 X(o=-0.056,f=-0.0095) USER MOD Single : A -18 MET CE :methyl -160:sc= -0.154 (180deg=-0.765) USER MOD Single : A -18 MET N :NH3+ 134:sc= 0.0853 (180deg=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 32.838 -13.234 -3.759 1.00 16.77 N ATOM 2 CA MET A -18 31.884 -12.127 -3.984 1.00 16.30 C ATOM 3 C MET A -18 30.881 -12.053 -2.842 1.00 15.80 C ATOM 4 O MET A -18 30.628 -13.050 -2.160 1.00 15.75 O ATOM 5 CB MET A -18 31.143 -12.313 -5.313 1.00 16.41 C ATOM 6 CG MET A -18 30.243 -13.541 -5.352 1.00 16.85 C ATOM 7 SD MET A -18 29.377 -13.720 -6.922 1.00 17.18 S ATOM 8 CE MET A -18 28.408 -12.212 -6.948 1.00 17.45 C ATOM 0 H1 MET A -18 32.950 -13.780 -4.637 1.00 16.77 H new ATOM 0 H2 MET A -18 33.759 -12.846 -3.473 1.00 16.77 H new ATOM 0 H3 MET A -18 32.477 -13.856 -3.008 1.00 16.77 H new ATOM 0 HA MET A -18 32.448 -11.195 -4.024 1.00 16.30 H new ATOM 0 HB2 MET A -18 30.540 -11.426 -5.508 1.00 16.41 H new ATOM 0 HB3 MET A -18 31.874 -12.385 -6.118 1.00 16.41 H new ATOM 0 HG2 MET A -18 30.843 -14.432 -5.169 1.00 16.85 H new ATOM 0 HG3 MET A -18 29.513 -13.477 -4.545 1.00 16.85 H new ATOM 0 HE1 MET A -18 27.576 -12.326 -7.643 1.00 17.45 H new ATOM 0 HE2 MET A -18 28.021 -12.011 -5.949 1.00 17.45 H new ATOM 0 HE3 MET A -18 29.037 -11.381 -7.268 1.00 17.45 H new ATOM 20 N ALA A -17 30.315 -10.873 -2.637 1.00 15.58 N ATOM 21 CA ALA A -17 29.317 -10.665 -1.601 1.00 15.28 C ATOM 22 C ALA A -17 28.308 -9.617 -2.049 1.00 14.65 C ATOM 23 O ALA A -17 28.659 -8.455 -2.250 1.00 14.54 O ATOM 24 CB ALA A -17 29.979 -10.245 -0.295 1.00 15.75 C ATOM 0 H ALA A -17 30.533 -10.038 -3.181 1.00 15.58 H new ATOM 0 HA ALA A -17 28.792 -11.605 -1.430 1.00 15.28 H new ATOM 0 HB1 ALA A -17 29.215 -10.094 0.468 1.00 15.75 H new ATOM 0 HB2 ALA A -17 30.668 -11.024 0.031 1.00 15.75 H new ATOM 0 HB3 ALA A -17 30.528 -9.316 -0.448 1.00 15.75 H new ATOM 30 N HIS A -16 27.066 -10.037 -2.226 1.00 14.40 N ATOM 31 CA HIS A -16 26.008 -9.137 -2.663 1.00 13.97 C ATOM 32 C HIS A -16 25.556 -8.259 -1.501 1.00 13.40 C ATOM 33 O HIS A -16 24.981 -8.748 -0.529 1.00 13.34 O ATOM 34 CB HIS A -16 24.822 -9.941 -3.210 1.00 14.30 C ATOM 35 CG HIS A -16 23.753 -9.105 -3.852 1.00 14.69 C ATOM 36 ND1 HIS A -16 23.589 -9.016 -5.218 1.00 15.06 N ATOM 37 CD2 HIS A -16 22.782 -8.329 -3.311 1.00 14.94 C ATOM 38 CE1 HIS A -16 22.569 -8.224 -5.487 1.00 15.50 C ATOM 39 NE2 HIS A -16 22.063 -7.796 -4.348 1.00 15.44 N ATOM 0 H HIS A -16 26.764 -10.999 -2.073 1.00 14.40 H new ATOM 0 HA HIS A -16 26.395 -8.499 -3.458 1.00 13.97 H new ATOM 0 HB2 HIS A -16 25.192 -10.661 -3.940 1.00 14.30 H new ATOM 0 HB3 HIS A -16 24.379 -10.513 -2.395 1.00 14.30 H new ATOM 0 HD2 HIS A -16 22.608 -8.162 -2.258 1.00 14.94 H new ATOM 0 HE1 HIS A -16 22.210 -7.970 -6.473 1.00 15.50 H new ATOM 0 HE2 HIS A -16 21.264 -7.169 -4.254 1.00 15.44 H new ATOM 48 N HIS A -15 25.819 -6.968 -1.601 1.00 13.18 N ATOM 49 CA HIS A -15 25.426 -6.039 -0.555 1.00 12.80 C ATOM 50 C HIS A -15 24.018 -5.525 -0.818 1.00 12.10 C ATOM 51 O HIS A -15 23.827 -4.568 -1.569 1.00 12.11 O ATOM 52 CB HIS A -15 26.415 -4.870 -0.475 1.00 13.32 C ATOM 53 CG HIS A -15 26.263 -4.022 0.754 1.00 13.69 C ATOM 54 ND1 HIS A -15 27.184 -4.016 1.776 1.00 14.05 N ATOM 55 CD2 HIS A -15 25.298 -3.144 1.120 1.00 13.95 C ATOM 56 CE1 HIS A -15 26.795 -3.178 2.716 1.00 14.50 C ATOM 57 NE2 HIS A -15 25.654 -2.634 2.343 1.00 14.45 N ATOM 0 H HIS A -15 26.301 -6.540 -2.392 1.00 13.18 H new ATOM 0 HA HIS A -15 25.437 -6.563 0.401 1.00 12.80 H new ATOM 0 HB2 HIS A -15 27.431 -5.264 -0.508 1.00 13.32 H new ATOM 0 HB3 HIS A -15 26.289 -4.240 -1.356 1.00 13.32 H new ATOM 0 HD2 HIS A -15 24.413 -2.892 0.554 1.00 13.95 H new ATOM 0 HE1 HIS A -15 27.322 -2.972 3.636 1.00 14.50 H new ATOM 0 HE2 HIS A -15 25.122 -1.946 2.876 1.00 14.45 H new ATOM 66 N HIS A -14 23.031 -6.182 -0.218 1.00 11.67 N ATOM 67 CA HIS A -14 21.647 -5.737 -0.329 1.00 11.15 C ATOM 68 C HIS A -14 21.507 -4.309 0.186 1.00 10.45 C ATOM 69 O HIS A -14 22.031 -3.964 1.247 1.00 10.24 O ATOM 70 CB HIS A -14 20.685 -6.690 0.406 1.00 11.34 C ATOM 71 CG HIS A -14 21.089 -7.052 1.808 1.00 11.78 C ATOM 72 ND1 HIS A -14 21.638 -8.272 2.133 1.00 12.06 N ATOM 73 CD2 HIS A -14 20.994 -6.368 2.973 1.00 12.20 C ATOM 74 CE1 HIS A -14 21.861 -8.324 3.431 1.00 12.61 C ATOM 75 NE2 HIS A -14 21.478 -7.181 3.968 1.00 12.71 N ATOM 0 H HIS A -14 23.163 -7.021 0.348 1.00 11.67 H new ATOM 0 HA HIS A -14 21.371 -5.752 -1.383 1.00 11.15 H new ATOM 0 HB2 HIS A -14 19.697 -6.230 0.437 1.00 11.34 H new ATOM 0 HB3 HIS A -14 20.592 -7.607 -0.176 1.00 11.34 H new ATOM 0 HD2 HIS A -14 20.608 -5.367 3.097 1.00 12.20 H new ATOM 0 HE1 HIS A -14 22.286 -9.161 3.965 1.00 12.61 H new ATOM 0 HE2 HIS A -14 21.532 -6.941 4.958 1.00 12.71 H new ATOM 84 N HIS A -13 20.825 -3.480 -0.585 1.00 10.29 N ATOM 85 CA HIS A -13 20.724 -2.062 -0.282 1.00 9.83 C ATOM 86 C HIS A -13 19.655 -1.807 0.767 1.00 9.17 C ATOM 87 O HIS A -13 18.470 -2.058 0.541 1.00 9.24 O ATOM 88 CB HIS A -13 20.428 -1.258 -1.551 1.00 10.33 C ATOM 89 CG HIS A -13 21.521 -1.336 -2.576 1.00 10.72 C ATOM 90 ND1 HIS A -13 21.285 -1.511 -3.923 1.00 11.23 N ATOM 91 CD2 HIS A -13 22.866 -1.251 -2.443 1.00 10.91 C ATOM 92 CE1 HIS A -13 22.434 -1.534 -4.570 1.00 11.69 C ATOM 93 NE2 HIS A -13 23.406 -1.378 -3.696 1.00 11.52 N ATOM 0 H HIS A -13 20.330 -3.766 -1.430 1.00 10.29 H new ATOM 0 HA HIS A -13 21.683 -1.735 0.120 1.00 9.83 H new ATOM 0 HB2 HIS A -13 19.500 -1.620 -1.993 1.00 10.33 H new ATOM 0 HB3 HIS A -13 20.267 -0.214 -1.281 1.00 10.33 H new ATOM 0 HD2 HIS A -13 23.411 -1.110 -1.522 1.00 10.91 H new ATOM 0 HE1 HIS A -13 22.557 -1.659 -5.636 1.00 11.69 H new ATOM 0 HE2 HIS A -13 24.402 -1.355 -3.916 1.00 11.52 H new ATOM 102 N HIS A -12 20.082 -1.276 1.907 1.00 8.78 N ATOM 103 CA HIS A -12 19.189 -1.037 3.035 1.00 8.39 C ATOM 104 C HIS A -12 18.289 0.166 2.777 1.00 7.80 C ATOM 105 O HIS A -12 17.461 0.524 3.613 1.00 7.91 O ATOM 106 CB HIS A -12 19.985 -0.834 4.328 1.00 8.72 C ATOM 107 CG HIS A -12 20.714 -2.059 4.793 1.00 8.98 C ATOM 108 ND1 HIS A -12 20.367 -2.754 5.930 1.00 9.31 N ATOM 109 CD2 HIS A -12 21.787 -2.700 4.278 1.00 9.28 C ATOM 110 CE1 HIS A -12 21.197 -3.766 6.095 1.00 9.77 C ATOM 111 NE2 HIS A -12 22.071 -3.758 5.104 1.00 9.76 N ATOM 0 H HIS A -12 21.050 -1.001 2.075 1.00 8.78 H new ATOM 0 HA HIS A -12 18.559 -1.919 3.150 1.00 8.39 H new ATOM 0 HB2 HIS A -12 20.706 -0.030 4.177 1.00 8.72 H new ATOM 0 HB3 HIS A -12 19.304 -0.508 5.114 1.00 8.72 H new ATOM 0 HD2 HIS A -12 22.323 -2.429 3.380 1.00 9.28 H new ATOM 0 HE1 HIS A -12 21.167 -4.481 6.904 1.00 9.77 H new ATOM 0 HE2 HIS A -12 22.830 -4.427 4.975 1.00 9.76 H new ATOM 120 N HIS A -11 18.469 0.804 1.627 1.00 7.48 N ATOM 121 CA HIS A -11 17.543 1.836 1.179 1.00 7.19 C ATOM 122 C HIS A -11 16.175 1.218 0.929 1.00 6.46 C ATOM 123 O HIS A -11 15.142 1.862 1.104 1.00 6.49 O ATOM 124 CB HIS A -11 18.055 2.527 -0.091 1.00 7.84 C ATOM 125 CG HIS A -11 19.143 3.529 0.162 1.00 8.37 C ATOM 126 ND1 HIS A -11 20.421 3.411 -0.345 1.00 8.98 N ATOM 127 CD2 HIS A -11 19.125 4.688 0.862 1.00 8.69 C ATOM 128 CE1 HIS A -11 21.139 4.452 0.034 1.00 9.59 C ATOM 129 NE2 HIS A -11 20.376 5.243 0.766 1.00 9.44 N ATOM 0 H HIS A -11 19.245 0.626 0.990 1.00 7.48 H new ATOM 0 HA HIS A -11 17.463 2.593 1.960 1.00 7.19 H new ATOM 0 HB2 HIS A -11 18.425 1.769 -0.782 1.00 7.84 H new ATOM 0 HB3 HIS A -11 17.221 3.027 -0.583 1.00 7.84 H new ATOM 0 HD2 HIS A -11 18.282 5.099 1.397 1.00 8.69 H new ATOM 0 HE1 HIS A -11 22.176 4.627 -0.213 1.00 9.59 H new ATOM 0 HE2 HIS A -11 20.669 6.123 1.191 1.00 9.44 H new ATOM 138 N SER A -10 16.178 -0.052 0.544 1.00 6.16 N ATOM 139 CA SER A -10 14.948 -0.802 0.359 1.00 5.80 C ATOM 140 C SER A -10 14.603 -1.555 1.641 1.00 5.14 C ATOM 141 O SER A -10 14.300 -2.748 1.616 1.00 5.44 O ATOM 142 CB SER A -10 15.106 -1.781 -0.804 1.00 6.45 C ATOM 143 OG SER A -10 15.545 -1.111 -1.974 1.00 7.05 O ATOM 0 H SER A -10 17.027 -0.585 0.353 1.00 6.16 H new ATOM 0 HA SER A -10 14.137 -0.111 0.128 1.00 5.80 H new ATOM 0 HB2 SER A -10 15.821 -2.558 -0.535 1.00 6.45 H new ATOM 0 HB3 SER A -10 14.155 -2.276 -0.999 1.00 6.45 H new ATOM 0 HG SER A -10 15.641 -1.757 -2.705 1.00 7.05 H new ATOM 149 N SER A -9 14.669 -0.851 2.761 1.00 4.65 N ATOM 150 CA SER A -9 14.389 -1.451 4.054 1.00 4.40 C ATOM 151 C SER A -9 12.895 -1.395 4.341 1.00 3.47 C ATOM 152 O SER A -9 12.276 -2.404 4.686 1.00 3.79 O ATOM 153 CB SER A -9 15.169 -0.725 5.151 1.00 5.30 C ATOM 154 OG SER A -9 15.109 -1.427 6.381 1.00 6.01 O ATOM 0 H SER A -9 14.915 0.138 2.799 1.00 4.65 H new ATOM 0 HA SER A -9 14.703 -2.495 4.036 1.00 4.40 H new ATOM 0 HB2 SER A -9 16.209 -0.612 4.846 1.00 5.30 H new ATOM 0 HB3 SER A -9 14.765 0.279 5.283 1.00 5.30 H new ATOM 0 HG SER A -9 15.618 -0.939 7.061 1.00 6.01 H new ATOM 160 N GLY A -8 12.315 -0.217 4.183 1.00 2.88 N ATOM 161 CA GLY A -8 10.900 -0.060 4.414 1.00 2.53 C ATOM 162 C GLY A -8 10.132 0.051 3.120 1.00 2.03 C ATOM 163 O GLY A -8 10.716 0.313 2.067 1.00 2.46 O ATOM 0 H GLY A -8 12.801 0.633 3.898 1.00 2.88 H new ATOM 0 HA2 GLY A -8 10.528 -0.910 4.986 1.00 2.53 H new ATOM 0 HA3 GLY A -8 10.726 0.831 5.018 1.00 2.53 H new ATOM 167 N LEU A -7 8.826 -0.139 3.194 1.00 1.44 N ATOM 168 CA LEU A -7 7.974 -0.064 2.015 1.00 1.02 C ATOM 169 C LEU A -7 7.544 1.374 1.743 1.00 1.01 C ATOM 170 O LEU A -7 6.393 1.634 1.407 1.00 1.40 O ATOM 171 CB LEU A -7 6.756 -0.983 2.170 1.00 0.97 C ATOM 172 CG LEU A -7 7.017 -2.470 1.907 1.00 1.54 C ATOM 173 CD1 LEU A -7 7.965 -3.057 2.943 1.00 2.25 C ATOM 174 CD2 LEU A -7 5.704 -3.235 1.881 1.00 2.06 C ATOM 0 H LEU A -7 8.329 -0.347 4.060 1.00 1.44 H new ATOM 0 HA LEU A -7 8.550 -0.407 1.156 1.00 1.02 H new ATOM 0 HB2 LEU A -7 6.366 -0.873 3.182 1.00 0.97 H new ATOM 0 HB3 LEU A -7 5.976 -0.642 1.489 1.00 0.97 H new ATOM 0 HG LEU A -7 7.497 -2.565 0.933 1.00 1.54 H new ATOM 0 HD11 LEU A -7 8.130 -4.113 2.729 1.00 2.25 H new ATOM 0 HD12 LEU A -7 8.917 -2.527 2.907 1.00 2.25 H new ATOM 0 HD13 LEU A -7 7.528 -2.952 3.936 1.00 2.25 H new ATOM 0 HD21 LEU A -7 5.901 -4.290 1.693 1.00 2.06 H new ATOM 0 HD22 LEU A -7 5.200 -3.125 2.841 1.00 2.06 H new ATOM 0 HD23 LEU A -7 5.068 -2.839 1.090 1.00 2.06 H new ATOM 186 N GLU A -6 8.488 2.302 1.901 1.00 1.01 N ATOM 187 CA GLU A -6 8.266 3.715 1.594 1.00 1.15 C ATOM 188 C GLU A -6 7.147 4.290 2.481 1.00 1.03 C ATOM 189 O GLU A -6 6.708 3.626 3.420 1.00 1.77 O ATOM 190 CB GLU A -6 7.950 3.861 0.095 1.00 1.65 C ATOM 191 CG GLU A -6 8.169 5.256 -0.468 1.00 2.27 C ATOM 192 CD GLU A -6 9.474 5.868 -0.015 1.00 2.92 C ATOM 193 OE1 GLU A -6 9.454 6.829 0.779 1.00 3.35 O ATOM 194 OE2 GLU A -6 10.534 5.381 -0.450 1.00 3.44 O ATOM 0 H GLU A -6 9.426 2.096 2.245 1.00 1.01 H new ATOM 0 HA GLU A -6 9.167 4.289 1.811 1.00 1.15 H new ATOM 0 HB2 GLU A -6 8.568 3.158 -0.463 1.00 1.65 H new ATOM 0 HB3 GLU A -6 6.912 3.575 -0.073 1.00 1.65 H new ATOM 0 HG2 GLU A -6 8.152 5.211 -1.557 1.00 2.27 H new ATOM 0 HG3 GLU A -6 7.345 5.900 -0.163 1.00 2.27 H new ATOM 201 N VAL A -5 6.732 5.536 2.204 1.00 0.68 N ATOM 202 CA VAL A -5 5.660 6.228 2.946 1.00 0.59 C ATOM 203 C VAL A -5 5.839 6.085 4.471 1.00 0.89 C ATOM 204 O VAL A -5 4.878 6.027 5.243 1.00 1.67 O ATOM 205 CB VAL A -5 4.231 5.782 2.477 1.00 0.46 C ATOM 206 CG1 VAL A -5 3.939 4.324 2.763 1.00 0.71 C ATOM 207 CG2 VAL A -5 3.145 6.669 3.066 1.00 0.85 C ATOM 0 H VAL A -5 7.133 6.098 1.453 1.00 0.68 H new ATOM 0 HA VAL A -5 5.746 7.289 2.711 1.00 0.59 H new ATOM 0 HB VAL A -5 4.226 5.900 1.393 1.00 0.46 H new ATOM 0 HG11 VAL A -5 2.936 4.079 2.415 1.00 0.71 H new ATOM 0 HG12 VAL A -5 4.666 3.699 2.245 1.00 0.71 H new ATOM 0 HG13 VAL A -5 4.005 4.143 3.836 1.00 0.71 H new ATOM 0 HG21 VAL A -5 2.169 6.329 2.718 1.00 0.85 H new ATOM 0 HG22 VAL A -5 3.182 6.615 4.154 1.00 0.85 H new ATOM 0 HG23 VAL A -5 3.305 7.699 2.748 1.00 0.85 H new ATOM 217 N LEU A -4 7.095 6.066 4.900 1.00 0.83 N ATOM 218 CA LEU A -4 7.425 5.901 6.308 1.00 1.12 C ATOM 219 C LEU A -4 7.317 7.229 7.049 1.00 1.15 C ATOM 220 O LEU A -4 8.312 7.935 7.220 1.00 1.67 O ATOM 221 CB LEU A -4 8.844 5.342 6.461 1.00 1.58 C ATOM 222 CG LEU A -4 9.114 4.018 5.741 1.00 2.31 C ATOM 223 CD1 LEU A -4 10.583 3.648 5.851 1.00 3.12 C ATOM 224 CD2 LEU A -4 8.245 2.907 6.313 1.00 2.85 C ATOM 0 H LEU A -4 7.905 6.164 4.288 1.00 0.83 H new ATOM 0 HA LEU A -4 6.713 5.198 6.741 1.00 1.12 H new ATOM 0 HB2 LEU A -4 9.550 6.086 6.092 1.00 1.58 H new ATOM 0 HB3 LEU A -4 9.049 5.206 7.523 1.00 1.58 H new ATOM 0 HG LEU A -4 8.862 4.143 4.688 1.00 2.31 H new ATOM 0 HD11 LEU A -4 10.760 2.705 5.335 1.00 3.12 H new ATOM 0 HD12 LEU A -4 11.190 4.430 5.396 1.00 3.12 H new ATOM 0 HD13 LEU A -4 10.854 3.543 6.902 1.00 3.12 H new ATOM 0 HD21 LEU A -4 8.453 1.975 5.787 1.00 2.85 H new ATOM 0 HD22 LEU A -4 8.465 2.782 7.373 1.00 2.85 H new ATOM 0 HD23 LEU A -4 7.194 3.167 6.189 1.00 2.85 H new ATOM 236 N PHE A -3 6.104 7.572 7.467 1.00 1.03 N ATOM 237 CA PHE A -3 5.876 8.778 8.257 1.00 1.19 C ATOM 238 C PHE A -3 4.506 8.749 8.932 1.00 1.23 C ATOM 239 O PHE A -3 4.378 9.115 10.097 1.00 2.17 O ATOM 240 CB PHE A -3 6.044 10.057 7.411 1.00 1.32 C ATOM 241 CG PHE A -3 5.236 10.106 6.139 1.00 1.09 C ATOM 242 CD1 PHE A -3 5.768 9.653 4.943 1.00 1.05 C ATOM 243 CD2 PHE A -3 3.936 10.584 6.151 1.00 1.27 C ATOM 244 CE1 PHE A -3 5.020 9.681 3.781 1.00 1.10 C ATOM 245 CE2 PHE A -3 3.184 10.615 4.992 1.00 1.30 C ATOM 246 CZ PHE A -3 3.766 10.231 3.784 1.00 1.15 C ATOM 0 H PHE A -3 5.261 7.031 7.272 1.00 1.03 H new ATOM 0 HA PHE A -3 6.637 8.797 9.037 1.00 1.19 H new ATOM 0 HB2 PHE A -3 5.774 10.916 8.025 1.00 1.32 H new ATOM 0 HB3 PHE A -3 7.098 10.167 7.156 1.00 1.32 H new ATOM 0 HD1 PHE A -3 6.779 9.274 4.918 1.00 1.05 H new ATOM 0 HD2 PHE A -3 3.505 10.936 7.077 1.00 1.27 H new ATOM 0 HE1 PHE A -3 5.425 9.268 2.869 1.00 1.10 H new ATOM 0 HE2 PHE A -3 2.153 10.934 5.021 1.00 1.30 H new ATOM 0 HZ PHE A -3 3.230 10.367 2.856 1.00 1.15 H new ATOM 256 N GLN A -2 3.488 8.294 8.212 1.00 0.89 N ATOM 257 CA GLN A -2 2.133 8.257 8.756 1.00 0.86 C ATOM 258 C GLN A -2 1.469 6.920 8.450 1.00 1.00 C ATOM 259 O GLN A -2 0.840 6.768 7.407 1.00 1.69 O ATOM 260 CB GLN A -2 1.292 9.396 8.165 1.00 1.18 C ATOM 261 CG GLN A -2 -0.124 9.459 8.717 1.00 1.89 C ATOM 262 CD GLN A -2 -0.985 10.488 8.012 1.00 2.22 C ATOM 263 OE1 GLN A -2 -2.192 10.305 7.875 1.00 2.74 O ATOM 264 NE2 GLN A -2 -0.380 11.578 7.567 1.00 2.71 N ATOM 0 H GLN A -2 3.572 7.947 7.256 1.00 0.89 H new ATOM 0 HA GLN A -2 2.196 8.381 9.837 1.00 0.86 H new ATOM 0 HB2 GLN A -2 1.792 10.345 8.361 1.00 1.18 H new ATOM 0 HB3 GLN A -2 1.246 9.278 7.082 1.00 1.18 H new ATOM 0 HG2 GLN A -2 -0.589 8.478 8.624 1.00 1.89 H new ATOM 0 HG3 GLN A -2 -0.084 9.693 9.781 1.00 1.89 H new ATOM 0 HE21 GLN A -2 0.625 11.694 7.700 1.00 2.71 H new ATOM 0 HE22 GLN A -2 -0.918 12.302 7.091 1.00 2.71 H new ATOM 273 N GLY A -1 1.615 5.955 9.350 1.00 0.85 N ATOM 274 CA GLY A -1 1.004 4.654 9.140 1.00 1.20 C ATOM 275 C GLY A -1 1.717 3.536 9.881 1.00 0.93 C ATOM 276 O GLY A -1 2.948 3.515 9.942 1.00 1.43 O ATOM 0 H GLY A -1 2.143 6.048 10.218 1.00 0.85 H new ATOM 0 HA2 GLY A -1 -0.036 4.691 9.463 1.00 1.20 H new ATOM 0 HA3 GLY A -1 0.998 4.429 8.073 1.00 1.20 H new ATOM 280 N PRO A 0 0.956 2.600 10.469 1.00 0.95 N ATOM 281 CA PRO A 0 1.505 1.441 11.175 1.00 1.19 C ATOM 282 C PRO A 0 1.761 0.251 10.245 1.00 1.08 C ATOM 283 O PRO A 0 1.882 0.411 9.028 1.00 1.62 O ATOM 284 CB PRO A 0 0.385 1.113 12.156 1.00 1.86 C ATOM 285 CG PRO A 0 -0.863 1.451 11.416 1.00 2.08 C ATOM 286 CD PRO A 0 -0.521 2.612 10.516 1.00 1.60 C ATOM 0 HA PRO A 0 2.473 1.647 11.633 1.00 1.19 H new ATOM 0 HB2 PRO A 0 0.404 0.062 12.445 1.00 1.86 H new ATOM 0 HB3 PRO A 0 0.475 1.697 13.072 1.00 1.86 H new ATOM 0 HG2 PRO A 0 -1.213 0.598 10.834 1.00 2.08 H new ATOM 0 HG3 PRO A 0 -1.664 1.717 12.106 1.00 2.08 H new ATOM 0 HD2 PRO A 0 -0.954 2.489 9.523 1.00 1.60 H new ATOM 0 HD3 PRO A 0 -0.901 3.553 10.915 1.00 1.60 H new ATOM 294 N ARG A 1 1.855 -0.936 10.834 1.00 1.01 N ATOM 295 CA ARG A 1 2.030 -2.168 10.079 1.00 1.19 C ATOM 296 C ARG A 1 1.227 -3.291 10.732 1.00 0.86 C ATOM 297 O ARG A 1 0.763 -3.143 11.864 1.00 1.02 O ATOM 298 CB ARG A 1 3.512 -2.539 10.015 1.00 1.95 C ATOM 299 CG ARG A 1 4.126 -2.829 11.375 1.00 2.38 C ATOM 300 CD ARG A 1 5.637 -2.933 11.292 1.00 3.12 C ATOM 301 NE ARG A 1 6.075 -3.949 10.338 1.00 3.69 N ATOM 302 CZ ARG A 1 7.306 -4.007 9.832 1.00 4.54 C ATOM 303 NH1 ARG A 1 8.220 -3.111 10.192 1.00 4.90 N ATOM 304 NH2 ARG A 1 7.625 -4.959 8.966 1.00 5.35 N ATOM 0 H ARG A 1 1.812 -1.070 11.844 1.00 1.01 H new ATOM 0 HA ARG A 1 1.667 -2.020 9.062 1.00 1.19 H new ATOM 0 HB2 ARG A 1 3.631 -3.415 9.377 1.00 1.95 H new ATOM 0 HB3 ARG A 1 4.062 -1.724 9.544 1.00 1.95 H new ATOM 0 HG2 ARG A 1 3.853 -2.039 12.075 1.00 2.38 H new ATOM 0 HG3 ARG A 1 3.717 -3.760 11.769 1.00 2.38 H new ATOM 0 HD2 ARG A 1 6.049 -1.966 11.004 1.00 3.12 H new ATOM 0 HD3 ARG A 1 6.037 -3.169 12.278 1.00 3.12 H new ATOM 0 HE ARG A 1 5.400 -4.654 10.042 1.00 3.69 H new ATOM 0 HH11 ARG A 1 7.980 -2.376 10.858 1.00 4.90 H new ATOM 0 HH12 ARG A 1 9.162 -3.158 9.803 1.00 4.90 H new ATOM 0 HH21 ARG A 1 6.927 -5.649 8.686 1.00 5.35 H new ATOM 0 HH22 ARG A 1 8.568 -5.002 8.580 1.00 5.35 H new ATOM 318 N ARG A 2 1.083 -4.412 10.035 1.00 0.78 N ATOM 319 CA ARG A 2 0.254 -5.518 10.520 1.00 0.56 C ATOM 320 C ARG A 2 0.688 -6.807 9.817 1.00 0.65 C ATOM 321 O ARG A 2 1.583 -6.768 8.971 1.00 1.49 O ATOM 322 CB ARG A 2 -1.250 -5.231 10.266 1.00 0.50 C ATOM 323 CG ARG A 2 -2.155 -5.914 11.265 1.00 0.88 C ATOM 324 CD ARG A 2 -3.616 -5.572 11.038 1.00 1.32 C ATOM 325 NE ARG A 2 -4.480 -6.153 12.066 1.00 1.72 N ATOM 326 CZ ARG A 2 -5.248 -7.225 11.877 1.00 2.37 C ATOM 327 NH1 ARG A 2 -5.173 -7.909 10.744 1.00 2.94 N ATOM 328 NH2 ARG A 2 -6.067 -7.635 12.840 1.00 2.90 N ATOM 0 H ARG A 2 1.527 -4.583 9.133 1.00 0.78 H new ATOM 0 HA ARG A 2 0.389 -5.629 11.596 1.00 0.56 H new ATOM 0 HB2 ARG A 2 -1.421 -4.155 10.304 1.00 0.50 H new ATOM 0 HB3 ARG A 2 -1.513 -5.560 9.261 1.00 0.50 H new ATOM 0 HG2 ARG A 2 -2.021 -6.994 11.196 1.00 0.88 H new ATOM 0 HG3 ARG A 2 -1.867 -5.621 12.274 1.00 0.88 H new ATOM 0 HD2 ARG A 2 -3.738 -4.489 11.031 1.00 1.32 H new ATOM 0 HD3 ARG A 2 -3.925 -5.934 10.057 1.00 1.32 H new ATOM 0 HE ARG A 2 -4.495 -5.710 12.984 1.00 1.72 H new ATOM 0 HH11 ARG A 2 -4.525 -7.615 10.013 1.00 2.94 H new ATOM 0 HH12 ARG A 2 -5.763 -8.729 10.603 1.00 2.94 H new ATOM 0 HH21 ARG A 2 -6.108 -7.129 13.725 1.00 2.90 H new ATOM 0 HH22 ARG A 2 -6.655 -8.456 12.694 1.00 2.90 H new ATOM 342 N ALA A 3 0.105 -7.947 10.180 1.00 0.64 N ATOM 343 CA ALA A 3 0.329 -9.173 9.414 1.00 0.58 C ATOM 344 C ALA A 3 -0.967 -10.002 9.339 1.00 0.60 C ATOM 345 O ALA A 3 -1.895 -9.743 10.109 1.00 1.09 O ATOM 346 CB ALA A 3 1.469 -10.002 10.005 1.00 0.69 C ATOM 0 H ALA A 3 -0.515 -8.049 10.984 1.00 0.64 H new ATOM 0 HA ALA A 3 0.621 -8.888 8.403 1.00 0.58 H new ATOM 0 HB1 ALA A 3 1.608 -10.905 9.411 1.00 0.69 H new ATOM 0 HB2 ALA A 3 2.388 -9.416 9.995 1.00 0.69 H new ATOM 0 HB3 ALA A 3 1.225 -10.276 11.031 1.00 0.69 H new ATOM 352 N GLY A 4 -1.034 -11.003 8.436 1.00 0.44 N ATOM 353 CA GLY A 4 -2.265 -11.758 8.239 1.00 0.52 C ATOM 354 C GLY A 4 -3.472 -10.872 7.967 1.00 0.39 C ATOM 355 O GLY A 4 -4.566 -11.136 8.468 1.00 0.54 O ATOM 0 H GLY A 4 -0.256 -11.296 7.845 1.00 0.44 H new ATOM 0 HA2 GLY A 4 -2.132 -12.447 7.405 1.00 0.52 H new ATOM 0 HA3 GLY A 4 -2.458 -12.363 9.125 1.00 0.52 H new ATOM 359 N THR A 5 -3.279 -9.822 7.175 1.00 0.26 N ATOM 360 CA THR A 5 -4.324 -8.828 6.960 1.00 0.18 C ATOM 361 C THR A 5 -4.687 -8.720 5.472 1.00 0.14 C ATOM 362 O THR A 5 -4.008 -9.302 4.631 1.00 0.15 O ATOM 363 CB THR A 5 -3.866 -7.458 7.500 1.00 0.25 C ATOM 364 OG1 THR A 5 -3.163 -7.653 8.733 1.00 0.38 O ATOM 365 CG2 THR A 5 -5.050 -6.526 7.762 1.00 0.34 C ATOM 0 H THR A 5 -2.411 -9.638 6.673 1.00 0.26 H new ATOM 0 HA THR A 5 -5.215 -9.146 7.501 1.00 0.18 H new ATOM 0 HB THR A 5 -3.225 -7.000 6.747 1.00 0.25 H new ATOM 0 HG1 THR A 5 -2.198 -7.622 8.568 1.00 0.38 H new ATOM 0 HG21 THR A 5 -4.685 -5.572 8.141 1.00 0.34 H new ATOM 0 HG22 THR A 5 -5.596 -6.362 6.833 1.00 0.34 H new ATOM 0 HG23 THR A 5 -5.714 -6.979 8.498 1.00 0.34 H new ATOM 373 N CYS A 6 -5.760 -7.990 5.162 1.00 0.15 N ATOM 374 CA CYS A 6 -6.165 -7.746 3.777 1.00 0.14 C ATOM 375 C CYS A 6 -6.364 -6.260 3.516 1.00 0.13 C ATOM 376 O CYS A 6 -6.713 -5.503 4.422 1.00 0.15 O ATOM 377 CB CYS A 6 -7.452 -8.506 3.464 1.00 0.17 C ATOM 378 SG CYS A 6 -8.612 -8.612 4.848 1.00 0.86 S ATOM 0 H CYS A 6 -6.367 -7.555 5.857 1.00 0.15 H new ATOM 0 HA CYS A 6 -5.368 -8.103 3.125 1.00 0.14 H new ATOM 0 HB2 CYS A 6 -7.950 -8.022 2.624 1.00 0.17 H new ATOM 0 HB3 CYS A 6 -7.195 -9.515 3.143 1.00 0.17 H new ATOM 0 HG CYS A 6 -9.669 -9.272 4.479 1.00 0.86 H new ATOM 384 N CYS A 7 -6.137 -5.844 2.272 1.00 0.12 N ATOM 385 CA CYS A 7 -6.171 -4.425 1.943 1.00 0.11 C ATOM 386 C CYS A 7 -7.605 -3.944 1.679 1.00 0.10 C ATOM 387 O CYS A 7 -8.307 -4.511 0.839 1.00 0.10 O ATOM 388 CB CYS A 7 -5.248 -4.123 0.756 1.00 0.14 C ATOM 389 SG CYS A 7 -5.085 -2.373 0.387 1.00 0.21 S ATOM 0 H CYS A 7 -5.930 -6.461 1.487 1.00 0.12 H new ATOM 0 HA CYS A 7 -5.801 -3.870 2.805 1.00 0.11 H new ATOM 0 HB2 CYS A 7 -4.260 -4.534 0.963 1.00 0.14 H new ATOM 0 HB3 CYS A 7 -5.628 -4.637 -0.127 1.00 0.14 H new ATOM 394 N ALA A 8 -8.009 -2.886 2.408 1.00 0.13 N ATOM 395 CA ALA A 8 -9.345 -2.263 2.328 1.00 0.17 C ATOM 396 C ALA A 8 -9.652 -1.653 0.963 1.00 0.21 C ATOM 397 O ALA A 8 -10.453 -0.723 0.851 1.00 0.31 O ATOM 398 CB ALA A 8 -9.469 -1.173 3.384 1.00 0.18 C ATOM 0 H ALA A 8 -7.400 -2.429 3.086 1.00 0.13 H new ATOM 0 HA ALA A 8 -10.064 -3.064 2.497 1.00 0.17 H new ATOM 0 HB1 ALA A 8 -10.457 -0.716 3.321 1.00 0.18 H new ATOM 0 HB2 ALA A 8 -9.333 -1.608 4.374 1.00 0.18 H new ATOM 0 HB3 ALA A 8 -8.706 -0.413 3.214 1.00 0.18 H new ATOM 404 N ASN A 9 -9.016 -2.162 -0.062 1.00 0.18 N ATOM 405 CA ASN A 9 -9.133 -1.588 -1.386 1.00 0.23 C ATOM 406 C ASN A 9 -8.772 -2.600 -2.459 1.00 0.24 C ATOM 407 O ASN A 9 -9.485 -2.729 -3.451 1.00 0.32 O ATOM 408 CB ASN A 9 -8.221 -0.372 -1.510 1.00 0.26 C ATOM 409 CG ASN A 9 -8.274 0.258 -2.889 1.00 0.38 C ATOM 410 OD1 ASN A 9 -9.346 0.441 -3.464 1.00 0.53 O ATOM 411 ND2 ASN A 9 -7.108 0.536 -3.448 1.00 0.57 N ATOM 0 H ASN A 9 -8.407 -2.978 -0.008 1.00 0.18 H new ATOM 0 HA ASN A 9 -10.171 -1.287 -1.529 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -8.507 0.370 -0.764 1.00 0.26 H new ATOM 0 HB3 ASN A 9 -7.195 -0.667 -1.289 1.00 0.26 H new ATOM 0 HD21 ASN A 9 -7.074 0.918 -4.393 1.00 0.57 H new ATOM 0 HD22 ASN A 9 -6.243 0.368 -2.934 1.00 0.57 H new ATOM 418 N CYS A 10 -7.662 -3.319 -2.278 1.00 0.21 N ATOM 419 CA CYS A 10 -7.200 -4.202 -3.338 1.00 0.28 C ATOM 420 C CYS A 10 -7.044 -5.657 -2.860 1.00 0.22 C ATOM 421 O CYS A 10 -6.566 -6.509 -3.605 1.00 0.31 O ATOM 422 CB CYS A 10 -5.897 -3.643 -3.927 1.00 0.52 C ATOM 423 SG CYS A 10 -4.424 -3.933 -2.931 1.00 0.76 S ATOM 0 H CYS A 10 -7.087 -3.307 -1.436 1.00 0.21 H new ATOM 0 HA CYS A 10 -7.957 -4.233 -4.122 1.00 0.28 H new ATOM 0 HB2 CYS A 10 -5.743 -4.083 -4.912 1.00 0.52 H new ATOM 0 HB3 CYS A 10 -6.013 -2.569 -4.072 1.00 0.52 H new ATOM 428 N GLN A 11 -7.477 -5.925 -1.619 1.00 0.18 N ATOM 429 CA GLN A 11 -7.469 -7.265 -1.007 1.00 0.21 C ATOM 430 C GLN A 11 -6.166 -8.064 -1.160 1.00 0.26 C ATOM 431 O GLN A 11 -6.176 -9.278 -0.961 1.00 0.34 O ATOM 432 CB GLN A 11 -8.639 -8.093 -1.535 1.00 0.24 C ATOM 433 CG GLN A 11 -9.891 -7.987 -0.684 1.00 0.74 C ATOM 434 CD GLN A 11 -11.031 -8.827 -1.222 1.00 1.26 C ATOM 435 OE1 GLN A 11 -11.847 -8.355 -2.012 1.00 1.77 O ATOM 436 NE2 GLN A 11 -11.088 -10.083 -0.806 1.00 1.90 N ATOM 0 H GLN A 11 -7.849 -5.205 -1.000 1.00 0.18 H new ATOM 0 HA GLN A 11 -7.564 -7.075 0.062 1.00 0.21 H new ATOM 0 HB2 GLN A 11 -8.872 -7.772 -2.550 1.00 0.24 H new ATOM 0 HB3 GLN A 11 -8.336 -9.139 -1.593 1.00 0.24 H new ATOM 0 HG2 GLN A 11 -9.662 -8.301 0.334 1.00 0.74 H new ATOM 0 HG3 GLN A 11 -10.205 -6.944 -0.633 1.00 0.74 H new ATOM 0 HE21 GLN A 11 -10.391 -10.435 -0.150 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -11.829 -10.698 -1.142 1.00 1.90 H new ATOM 445 N THR A 12 -5.059 -7.423 -1.510 1.00 0.25 N ATOM 446 CA THR A 12 -3.781 -8.089 -1.428 1.00 0.26 C ATOM 447 C THR A 12 -3.496 -8.437 0.023 1.00 0.21 C ATOM 448 O THR A 12 -3.911 -7.724 0.942 1.00 0.19 O ATOM 449 CB THR A 12 -2.614 -7.247 -1.996 1.00 0.28 C ATOM 450 OG1 THR A 12 -1.454 -8.075 -2.149 1.00 0.33 O ATOM 451 CG2 THR A 12 -2.267 -6.079 -1.077 1.00 0.24 C ATOM 0 H THR A 12 -5.026 -6.461 -1.847 1.00 0.25 H new ATOM 0 HA THR A 12 -3.846 -8.987 -2.042 1.00 0.26 H new ATOM 0 HB THR A 12 -2.930 -6.848 -2.960 1.00 0.28 H new ATOM 0 HG1 THR A 12 -0.716 -7.541 -2.510 1.00 0.33 H new ATOM 0 HG21 THR A 12 -1.443 -5.510 -1.507 1.00 0.24 H new ATOM 0 HG22 THR A 12 -3.137 -5.432 -0.967 1.00 0.24 H new ATOM 0 HG23 THR A 12 -1.973 -6.460 -0.099 1.00 0.24 H new ATOM 459 N THR A 13 -2.827 -9.544 0.212 1.00 0.22 N ATOM 460 CA THR A 13 -2.471 -10.008 1.539 1.00 0.23 C ATOM 461 C THR A 13 -0.981 -10.288 1.605 1.00 0.26 C ATOM 462 O THR A 13 -0.486 -10.949 2.521 1.00 0.42 O ATOM 463 CB THR A 13 -3.275 -11.261 1.920 1.00 0.28 C ATOM 464 OG1 THR A 13 -3.186 -12.239 0.877 1.00 0.33 O ATOM 465 CG2 THR A 13 -4.732 -10.898 2.157 1.00 0.28 C ATOM 0 H THR A 13 -2.511 -10.152 -0.544 1.00 0.22 H new ATOM 0 HA THR A 13 -2.716 -9.225 2.257 1.00 0.23 H new ATOM 0 HB THR A 13 -2.858 -11.676 2.837 1.00 0.28 H new ATOM 0 HG1 THR A 13 -3.700 -13.034 1.130 1.00 0.33 H new ATOM 0 HG21 THR A 13 -5.291 -11.794 2.426 1.00 0.28 H new ATOM 0 HG22 THR A 13 -4.799 -10.172 2.967 1.00 0.28 H new ATOM 0 HG23 THR A 13 -5.152 -10.468 1.248 1.00 0.28 H new ATOM 473 N THR A 14 -0.276 -9.745 0.627 1.00 0.22 N ATOM 474 CA THR A 14 1.171 -9.868 0.563 1.00 0.26 C ATOM 475 C THR A 14 1.794 -8.483 0.694 1.00 0.23 C ATOM 476 O THR A 14 2.344 -7.915 -0.250 1.00 0.36 O ATOM 477 CB THR A 14 1.677 -10.602 -0.720 1.00 0.38 C ATOM 478 OG1 THR A 14 3.101 -10.749 -0.668 1.00 1.26 O ATOM 479 CG2 THR A 14 1.304 -9.887 -2.020 1.00 1.04 C ATOM 0 H THR A 14 -0.686 -9.211 -0.139 1.00 0.22 H new ATOM 0 HA THR A 14 1.487 -10.498 1.395 1.00 0.26 H new ATOM 0 HB THR A 14 1.181 -11.573 -0.729 1.00 0.38 H new ATOM 0 HG1 THR A 14 3.412 -11.211 -1.474 1.00 1.26 H new ATOM 0 HG21 THR A 14 1.687 -10.453 -2.869 1.00 1.04 H new ATOM 0 HG22 THR A 14 0.219 -9.811 -2.095 1.00 1.04 H new ATOM 0 HG23 THR A 14 1.739 -8.888 -2.023 1.00 1.04 H new ATOM 487 N THR A 15 1.696 -7.939 1.889 1.00 0.17 N ATOM 488 CA THR A 15 2.119 -6.567 2.133 1.00 0.17 C ATOM 489 C THR A 15 2.790 -6.438 3.498 1.00 0.20 C ATOM 490 O THR A 15 2.284 -6.939 4.501 1.00 0.26 O ATOM 491 CB THR A 15 0.950 -5.556 2.021 1.00 0.20 C ATOM 492 OG1 THR A 15 0.178 -5.835 0.849 1.00 0.40 O ATOM 493 CG2 THR A 15 1.506 -4.152 1.923 1.00 0.29 C ATOM 0 H THR A 15 1.328 -8.422 2.709 1.00 0.17 H new ATOM 0 HA THR A 15 2.840 -6.323 1.353 1.00 0.17 H new ATOM 0 HB THR A 15 0.317 -5.643 2.904 1.00 0.20 H new ATOM 0 HG1 THR A 15 0.629 -5.460 0.064 1.00 0.40 H new ATOM 0 HG21 THR A 15 0.684 -3.440 1.844 1.00 0.29 H new ATOM 0 HG22 THR A 15 2.094 -3.930 2.814 1.00 0.29 H new ATOM 0 HG23 THR A 15 2.141 -4.073 1.040 1.00 0.29 H new ATOM 501 N THR A 16 3.943 -5.783 3.521 1.00 0.25 N ATOM 502 CA THR A 16 4.710 -5.610 4.746 1.00 0.31 C ATOM 503 C THR A 16 4.317 -4.321 5.481 1.00 0.25 C ATOM 504 O THR A 16 4.688 -4.110 6.636 1.00 0.30 O ATOM 505 CB THR A 16 6.220 -5.576 4.420 1.00 0.43 C ATOM 506 OG1 THR A 16 6.535 -6.617 3.486 1.00 0.51 O ATOM 507 CG2 THR A 16 7.064 -5.759 5.671 1.00 0.54 C ATOM 0 H THR A 16 4.370 -5.360 2.697 1.00 0.25 H new ATOM 0 HA THR A 16 4.489 -6.455 5.398 1.00 0.31 H new ATOM 0 HB THR A 16 6.447 -4.600 3.990 1.00 0.43 H new ATOM 0 HG1 THR A 16 7.493 -6.592 3.279 1.00 0.51 H new ATOM 0 HG21 THR A 16 8.121 -5.730 5.405 1.00 0.54 H new ATOM 0 HG22 THR A 16 6.846 -4.958 6.378 1.00 0.54 H new ATOM 0 HG23 THR A 16 6.832 -6.720 6.129 1.00 0.54 H new ATOM 515 N LEU A 17 3.540 -3.475 4.819 1.00 0.21 N ATOM 516 CA LEU A 17 3.211 -2.153 5.387 1.00 0.21 C ATOM 517 C LEU A 17 1.710 -1.898 5.336 1.00 0.18 C ATOM 518 O LEU A 17 1.184 -1.390 4.344 1.00 0.29 O ATOM 519 CB LEU A 17 3.971 -1.033 4.651 1.00 0.35 C ATOM 520 CG LEU A 17 3.988 0.323 5.357 1.00 0.45 C ATOM 521 CD1 LEU A 17 4.463 0.177 6.795 1.00 0.79 C ATOM 522 CD2 LEU A 17 4.885 1.290 4.605 1.00 0.76 C ATOM 0 H LEU A 17 3.127 -3.664 3.906 1.00 0.21 H new ATOM 0 HA LEU A 17 3.525 -2.151 6.431 1.00 0.21 H new ATOM 0 HB2 LEU A 17 5.001 -1.356 4.497 1.00 0.35 H new ATOM 0 HB3 LEU A 17 3.527 -0.904 3.664 1.00 0.35 H new ATOM 0 HG LEU A 17 2.972 0.717 5.371 1.00 0.45 H new ATOM 0 HD11 LEU A 17 4.467 1.154 7.278 1.00 0.79 H new ATOM 0 HD12 LEU A 17 3.791 -0.491 7.334 1.00 0.79 H new ATOM 0 HD13 LEU A 17 5.471 -0.237 6.805 1.00 0.79 H new ATOM 0 HD21 LEU A 17 4.891 2.253 5.116 1.00 0.76 H new ATOM 0 HD22 LEU A 17 5.899 0.892 4.569 1.00 0.76 H new ATOM 0 HD23 LEU A 17 4.510 1.420 3.590 1.00 0.76 H new ATOM 534 N TRP A 18 1.027 -2.264 6.412 1.00 0.13 N ATOM 535 CA TRP A 18 -0.404 -2.068 6.514 1.00 0.11 C ATOM 536 C TRP A 18 -0.734 -0.711 7.135 1.00 0.12 C ATOM 537 O TRP A 18 -0.790 -0.558 8.358 1.00 0.18 O ATOM 538 CB TRP A 18 -1.035 -3.209 7.312 1.00 0.11 C ATOM 539 CG TRP A 18 -0.881 -4.531 6.633 1.00 0.10 C ATOM 540 CD1 TRP A 18 0.068 -5.467 6.880 1.00 0.12 C ATOM 541 CD2 TRP A 18 -1.700 -5.065 5.580 1.00 0.08 C ATOM 542 NE1 TRP A 18 -0.114 -6.544 6.074 1.00 0.12 N ATOM 543 CE2 TRP A 18 -1.187 -6.329 5.265 1.00 0.09 C ATOM 544 CE3 TRP A 18 -2.816 -4.604 4.881 1.00 0.09 C ATOM 545 CZ2 TRP A 18 -1.745 -7.143 4.290 1.00 0.09 C ATOM 546 CZ3 TRP A 18 -3.380 -5.407 3.911 1.00 0.09 C ATOM 547 CH2 TRP A 18 -2.854 -6.662 3.622 1.00 0.08 C ATOM 0 H TRP A 18 1.450 -2.702 7.231 1.00 0.13 H new ATOM 0 HA TRP A 18 -0.825 -2.075 5.509 1.00 0.11 H new ATOM 0 HB2 TRP A 18 -0.576 -3.255 8.300 1.00 0.11 H new ATOM 0 HB3 TRP A 18 -2.095 -3.002 7.462 1.00 0.11 H new ATOM 0 HD1 TRP A 18 0.856 -5.370 7.613 1.00 0.12 H new ATOM 0 HE1 TRP A 18 0.464 -7.384 6.075 1.00 0.12 H new ATOM 0 HE3 TRP A 18 -3.233 -3.631 5.096 1.00 0.09 H new ATOM 0 HZ2 TRP A 18 -1.329 -8.113 4.063 1.00 0.09 H new ATOM 0 HZ3 TRP A 18 -4.244 -5.055 3.367 1.00 0.09 H new ATOM 0 HH2 TRP A 18 -3.321 -7.271 2.862 1.00 0.08 H new ATOM 558 N ARG A 19 -0.980 0.257 6.264 1.00 0.12 N ATOM 559 CA ARG A 19 -1.370 1.619 6.663 1.00 0.13 C ATOM 560 C ARG A 19 -2.887 1.691 6.845 1.00 0.13 C ATOM 561 O ARG A 19 -3.588 0.727 6.555 1.00 0.15 O ATOM 562 CB ARG A 19 -0.904 2.616 5.582 1.00 0.19 C ATOM 563 CG ARG A 19 -0.158 1.962 4.416 1.00 0.28 C ATOM 564 CD ARG A 19 0.920 2.884 3.864 1.00 0.29 C ATOM 565 NE ARG A 19 2.010 3.030 4.819 1.00 0.61 N ATOM 566 CZ ARG A 19 2.166 4.083 5.610 1.00 1.00 C ATOM 567 NH1 ARG A 19 1.326 5.102 5.519 1.00 2.03 N ATOM 568 NH2 ARG A 19 3.166 4.118 6.481 1.00 1.09 N ATOM 0 H ARG A 19 -0.917 0.128 5.254 1.00 0.12 H new ATOM 0 HA ARG A 19 -0.898 1.877 7.611 1.00 0.13 H new ATOM 0 HB2 ARG A 19 -1.773 3.147 5.193 1.00 0.19 H new ATOM 0 HB3 ARG A 19 -0.256 3.361 6.044 1.00 0.19 H new ATOM 0 HG2 ARG A 19 0.295 1.028 4.749 1.00 0.28 H new ATOM 0 HG3 ARG A 19 -0.864 1.710 3.625 1.00 0.28 H new ATOM 0 HD2 ARG A 19 1.303 2.483 2.926 1.00 0.29 H new ATOM 0 HD3 ARG A 19 0.491 3.861 3.642 1.00 0.29 H new ATOM 0 HE ARG A 19 2.695 2.277 4.883 1.00 0.61 H new ATOM 0 HH11 ARG A 19 0.563 5.075 4.843 1.00 2.03 H new ATOM 0 HH12 ARG A 19 1.442 5.914 6.125 1.00 2.03 H new ATOM 0 HH21 ARG A 19 3.816 3.334 6.543 1.00 1.09 H new ATOM 0 HH22 ARG A 19 3.285 4.929 7.089 1.00 1.09 H new ATOM 582 N ARG A 20 -3.392 2.804 7.372 1.00 0.15 N ATOM 583 CA ARG A 20 -4.825 3.003 7.497 1.00 0.17 C ATOM 584 C ARG A 20 -5.336 4.016 6.489 1.00 0.19 C ATOM 585 O ARG A 20 -4.628 4.958 6.129 1.00 0.25 O ATOM 586 CB ARG A 20 -5.175 3.483 8.898 1.00 0.28 C ATOM 587 CG ARG A 20 -5.122 2.401 9.950 1.00 1.13 C ATOM 588 CD ARG A 20 -5.419 1.026 9.370 1.00 1.98 C ATOM 589 NE ARG A 20 -5.540 0.008 10.406 1.00 2.63 N ATOM 590 CZ ARG A 20 -4.545 -0.790 10.787 1.00 3.24 C ATOM 591 NH1 ARG A 20 -3.352 -0.702 10.205 1.00 3.59 N ATOM 592 NH2 ARG A 20 -4.750 -1.685 11.744 1.00 3.90 N ATOM 0 H ARG A 20 -2.826 3.579 7.718 1.00 0.15 H new ATOM 0 HA ARG A 20 -5.302 2.042 7.303 1.00 0.17 H new ATOM 0 HB2 ARG A 20 -4.489 4.282 9.179 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -6.177 3.913 8.884 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -4.135 2.394 10.413 1.00 1.13 H new ATOM 0 HG3 ARG A 20 -5.842 2.625 10.737 1.00 1.13 H new ATOM 0 HD2 ARG A 20 -6.343 1.068 8.794 1.00 1.98 H new ATOM 0 HD3 ARG A 20 -4.625 0.746 8.678 1.00 1.98 H new ATOM 0 HE ARG A 20 -6.443 -0.100 10.868 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -3.196 -0.020 9.463 1.00 3.59 H new ATOM 0 HH12 ARG A 20 -2.593 -1.316 10.501 1.00 3.59 H new ATOM 0 HH21 ARG A 20 -5.667 -1.760 12.185 1.00 3.90 H new ATOM 0 HH22 ARG A 20 -3.991 -2.299 12.039 1.00 3.90 H new ATOM 606 N ASN A 21 -6.571 3.816 6.042 1.00 0.18 N ATOM 607 CA ASN A 21 -7.231 4.801 5.194 1.00 0.18 C ATOM 608 C ASN A 21 -8.076 5.735 6.077 1.00 0.17 C ATOM 609 O ASN A 21 -7.994 5.622 7.302 1.00 0.17 O ATOM 610 CB ASN A 21 -8.086 4.146 4.082 1.00 0.19 C ATOM 611 CG ASN A 21 -9.403 3.515 4.558 1.00 0.17 C ATOM 612 OD1 ASN A 21 -9.912 3.810 5.639 1.00 0.18 O ATOM 613 ND2 ASN A 21 -9.988 2.658 3.731 1.00 0.20 N ATOM 0 H ASN A 21 -7.131 2.989 6.250 1.00 0.18 H new ATOM 0 HA ASN A 21 -6.466 5.381 4.678 1.00 0.18 H new ATOM 0 HB2 ASN A 21 -8.314 4.900 3.329 1.00 0.19 H new ATOM 0 HB3 ASN A 21 -7.489 3.377 3.592 1.00 0.19 H new ATOM 0 HD21 ASN A 21 -10.878 2.229 3.986 1.00 0.20 H new ATOM 0 HD22 ASN A 21 -9.548 2.428 2.840 1.00 0.20 H new ATOM 620 N ALA A 22 -8.932 6.591 5.489 1.00 0.19 N ATOM 621 CA ALA A 22 -9.651 7.628 6.251 1.00 0.24 C ATOM 622 C ALA A 22 -10.477 7.073 7.418 1.00 0.26 C ATOM 623 O ALA A 22 -10.763 7.786 8.379 1.00 0.36 O ATOM 624 CB ALA A 22 -10.563 8.405 5.322 1.00 0.29 C ATOM 0 H ALA A 22 -9.142 6.585 4.491 1.00 0.19 H new ATOM 0 HA ALA A 22 -8.887 8.275 6.683 1.00 0.24 H new ATOM 0 HB1 ALA A 22 -11.093 9.171 5.889 1.00 0.29 H new ATOM 0 HB2 ALA A 22 -9.969 8.878 4.540 1.00 0.29 H new ATOM 0 HB3 ALA A 22 -11.284 7.725 4.868 1.00 0.29 H new ATOM 630 N ASN A 23 -10.828 5.800 7.353 1.00 0.25 N ATOM 631 CA ASN A 23 -11.727 5.204 8.319 1.00 0.33 C ATOM 632 C ASN A 23 -10.899 4.397 9.302 1.00 0.24 C ATOM 633 O ASN A 23 -11.411 3.745 10.209 1.00 0.35 O ATOM 634 CB ASN A 23 -12.736 4.320 7.590 1.00 0.51 C ATOM 635 CG ASN A 23 -14.000 4.028 8.392 1.00 0.85 C ATOM 636 OD1 ASN A 23 -15.137 3.988 7.713 1.00 1.16 O flip ATOM 637 ND2 ASN A 23 -13.967 3.862 9.609 1.00 1.61 N flip ATOM 0 H ASN A 23 -10.499 5.156 6.633 1.00 0.25 H new ATOM 0 HA ASN A 23 -12.280 5.969 8.863 1.00 0.33 H new ATOM 0 HB2 ASN A 23 -13.016 4.802 6.653 1.00 0.51 H new ATOM 0 HB3 ASN A 23 -12.256 3.376 7.331 1.00 0.51 H new ATOM 0 HD21 ASN A 23 -13.076 3.898 10.105 1.00 1.61 H new ATOM 0 HD22 ASN A 23 -14.830 3.688 10.124 1.00 1.61 H new ATOM 644 N GLY A 24 -9.591 4.469 9.116 1.00 0.17 N ATOM 645 CA GLY A 24 -8.692 3.668 9.898 1.00 0.20 C ATOM 646 C GLY A 24 -8.697 2.246 9.409 1.00 0.18 C ATOM 647 O GLY A 24 -8.395 1.316 10.155 1.00 0.22 O ATOM 0 H GLY A 24 -9.139 5.074 8.431 1.00 0.17 H new ATOM 0 HA2 GLY A 24 -7.683 4.077 9.837 1.00 0.20 H new ATOM 0 HA3 GLY A 24 -8.986 3.700 10.947 1.00 0.20 H new ATOM 651 N ASP A 25 -9.052 2.083 8.144 1.00 0.15 N ATOM 652 CA ASP A 25 -9.179 0.756 7.566 1.00 0.16 C ATOM 653 C ASP A 25 -7.878 0.366 6.887 1.00 0.16 C ATOM 654 O ASP A 25 -7.291 1.158 6.152 1.00 0.26 O ATOM 655 CB ASP A 25 -10.373 0.644 6.605 1.00 0.20 C ATOM 656 CG ASP A 25 -11.592 0.031 7.265 1.00 0.63 C ATOM 657 OD1 ASP A 25 -11.697 -1.214 7.298 1.00 1.27 O ATOM 658 OD2 ASP A 25 -12.458 0.790 7.754 1.00 0.71 O ATOM 0 H ASP A 25 -9.256 2.849 7.502 1.00 0.15 H new ATOM 0 HA ASP A 25 -9.380 0.055 8.376 1.00 0.16 H new ATOM 0 HB2 ASP A 25 -10.627 1.635 6.229 1.00 0.20 H new ATOM 0 HB3 ASP A 25 -10.087 0.040 5.744 1.00 0.20 H new ATOM 663 N PRO A 26 -7.406 -0.849 7.170 1.00 0.11 N ATOM 664 CA PRO A 26 -6.092 -1.336 6.732 1.00 0.10 C ATOM 665 C PRO A 26 -5.900 -1.322 5.219 1.00 0.08 C ATOM 666 O PRO A 26 -6.775 -1.738 4.470 1.00 0.11 O ATOM 667 CB PRO A 26 -6.033 -2.781 7.252 1.00 0.14 C ATOM 668 CG PRO A 26 -7.418 -3.134 7.672 1.00 0.21 C ATOM 669 CD PRO A 26 -8.124 -1.835 7.980 1.00 0.21 C ATOM 0 HA PRO A 26 -5.303 -0.689 7.116 1.00 0.10 H new ATOM 0 HB2 PRO A 26 -5.678 -3.459 6.476 1.00 0.14 H new ATOM 0 HB3 PRO A 26 -5.340 -2.864 8.089 1.00 0.14 H new ATOM 0 HG2 PRO A 26 -7.935 -3.677 6.881 1.00 0.21 H new ATOM 0 HG3 PRO A 26 -7.403 -3.783 8.548 1.00 0.21 H new ATOM 0 HD2 PRO A 26 -9.180 -1.880 7.713 1.00 0.21 H new ATOM 0 HD3 PRO A 26 -8.074 -1.594 9.042 1.00 0.21 H new ATOM 677 N VAL A 27 -4.725 -0.892 4.778 1.00 0.07 N ATOM 678 CA VAL A 27 -4.416 -0.832 3.344 1.00 0.08 C ATOM 679 C VAL A 27 -2.960 -1.189 3.129 1.00 0.10 C ATOM 680 O VAL A 27 -2.121 -0.972 4.001 1.00 0.11 O ATOM 681 CB VAL A 27 -4.698 0.543 2.655 1.00 0.10 C ATOM 682 CG1 VAL A 27 -6.139 0.677 2.213 1.00 0.12 C ATOM 683 CG2 VAL A 27 -4.351 1.727 3.532 1.00 0.12 C ATOM 0 H VAL A 27 -3.968 -0.579 5.386 1.00 0.07 H new ATOM 0 HA VAL A 27 -5.093 -1.547 2.876 1.00 0.08 H new ATOM 0 HB VAL A 27 -4.047 0.553 1.781 1.00 0.10 H new ATOM 0 HG11 VAL A 27 -6.286 1.648 1.740 1.00 0.12 H new ATOM 0 HG12 VAL A 27 -6.376 -0.113 1.500 1.00 0.12 H new ATOM 0 HG13 VAL A 27 -6.795 0.593 3.080 1.00 0.12 H new ATOM 0 HG21 VAL A 27 -4.569 2.652 2.998 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -4.943 1.688 4.447 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -3.291 1.695 3.784 1.00 0.12 H new ATOM 693 N CYS A 28 -2.671 -1.738 1.967 1.00 0.12 N ATOM 694 CA CYS A 28 -1.336 -2.169 1.629 1.00 0.15 C ATOM 695 C CYS A 28 -0.482 -0.924 1.313 1.00 0.13 C ATOM 696 O CYS A 28 -1.045 0.172 1.206 1.00 0.15 O ATOM 697 CB CYS A 28 -1.475 -3.089 0.420 1.00 0.19 C ATOM 698 SG CYS A 28 -1.692 -2.199 -1.122 1.00 0.22 S ATOM 0 H CYS A 28 -3.359 -1.897 1.231 1.00 0.12 H new ATOM 0 HA CYS A 28 -0.844 -2.704 2.441 1.00 0.15 H new ATOM 0 HB2 CYS A 28 -0.589 -3.719 0.347 1.00 0.19 H new ATOM 0 HB3 CYS A 28 -2.326 -3.753 0.572 1.00 0.19 H new ATOM 703 N ASN A 29 0.850 -1.076 1.179 1.00 0.13 N ATOM 704 CA ASN A 29 1.739 0.041 0.840 1.00 0.17 C ATOM 705 C ASN A 29 1.119 0.996 -0.177 1.00 0.15 C ATOM 706 O ASN A 29 0.928 2.155 0.145 1.00 0.16 O ATOM 707 CB ASN A 29 3.116 -0.481 0.357 1.00 0.27 C ATOM 708 CG ASN A 29 4.076 0.598 -0.098 1.00 0.70 C ATOM 709 OD1 ASN A 29 3.749 1.854 0.101 1.00 1.52 O flip ATOM 710 ND2 ASN A 29 5.106 0.290 -0.697 1.00 0.40 N flip ATOM 0 H ASN A 29 1.331 -1.967 1.302 1.00 0.13 H new ATOM 0 HA ASN A 29 1.890 0.618 1.752 1.00 0.17 H new ATOM 0 HB2 ASN A 29 3.580 -1.044 1.167 1.00 0.27 H new ATOM 0 HB3 ASN A 29 2.957 -1.178 -0.466 1.00 0.27 H new ATOM 0 HD21 ASN A 29 5.339 -0.693 -0.839 1.00 0.40 H new ATOM 0 HD22 ASN A 29 5.727 1.018 -1.051 1.00 0.40 H new ATOM 717 N ALA A 30 0.786 0.526 -1.367 1.00 0.17 N ATOM 718 CA ALA A 30 0.310 1.416 -2.421 1.00 0.18 C ATOM 719 C ALA A 30 -0.940 2.194 -2.027 1.00 0.20 C ATOM 720 O ALA A 30 -0.982 3.410 -2.171 1.00 0.19 O ATOM 721 CB ALA A 30 0.053 0.667 -3.704 1.00 0.21 C ATOM 0 H ALA A 30 0.834 -0.458 -1.630 1.00 0.17 H new ATOM 0 HA ALA A 30 1.113 2.136 -2.578 1.00 0.18 H new ATOM 0 HB1 ALA A 30 -0.300 1.361 -4.466 1.00 0.21 H new ATOM 0 HB2 ALA A 30 0.976 0.196 -4.042 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -0.703 -0.099 -3.533 1.00 0.21 H new ATOM 727 N CYS A 31 -1.954 1.507 -1.518 1.00 0.26 N ATOM 728 CA CYS A 31 -3.233 2.160 -1.254 1.00 0.30 C ATOM 729 C CYS A 31 -3.144 3.111 -0.060 1.00 0.32 C ATOM 730 O CYS A 31 -3.864 4.106 -0.006 1.00 0.41 O ATOM 731 CB CYS A 31 -4.354 1.134 -1.091 1.00 0.34 C ATOM 732 SG CYS A 31 -4.444 -0.095 -2.437 1.00 0.39 S ATOM 0 H CYS A 31 -1.920 0.515 -1.282 1.00 0.26 H new ATOM 0 HA CYS A 31 -3.480 2.770 -2.123 1.00 0.30 H new ATOM 0 HB2 CYS A 31 -4.218 0.611 -0.145 1.00 0.34 H new ATOM 0 HB3 CYS A 31 -5.307 1.660 -1.030 1.00 0.34 H new ATOM 737 N GLY A 32 -2.254 2.819 0.878 1.00 0.28 N ATOM 738 CA GLY A 32 -1.972 3.782 1.941 1.00 0.29 C ATOM 739 C GLY A 32 -1.047 4.885 1.463 1.00 0.30 C ATOM 740 O GLY A 32 -1.314 6.058 1.686 1.00 0.46 O ATOM 0 H GLY A 32 -1.726 1.948 0.929 1.00 0.28 H new ATOM 0 HA2 GLY A 32 -2.906 4.218 2.295 1.00 0.29 H new ATOM 0 HA3 GLY A 32 -1.519 3.267 2.788 1.00 0.29 H new ATOM 744 N LEU A 33 0.021 4.508 0.772 1.00 0.19 N ATOM 745 CA LEU A 33 1.028 5.464 0.319 1.00 0.16 C ATOM 746 C LEU A 33 0.392 6.470 -0.591 1.00 0.14 C ATOM 747 O LEU A 33 0.654 7.669 -0.490 1.00 0.15 O ATOM 748 CB LEU A 33 2.167 4.743 -0.416 1.00 0.16 C ATOM 749 CG LEU A 33 3.319 5.592 -0.945 1.00 0.19 C ATOM 750 CD1 LEU A 33 4.640 4.863 -0.772 1.00 0.48 C ATOM 751 CD2 LEU A 33 3.109 5.870 -2.414 1.00 0.54 C ATOM 0 H LEU A 33 0.214 3.541 0.511 1.00 0.19 H new ATOM 0 HA LEU A 33 1.445 5.971 1.189 1.00 0.16 H new ATOM 0 HB2 LEU A 33 2.583 3.997 0.261 1.00 0.16 H new ATOM 0 HB3 LEU A 33 1.734 4.203 -1.258 1.00 0.16 H new ATOM 0 HG LEU A 33 3.346 6.526 -0.384 1.00 0.19 H new ATOM 0 HD11 LEU A 33 5.451 5.483 -1.155 1.00 0.48 H new ATOM 0 HD12 LEU A 33 4.807 4.659 0.286 1.00 0.48 H new ATOM 0 HD13 LEU A 33 4.612 3.923 -1.323 1.00 0.48 H new ATOM 0 HD21 LEU A 33 3.932 6.477 -2.791 1.00 0.54 H new ATOM 0 HD22 LEU A 33 3.072 4.928 -2.961 1.00 0.54 H new ATOM 0 HD23 LEU A 33 2.170 6.407 -2.552 1.00 0.54 H new ATOM 763 N TYR A 34 -0.475 5.990 -1.465 1.00 0.14 N ATOM 764 CA TYR A 34 -1.041 6.852 -2.441 1.00 0.16 C ATOM 765 C TYR A 34 -2.010 7.830 -1.803 1.00 0.13 C ATOM 766 O TYR A 34 -2.027 9.012 -2.137 1.00 0.15 O ATOM 767 CB TYR A 34 -1.727 6.034 -3.532 1.00 0.24 C ATOM 768 CG TYR A 34 -2.359 6.846 -4.620 1.00 0.25 C ATOM 769 CD1 TYR A 34 -3.649 7.325 -4.495 1.00 0.26 C ATOM 770 CD2 TYR A 34 -1.669 7.109 -5.783 1.00 0.30 C ATOM 771 CE1 TYR A 34 -4.238 8.051 -5.508 1.00 0.32 C ATOM 772 CE2 TYR A 34 -2.242 7.834 -6.801 1.00 0.35 C ATOM 773 CZ TYR A 34 -3.529 8.305 -6.662 1.00 0.36 C ATOM 774 OH TYR A 34 -4.106 9.031 -7.675 1.00 0.44 O ATOM 0 H TYR A 34 -0.788 5.020 -1.505 1.00 0.14 H new ATOM 0 HA TYR A 34 -0.239 7.432 -2.898 1.00 0.16 H new ATOM 0 HB2 TYR A 34 -0.994 5.362 -3.978 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -2.493 5.410 -3.072 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -4.204 7.128 -3.590 1.00 0.26 H new ATOM 0 HD2 TYR A 34 -0.661 6.739 -5.897 1.00 0.30 H new ATOM 0 HE1 TYR A 34 -5.248 8.418 -5.398 1.00 0.32 H new ATOM 0 HE2 TYR A 34 -1.686 8.033 -7.705 1.00 0.35 H new ATOM 0 HH TYR A 34 -3.471 9.120 -8.416 1.00 0.44 H new ATOM 784 N TYR A 35 -2.811 7.334 -0.880 1.00 0.14 N ATOM 785 CA TYR A 35 -3.776 8.168 -0.184 1.00 0.17 C ATOM 786 C TYR A 35 -3.088 9.191 0.706 1.00 0.16 C ATOM 787 O TYR A 35 -3.633 10.260 0.968 1.00 0.20 O ATOM 788 CB TYR A 35 -4.719 7.303 0.654 1.00 0.24 C ATOM 789 CG TYR A 35 -5.781 8.084 1.371 1.00 0.30 C ATOM 790 CD1 TYR A 35 -6.942 8.434 0.731 1.00 0.35 C ATOM 791 CD2 TYR A 35 -5.615 8.469 2.686 1.00 0.50 C ATOM 792 CE1 TYR A 35 -7.923 9.146 1.359 1.00 0.42 C ATOM 793 CE2 TYR A 35 -6.586 9.187 3.337 1.00 0.57 C ATOM 794 CZ TYR A 35 -7.748 9.528 2.669 1.00 0.45 C ATOM 795 OH TYR A 35 -8.735 10.241 3.310 1.00 0.57 O ATOM 0 H TYR A 35 -2.814 6.355 -0.593 1.00 0.14 H new ATOM 0 HA TYR A 35 -4.352 8.705 -0.937 1.00 0.17 H new ATOM 0 HB2 TYR A 35 -5.197 6.569 0.005 1.00 0.24 H new ATOM 0 HB3 TYR A 35 -4.133 6.747 1.386 1.00 0.24 H new ATOM 0 HD1 TYR A 35 -7.084 8.138 -0.298 1.00 0.35 H new ATOM 0 HD2 TYR A 35 -4.709 8.202 3.209 1.00 0.50 H new ATOM 0 HE1 TYR A 35 -8.829 9.407 0.832 1.00 0.42 H new ATOM 0 HE2 TYR A 35 -6.444 9.484 4.365 1.00 0.57 H new ATOM 0 HH TYR A 35 -8.456 10.431 4.230 1.00 0.57 H new ATOM 805 N LYS A 36 -1.880 8.891 1.145 1.00 0.15 N ATOM 806 CA LYS A 36 -1.176 9.805 2.038 1.00 0.21 C ATOM 807 C LYS A 36 -0.586 10.930 1.241 1.00 0.22 C ATOM 808 O LYS A 36 -0.271 12.005 1.752 1.00 0.32 O ATOM 809 CB LYS A 36 -0.070 9.099 2.779 1.00 0.28 C ATOM 810 CG LYS A 36 -0.483 8.556 4.138 1.00 0.38 C ATOM 811 CD LYS A 36 -1.593 7.506 4.090 1.00 0.50 C ATOM 812 CE LYS A 36 -2.068 7.116 5.486 1.00 0.84 C ATOM 813 NZ LYS A 36 -2.863 8.195 6.133 1.00 1.23 N ATOM 0 H LYS A 36 -1.370 8.040 0.907 1.00 0.15 H new ATOM 0 HA LYS A 36 -1.894 10.189 2.763 1.00 0.21 H new ATOM 0 HB2 LYS A 36 0.296 8.275 2.166 1.00 0.28 H new ATOM 0 HB3 LYS A 36 0.762 9.790 2.913 1.00 0.28 H new ATOM 0 HG2 LYS A 36 0.391 8.121 4.622 1.00 0.38 H new ATOM 0 HG3 LYS A 36 -0.813 9.387 4.762 1.00 0.38 H new ATOM 0 HD2 LYS A 36 -2.434 7.893 3.515 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -1.232 6.620 3.569 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -2.672 6.211 5.422 1.00 0.84 H new ATOM 0 HE3 LYS A 36 -1.205 6.880 6.109 1.00 0.84 H new ATOM 0 HZ1 LYS A 36 -3.635 7.773 6.688 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -2.248 8.750 6.762 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -3.263 8.818 5.402 1.00 1.23 H new ATOM 827 N LEU A 37 -0.455 10.646 -0.019 1.00 0.20 N ATOM 828 CA LEU A 37 0.136 11.568 -0.960 1.00 0.24 C ATOM 829 C LEU A 37 -0.950 12.373 -1.655 1.00 0.25 C ATOM 830 O LEU A 37 -0.837 13.583 -1.842 1.00 0.31 O ATOM 831 CB LEU A 37 0.960 10.807 -2.015 1.00 0.29 C ATOM 832 CG LEU A 37 2.456 10.644 -1.740 1.00 0.49 C ATOM 833 CD1 LEU A 37 2.745 10.333 -0.279 1.00 1.19 C ATOM 834 CD2 LEU A 37 3.029 9.537 -2.611 1.00 0.67 C ATOM 0 H LEU A 37 -0.755 9.763 -0.433 1.00 0.20 H new ATOM 0 HA LEU A 37 0.794 12.242 -0.412 1.00 0.24 H new ATOM 0 HB2 LEU A 37 0.527 9.814 -2.132 1.00 0.29 H new ATOM 0 HB3 LEU A 37 0.845 11.320 -2.970 1.00 0.29 H new ATOM 0 HG LEU A 37 2.930 11.596 -1.979 1.00 0.49 H new ATOM 0 HD11 LEU A 37 3.820 10.227 -0.135 1.00 1.19 H new ATOM 0 HD12 LEU A 37 2.374 11.145 0.346 1.00 1.19 H new ATOM 0 HD13 LEU A 37 2.248 9.404 0.000 1.00 1.19 H new ATOM 0 HD21 LEU A 37 4.094 9.429 -2.408 1.00 0.67 H new ATOM 0 HD22 LEU A 37 2.520 8.599 -2.389 1.00 0.67 H new ATOM 0 HD23 LEU A 37 2.884 9.789 -3.662 1.00 0.67 H new ATOM 846 N HIS A 38 -2.015 11.680 -2.022 1.00 0.23 N ATOM 847 CA HIS A 38 -2.997 12.220 -2.946 1.00 0.28 C ATOM 848 C HIS A 38 -4.403 12.315 -2.354 1.00 0.30 C ATOM 849 O HIS A 38 -5.325 12.766 -3.028 1.00 0.37 O ATOM 850 CB HIS A 38 -2.995 11.346 -4.195 1.00 0.29 C ATOM 851 CG HIS A 38 -1.645 11.294 -4.851 1.00 0.35 C ATOM 852 ND1 HIS A 38 -0.821 10.249 -5.096 1.00 1.00 N flip ATOM 853 CD2 HIS A 38 -0.950 12.419 -5.244 1.00 1.02 C flip ATOM 854 CE1 HIS A 38 0.338 10.755 -5.619 1.00 0.77 C flip ATOM 855 NE2 HIS A 38 0.239 12.065 -5.695 1.00 0.69 N flip ATOM 0 H HIS A 38 -2.222 10.737 -1.692 1.00 0.23 H new ATOM 0 HA HIS A 38 -2.715 13.246 -3.183 1.00 0.28 H new ATOM 0 HB2 HIS A 38 -3.307 10.336 -3.930 1.00 0.29 H new ATOM 0 HB3 HIS A 38 -3.727 11.729 -4.905 1.00 0.29 H new ATOM 0 HD1 HIS A 38 -1.026 9.265 -4.923 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -1.321 13.432 -5.191 1.00 1.02 H new ATOM 0 HE1 HIS A 38 1.196 10.173 -5.921 1.00 0.77 H new ATOM 864 N ASN A 39 -4.556 11.899 -1.099 1.00 0.26 N ATOM 865 CA ASN A 39 -5.847 12.002 -0.379 1.00 0.30 C ATOM 866 C ASN A 39 -6.943 11.157 -1.005 1.00 0.32 C ATOM 867 O ASN A 39 -8.126 11.393 -0.761 1.00 0.40 O ATOM 868 CB ASN A 39 -6.354 13.428 -0.351 1.00 0.39 C ATOM 869 CG ASN A 39 -5.441 14.389 0.425 1.00 1.01 C ATOM 870 OD1 ASN A 39 -4.335 14.011 0.819 1.00 1.57 O ATOM 871 ND2 ASN A 39 -5.853 15.649 0.627 1.00 1.87 N ATOM 0 H ASN A 39 -3.805 11.484 -0.548 1.00 0.26 H new ATOM 0 HA ASN A 39 -5.635 11.640 0.627 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -6.460 13.787 -1.375 1.00 0.39 H new ATOM 0 HB3 ASN A 39 -7.348 13.443 0.097 1.00 0.39 H new ATOM 0 HD21 ASN A 39 -5.249 16.311 1.113 1.00 1.87 H new ATOM 0 HD22 ASN A 39 -6.771 15.945 0.295 1.00 1.87 H new ATOM 878 N VAL A 40 -6.569 10.185 -1.800 1.00 0.30 N ATOM 879 CA VAL A 40 -7.548 9.255 -2.351 1.00 0.38 C ATOM 880 C VAL A 40 -6.939 7.887 -2.469 1.00 0.37 C ATOM 881 O VAL A 40 -5.721 7.745 -2.404 1.00 0.30 O ATOM 882 CB VAL A 40 -8.142 9.668 -3.722 1.00 0.45 C ATOM 883 CG1 VAL A 40 -9.484 10.338 -3.537 1.00 0.59 C ATOM 884 CG2 VAL A 40 -7.219 10.588 -4.496 1.00 0.42 C ATOM 0 H VAL A 40 -5.605 10.010 -2.083 1.00 0.30 H new ATOM 0 HA VAL A 40 -8.381 9.263 -1.648 1.00 0.38 H new ATOM 0 HB VAL A 40 -8.264 8.753 -4.301 1.00 0.45 H new ATOM 0 HG11 VAL A 40 -9.886 10.621 -4.510 1.00 0.59 H new ATOM 0 HG12 VAL A 40 -10.171 9.648 -3.047 1.00 0.59 H new ATOM 0 HG13 VAL A 40 -9.364 11.229 -2.921 1.00 0.59 H new ATOM 0 HG21 VAL A 40 -7.680 10.849 -5.449 1.00 0.42 H new ATOM 0 HG22 VAL A 40 -7.042 11.495 -3.919 1.00 0.42 H new ATOM 0 HG23 VAL A 40 -6.271 10.083 -4.678 1.00 0.42 H new ATOM 894 N ASN A 41 -7.776 6.881 -2.633 1.00 0.50 N ATOM 895 CA ASN A 41 -7.282 5.519 -2.720 1.00 0.55 C ATOM 896 C ASN A 41 -6.513 5.339 -4.012 1.00 0.44 C ATOM 897 O ASN A 41 -6.673 6.122 -4.950 1.00 0.43 O ATOM 898 CB ASN A 41 -8.411 4.495 -2.646 1.00 0.78 C ATOM 899 CG ASN A 41 -8.764 4.122 -1.224 1.00 1.16 C ATOM 900 OD1 ASN A 41 -8.205 3.185 -0.656 1.00 1.73 O ATOM 901 ND2 ASN A 41 -9.696 4.854 -0.644 1.00 1.16 N ATOM 0 H ASN A 41 -8.789 6.977 -2.708 1.00 0.50 H new ATOM 0 HA ASN A 41 -6.626 5.349 -1.866 1.00 0.55 H new ATOM 0 HB2 ASN A 41 -9.294 4.897 -3.142 1.00 0.78 H new ATOM 0 HB3 ASN A 41 -8.119 3.598 -3.192 1.00 0.78 H new ATOM 0 HD21 ASN A 41 -9.980 4.652 0.315 1.00 1.16 H new ATOM 0 HD22 ASN A 41 -10.132 5.622 -1.154 1.00 1.16 H new ATOM 908 N ARG A 42 -5.693 4.308 -4.069 1.00 0.46 N ATOM 909 CA ARG A 42 -4.849 4.089 -5.226 1.00 0.39 C ATOM 910 C ARG A 42 -5.630 3.374 -6.316 1.00 0.45 C ATOM 911 O ARG A 42 -6.101 2.257 -6.102 1.00 0.51 O ATOM 912 CB ARG A 42 -3.611 3.274 -4.835 1.00 0.48 C ATOM 913 CG ARG A 42 -2.743 2.840 -6.009 1.00 1.13 C ATOM 914 CD ARG A 42 -2.151 4.013 -6.775 1.00 1.57 C ATOM 915 NE ARG A 42 -1.486 3.566 -7.999 1.00 2.08 N ATOM 916 CZ ARG A 42 -0.638 4.303 -8.719 1.00 2.71 C ATOM 917 NH1 ARG A 42 -0.319 5.531 -8.336 1.00 3.32 N ATOM 918 NH2 ARG A 42 -0.107 3.800 -9.825 1.00 3.14 N ATOM 0 H ARG A 42 -5.594 3.611 -3.331 1.00 0.46 H new ATOM 0 HA ARG A 42 -4.521 5.056 -5.608 1.00 0.39 H new ATOM 0 HB2 ARG A 42 -3.004 3.866 -4.150 1.00 0.48 H new ATOM 0 HB3 ARG A 42 -3.933 2.387 -4.290 1.00 0.48 H new ATOM 0 HG2 ARG A 42 -1.935 2.208 -5.642 1.00 1.13 H new ATOM 0 HG3 ARG A 42 -3.339 2.232 -6.690 1.00 1.13 H new ATOM 0 HD2 ARG A 42 -2.940 4.722 -7.025 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -1.437 4.540 -6.142 1.00 1.57 H new ATOM 0 HE ARG A 42 -1.685 2.621 -8.326 1.00 2.08 H new ATOM 0 HH11 ARG A 42 -0.723 5.921 -7.484 1.00 3.32 H new ATOM 0 HH12 ARG A 42 0.330 6.087 -8.893 1.00 3.32 H new ATOM 0 HH21 ARG A 42 -0.347 2.854 -10.122 1.00 3.14 H new ATOM 0 HH22 ARG A 42 0.542 4.359 -10.379 1.00 3.14 H new ATOM 932 N PRO A 43 -5.844 4.028 -7.472 1.00 0.53 N ATOM 933 CA PRO A 43 -6.359 3.350 -8.657 1.00 0.67 C ATOM 934 C PRO A 43 -5.452 2.199 -9.055 1.00 0.66 C ATOM 935 O PRO A 43 -4.242 2.370 -9.227 1.00 0.68 O ATOM 936 CB PRO A 43 -6.366 4.441 -9.725 1.00 0.80 C ATOM 937 CG PRO A 43 -6.481 5.697 -8.946 1.00 0.73 C ATOM 938 CD PRO A 43 -5.662 5.472 -7.710 1.00 0.55 C ATOM 0 HA PRO A 43 -7.344 2.911 -8.501 1.00 0.67 H new ATOM 0 HB2 PRO A 43 -5.454 4.422 -10.322 1.00 0.80 H new ATOM 0 HB3 PRO A 43 -7.201 4.320 -10.415 1.00 0.80 H new ATOM 0 HG2 PRO A 43 -6.108 6.549 -9.515 1.00 0.73 H new ATOM 0 HG3 PRO A 43 -7.520 5.911 -8.696 1.00 0.73 H new ATOM 0 HD2 PRO A 43 -4.614 5.730 -7.864 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -6.018 6.071 -6.872 1.00 0.55 H new ATOM 946 N LEU A 44 -6.040 1.029 -9.174 1.00 0.72 N ATOM 947 CA LEU A 44 -5.296 -0.184 -9.414 1.00 0.73 C ATOM 948 C LEU A 44 -5.971 -0.972 -10.523 1.00 1.12 C ATOM 949 O LEU A 44 -6.505 -0.387 -11.473 1.00 1.52 O ATOM 950 CB LEU A 44 -5.247 -1.031 -8.136 1.00 0.81 C ATOM 951 CG LEU A 44 -4.782 -0.308 -6.871 1.00 0.88 C ATOM 952 CD1 LEU A 44 -5.392 -0.966 -5.657 1.00 1.80 C ATOM 953 CD2 LEU A 44 -3.266 -0.321 -6.740 1.00 0.84 C ATOM 0 H LEU A 44 -7.049 0.894 -9.107 1.00 0.72 H new ATOM 0 HA LEU A 44 -4.278 0.069 -9.709 1.00 0.73 H new ATOM 0 HB2 LEU A 44 -6.242 -1.436 -7.954 1.00 0.81 H new ATOM 0 HB3 LEU A 44 -4.584 -1.879 -8.311 1.00 0.81 H new ATOM 0 HG LEU A 44 -5.108 0.730 -6.942 1.00 0.88 H new ATOM 0 HD11 LEU A 44 -5.059 -0.449 -4.757 1.00 1.80 H new ATOM 0 HD12 LEU A 44 -6.479 -0.916 -5.723 1.00 1.80 H new ATOM 0 HD13 LEU A 44 -5.079 -2.009 -5.613 1.00 1.80 H new ATOM 0 HD21 LEU A 44 -2.975 0.202 -5.829 1.00 0.84 H new ATOM 0 HD22 LEU A 44 -2.914 -1.351 -6.695 1.00 0.84 H new ATOM 0 HD23 LEU A 44 -2.822 0.177 -7.602 1.00 0.84 H new ATOM 965 N THR A 45 -5.942 -2.295 -10.392 1.00 1.43 N ATOM 966 CA THR A 45 -6.622 -3.202 -11.303 1.00 1.89 C ATOM 967 C THR A 45 -5.883 -3.335 -12.626 1.00 2.49 C ATOM 968 O THR A 45 -5.518 -4.434 -13.043 1.00 3.12 O ATOM 969 CB THR A 45 -8.075 -2.751 -11.548 1.00 2.47 C ATOM 970 OG1 THR A 45 -8.754 -2.598 -10.293 1.00 2.85 O ATOM 971 CG2 THR A 45 -8.822 -3.753 -12.406 1.00 3.21 C ATOM 0 H THR A 45 -5.440 -2.770 -9.642 1.00 1.43 H new ATOM 0 HA THR A 45 -6.634 -4.183 -10.827 1.00 1.89 H new ATOM 0 HB THR A 45 -8.049 -1.797 -12.075 1.00 2.47 H new ATOM 0 HG1 THR A 45 -9.677 -2.310 -10.453 1.00 2.85 H new ATOM 0 HG21 THR A 45 -9.844 -3.408 -12.562 1.00 3.21 H new ATOM 0 HG22 THR A 45 -8.321 -3.852 -13.369 1.00 3.21 H new ATOM 0 HG23 THR A 45 -8.838 -4.721 -11.905 1.00 3.21 H new ATOM 979 N MET A 46 -5.651 -2.211 -13.255 1.00 3.01 N ATOM 980 CA MET A 46 -5.016 -2.171 -14.561 1.00 4.06 C ATOM 981 C MET A 46 -4.535 -0.767 -14.875 1.00 4.82 C ATOM 982 O MET A 46 -3.340 -0.516 -15.031 1.00 5.29 O ATOM 983 CB MET A 46 -6.003 -2.636 -15.637 1.00 4.43 C ATOM 984 CG MET A 46 -5.397 -2.728 -17.026 1.00 5.26 C ATOM 985 SD MET A 46 -4.087 -3.961 -17.135 1.00 5.98 S ATOM 986 CE MET A 46 -4.996 -5.457 -16.754 1.00 6.47 C ATOM 0 H MET A 46 -5.895 -1.294 -12.882 1.00 3.01 H new ATOM 0 HA MET A 46 -4.156 -2.840 -14.550 1.00 4.06 H new ATOM 0 HB2 MET A 46 -6.397 -3.613 -15.357 1.00 4.43 H new ATOM 0 HB3 MET A 46 -6.848 -1.947 -15.664 1.00 4.43 H new ATOM 0 HG2 MET A 46 -6.180 -2.972 -17.744 1.00 5.26 H new ATOM 0 HG3 MET A 46 -4.998 -1.754 -17.309 1.00 5.26 H new ATOM 0 HE1 MET A 46 -4.433 -6.323 -17.101 1.00 6.47 H new ATOM 0 HE2 MET A 46 -5.144 -5.529 -15.676 1.00 6.47 H new ATOM 0 HE3 MET A 46 -5.965 -5.431 -17.252 1.00 6.47 H new ATOM 996 N LYS A 47 -5.488 0.135 -14.951 1.00 5.35 N ATOM 997 CA LYS A 47 -5.230 1.528 -15.290 1.00 6.39 C ATOM 998 C LYS A 47 -6.476 2.359 -15.003 1.00 6.45 C ATOM 999 O LYS A 47 -6.906 3.161 -15.834 1.00 7.14 O ATOM 1000 CB LYS A 47 -4.842 1.649 -16.769 1.00 7.52 C ATOM 1001 CG LYS A 47 -5.919 1.144 -17.714 1.00 8.31 C ATOM 1002 CD LYS A 47 -5.485 1.217 -19.163 1.00 9.24 C ATOM 1003 CE LYS A 47 -6.625 0.852 -20.098 1.00 10.03 C ATOM 1004 NZ LYS A 47 -7.210 -0.479 -19.779 1.00 10.60 N ATOM 0 H LYS A 47 -6.472 -0.073 -14.779 1.00 5.35 H new ATOM 0 HA LYS A 47 -4.403 1.899 -14.684 1.00 6.39 H new ATOM 0 HB2 LYS A 47 -4.628 2.693 -16.997 1.00 7.52 H new ATOM 0 HB3 LYS A 47 -3.923 1.089 -16.944 1.00 7.52 H new ATOM 0 HG2 LYS A 47 -6.168 0.113 -17.462 1.00 8.31 H new ATOM 0 HG3 LYS A 47 -6.826 1.733 -17.577 1.00 8.31 H new ATOM 0 HD2 LYS A 47 -5.134 2.224 -19.390 1.00 9.24 H new ATOM 0 HD3 LYS A 47 -4.646 0.542 -19.328 1.00 9.24 H new ATOM 0 HE2 LYS A 47 -7.403 1.613 -20.035 1.00 10.03 H new ATOM 0 HE3 LYS A 47 -6.263 0.851 -21.126 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 -7.742 -0.831 -20.601 1.00 10.60 H new ATOM 0 HZ2 LYS A 47 -6.447 -1.147 -19.548 1.00 10.60 H new ATOM 0 HZ3 LYS A 47 -7.851 -0.390 -18.965 1.00 10.60 H new ATOM 1018 N LYS A 48 -7.039 2.168 -13.812 1.00 6.06 N ATOM 1019 CA LYS A 48 -8.335 2.751 -13.455 1.00 6.40 C ATOM 1020 C LYS A 48 -9.405 2.266 -14.441 1.00 6.04 C ATOM 1021 O LYS A 48 -9.724 2.948 -15.415 1.00 6.58 O ATOM 1022 CB LYS A 48 -8.250 4.291 -13.448 1.00 7.59 C ATOM 1023 CG LYS A 48 -9.280 4.994 -12.563 1.00 8.29 C ATOM 1024 CD LYS A 48 -10.708 4.859 -13.086 1.00 9.18 C ATOM 1025 CE LYS A 48 -10.912 5.617 -14.392 1.00 9.92 C ATOM 1026 NZ LYS A 48 -10.700 7.079 -14.231 1.00 10.22 N ATOM 0 H LYS A 48 -6.616 1.610 -13.071 1.00 6.06 H new ATOM 0 HA LYS A 48 -8.610 2.427 -12.451 1.00 6.40 H new ATOM 0 HB2 LYS A 48 -7.252 4.583 -13.120 1.00 7.59 H new ATOM 0 HB3 LYS A 48 -8.367 4.650 -14.470 1.00 7.59 H new ATOM 0 HG2 LYS A 48 -9.227 4.581 -11.556 1.00 8.29 H new ATOM 0 HG3 LYS A 48 -9.025 6.051 -12.488 1.00 8.29 H new ATOM 0 HD2 LYS A 48 -10.940 3.805 -13.239 1.00 9.18 H new ATOM 0 HD3 LYS A 48 -11.405 5.234 -12.337 1.00 9.18 H new ATOM 0 HE2 LYS A 48 -10.224 5.232 -15.145 1.00 9.92 H new ATOM 0 HE3 LYS A 48 -11.922 5.436 -14.761 1.00 9.92 H new ATOM 0 HZ1 LYS A 48 -11.073 7.578 -15.064 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -11.195 7.410 -13.379 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -9.683 7.274 -14.138 1.00 10.22 H new ATOM 1040 N GLU A 49 -9.938 1.075 -14.199 1.00 5.38 N ATOM 1041 CA GLU A 49 -10.955 0.507 -15.070 1.00 5.42 C ATOM 1042 C GLU A 49 -12.337 0.961 -14.627 1.00 5.55 C ATOM 1043 O GLU A 49 -12.901 1.869 -15.268 1.00 5.89 O ATOM 1044 CB GLU A 49 -10.871 -1.021 -15.065 1.00 5.41 C ATOM 1045 CG GLU A 49 -9.573 -1.566 -15.643 1.00 5.86 C ATOM 1046 CD GLU A 49 -9.406 -1.251 -17.118 1.00 6.53 C ATOM 1047 OE1 GLU A 49 -10.052 -1.921 -17.950 1.00 7.00 O ATOM 1048 OE2 GLU A 49 -8.616 -0.347 -17.457 1.00 6.85 O ATOM 1049 OXT GLU A 49 -12.846 0.427 -13.619 1.00 5.74 O ATOM 0 H GLU A 49 -9.682 0.485 -13.407 1.00 5.38 H new ATOM 0 HA GLU A 49 -10.779 0.859 -16.086 1.00 5.42 H new ATOM 0 HB2 GLU A 49 -10.980 -1.378 -14.041 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -11.709 -1.424 -15.634 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -8.731 -1.149 -15.090 1.00 5.86 H new ATOM 0 HG3 GLU A 49 -9.543 -2.646 -15.502 1.00 5.86 H new TER 1056 GLU A 49 HETATM 1057 ZN ZN A 101 -3.922 -2.148 -1.569 1.00 0.29 ZN