USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=18 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= 0.926 K(o=2,f=-6.1!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -156:sc= 1.04 (180deg=-0.829) USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= -0.589 USER MOD Set 2.2: A 39 ASN : amide:sc= 0.162 K(o=-0.43,f=0.19) USER MOD Set 3.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 38 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.5!) USER MOD Single : A 5 THR OG1 : rot -57:sc= -3.27! USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0432 USER MOD Single : A 9 ASN : amide:sc= 1.09 K(o=1.1,f=-0.42) 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 -161:sc= -0.718 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -57:sc= 0.08 USER MOD Single : A 15 THR OG1 : rot -90:sc= -0.699 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.326 K(o=0.33,f=-15!) USER MOD Single : A 23 ASN : amide:sc= 0.0839 K(o=0.084,f=-0.45) USER MOD Single : A 29 ASN : amide:sc= -7.23! C(o=-7.2!,f=-6.2!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 165:sc= -0.0917 (180deg=-0.424) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0762 (180deg=-0.385) 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=-0.0045) USER MOD Single : A -12 HIS : no HE2:sc= 1.27 K(o=1.3,f=-4.1!) USER MOD Single : A -13 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.0021) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A -15 HIS : no HD1:sc= -0.757 X(o=-0.76,f=-0.45) USER MOD Single : A -16 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ -179:sc= 0 (180deg=-0.00698) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 11.847 -23.583 3.879 1.00 16.77 N ATOM 2 CA MET A -18 10.846 -24.034 2.886 1.00 16.30 C ATOM 3 C MET A -18 10.600 -22.962 1.830 1.00 15.80 C ATOM 4 O MET A -18 10.583 -23.250 0.633 1.00 15.75 O ATOM 5 CB MET A -18 9.526 -24.386 3.577 1.00 16.41 C ATOM 6 CG MET A -18 8.440 -24.845 2.615 1.00 16.85 C ATOM 7 SD MET A -18 6.887 -25.241 3.446 1.00 17.18 S ATOM 8 CE MET A -18 5.847 -25.642 2.041 1.00 17.45 C ATOM 0 H1 MET A -18 12.008 -24.337 4.576 1.00 16.77 H new ATOM 0 H2 MET A -18 12.741 -23.362 3.395 1.00 16.77 H new ATOM 0 H3 MET A -18 11.496 -22.733 4.364 1.00 16.77 H new ATOM 0 HA MET A -18 11.243 -24.923 2.395 1.00 16.30 H new ATOM 0 HB2 MET A -18 9.707 -25.172 4.310 1.00 16.41 H new ATOM 0 HB3 MET A -18 9.169 -23.515 4.126 1.00 16.41 H new ATOM 0 HG2 MET A -18 8.262 -24.063 1.876 1.00 16.85 H new ATOM 0 HG3 MET A -18 8.790 -25.723 2.072 1.00 16.85 H new ATOM 0 HE1 MET A -18 4.850 -25.909 2.391 1.00 17.45 H new ATOM 0 HE2 MET A -18 5.780 -24.778 1.379 1.00 17.45 H new ATOM 0 HE3 MET A -18 6.278 -26.483 1.498 1.00 17.45 H new ATOM 20 N ALA A -17 10.411 -21.727 2.273 1.00 15.58 N ATOM 21 CA ALA A -17 10.086 -20.637 1.366 1.00 15.28 C ATOM 22 C ALA A -17 11.345 -19.998 0.795 1.00 14.65 C ATOM 23 O ALA A -17 12.406 -20.029 1.418 1.00 14.54 O ATOM 24 CB ALA A -17 9.240 -19.595 2.079 1.00 15.75 C ATOM 0 H ALA A -17 10.477 -21.456 3.254 1.00 15.58 H new ATOM 0 HA ALA A -17 9.514 -21.049 0.535 1.00 15.28 H new ATOM 0 HB1 ALA A -17 9.003 -18.785 1.390 1.00 15.75 H new ATOM 0 HB2 ALA A -17 8.316 -20.055 2.430 1.00 15.75 H new ATOM 0 HB3 ALA A -17 9.793 -19.198 2.930 1.00 15.75 H new ATOM 30 N HIS A -16 11.220 -19.441 -0.401 1.00 14.40 N ATOM 31 CA HIS A -16 12.310 -18.716 -1.041 1.00 13.97 C ATOM 32 C HIS A -16 11.777 -17.440 -1.674 1.00 13.40 C ATOM 33 O HIS A -16 10.870 -17.489 -2.505 1.00 13.34 O ATOM 34 CB HIS A -16 12.992 -19.573 -2.117 1.00 14.30 C ATOM 35 CG HIS A -16 13.762 -20.737 -1.577 1.00 14.69 C ATOM 36 ND1 HIS A -16 13.483 -22.045 -1.910 1.00 15.06 N ATOM 37 CD2 HIS A -16 14.817 -20.784 -0.730 1.00 14.94 C ATOM 38 CE1 HIS A -16 14.330 -22.845 -1.291 1.00 15.50 C ATOM 39 NE2 HIS A -16 15.149 -22.105 -0.569 1.00 15.44 N ATOM 0 H HIS A -16 10.364 -19.478 -0.954 1.00 14.40 H new ATOM 0 HA HIS A -16 13.048 -18.472 -0.277 1.00 13.97 H new ATOM 0 HB2 HIS A -16 12.233 -19.942 -2.807 1.00 14.30 H new ATOM 0 HB3 HIS A -16 13.667 -18.942 -2.695 1.00 14.30 H new ATOM 0 HD2 HIS A -16 15.306 -19.939 -0.268 1.00 14.94 H new ATOM 0 HE1 HIS A -16 14.349 -23.922 -1.363 1.00 15.50 H new ATOM 0 HE2 HIS A -16 15.907 -22.458 0.015 1.00 15.44 H new ATOM 48 N HIS A -15 12.332 -16.304 -1.284 1.00 13.18 N ATOM 49 CA HIS A -15 11.885 -15.020 -1.814 1.00 12.80 C ATOM 50 C HIS A -15 12.581 -14.710 -3.139 1.00 12.10 C ATOM 51 O HIS A -15 13.397 -13.793 -3.242 1.00 12.11 O ATOM 52 CB HIS A -15 12.094 -13.884 -0.792 1.00 13.32 C ATOM 53 CG HIS A -15 13.507 -13.706 -0.309 1.00 13.69 C ATOM 54 ND1 HIS A -15 14.308 -12.654 -0.697 1.00 14.05 N ATOM 55 CD2 HIS A -15 14.252 -14.444 0.546 1.00 13.95 C ATOM 56 CE1 HIS A -15 15.481 -12.756 -0.104 1.00 14.50 C ATOM 57 NE2 HIS A -15 15.472 -13.833 0.655 1.00 14.45 N ATOM 0 H HIS A -15 13.090 -16.241 -0.605 1.00 13.18 H new ATOM 0 HA HIS A -15 10.814 -15.091 -2.004 1.00 12.80 H new ATOM 0 HB2 HIS A -15 11.760 -12.948 -1.240 1.00 13.32 H new ATOM 0 HB3 HIS A -15 11.454 -14.071 0.070 1.00 13.32 H new ATOM 0 HD2 HIS A -15 13.942 -15.348 1.049 1.00 13.95 H new ATOM 0 HE1 HIS A -15 16.309 -12.073 -0.221 1.00 14.50 H new ATOM 0 HE2 HIS A -15 16.248 -14.159 1.231 1.00 14.45 H new ATOM 66 N HIS A -14 12.249 -15.494 -4.154 1.00 11.67 N ATOM 67 CA HIS A -14 12.830 -15.325 -5.478 1.00 11.15 C ATOM 68 C HIS A -14 12.083 -14.237 -6.243 1.00 10.45 C ATOM 69 O HIS A -14 12.677 -13.480 -7.010 1.00 10.24 O ATOM 70 CB HIS A -14 12.787 -16.654 -6.243 1.00 11.34 C ATOM 71 CG HIS A -14 13.456 -16.612 -7.584 1.00 11.78 C ATOM 72 ND1 HIS A -14 12.909 -17.179 -8.714 1.00 12.06 N ATOM 73 CD2 HIS A -14 14.641 -16.084 -7.972 1.00 12.20 C ATOM 74 CE1 HIS A -14 13.726 -17.004 -9.733 1.00 12.61 C ATOM 75 NE2 HIS A -14 14.785 -16.342 -9.311 1.00 12.71 N ATOM 0 H HIS A -14 11.576 -16.258 -4.085 1.00 11.67 H new ATOM 0 HA HIS A -14 13.871 -15.019 -5.375 1.00 11.15 H new ATOM 0 HB2 HIS A -14 13.262 -17.425 -5.636 1.00 11.34 H new ATOM 0 HB3 HIS A -14 11.747 -16.950 -6.377 1.00 11.34 H new ATOM 0 HD2 HIS A -14 15.343 -15.557 -7.343 1.00 12.20 H new ATOM 0 HE1 HIS A -14 13.557 -17.345 -10.744 1.00 12.61 H new ATOM 0 HE2 HIS A -14 15.581 -16.067 -9.886 1.00 12.71 H new ATOM 84 N HIS A -13 10.781 -14.161 -6.017 1.00 10.29 N ATOM 85 CA HIS A -13 9.952 -13.141 -6.637 1.00 9.83 C ATOM 86 C HIS A -13 8.999 -12.550 -5.607 1.00 9.17 C ATOM 87 O HIS A -13 8.532 -13.254 -4.711 1.00 9.24 O ATOM 88 CB HIS A -13 9.171 -13.710 -7.837 1.00 10.33 C ATOM 89 CG HIS A -13 8.268 -14.870 -7.517 1.00 10.72 C ATOM 90 ND1 HIS A -13 8.515 -16.157 -7.944 1.00 11.23 N ATOM 91 CD2 HIS A -13 7.103 -14.927 -6.826 1.00 10.91 C ATOM 92 CE1 HIS A -13 7.543 -16.948 -7.532 1.00 11.69 C ATOM 93 NE2 HIS A -13 6.675 -16.228 -6.849 1.00 11.52 N ATOM 0 H HIS A -13 10.273 -14.799 -5.404 1.00 10.29 H new ATOM 0 HA HIS A -13 10.603 -12.351 -7.012 1.00 9.83 H new ATOM 0 HB2 HIS A -13 8.571 -12.911 -8.272 1.00 10.33 H new ATOM 0 HB3 HIS A -13 9.884 -14.024 -8.599 1.00 10.33 H new ATOM 0 HD2 HIS A -13 6.604 -14.099 -6.345 1.00 10.91 H new ATOM 0 HE1 HIS A -13 7.470 -18.009 -7.722 1.00 11.69 H new ATOM 0 HE2 HIS A -13 5.825 -16.582 -6.410 1.00 11.52 H new ATOM 102 N HIS A -12 8.720 -11.264 -5.724 1.00 8.78 N ATOM 103 CA HIS A -12 7.827 -10.596 -4.787 1.00 8.39 C ATOM 104 C HIS A -12 7.237 -9.339 -5.418 1.00 7.80 C ATOM 105 O HIS A -12 6.177 -8.866 -5.003 1.00 7.91 O ATOM 106 CB HIS A -12 8.581 -10.242 -3.500 1.00 8.72 C ATOM 107 CG HIS A -12 7.692 -9.974 -2.326 1.00 8.98 C ATOM 108 ND1 HIS A -12 7.515 -8.720 -1.781 1.00 9.31 N ATOM 109 CD2 HIS A -12 6.939 -10.816 -1.578 1.00 9.28 C ATOM 110 CE1 HIS A -12 6.696 -8.802 -0.749 1.00 9.77 C ATOM 111 NE2 HIS A -12 6.331 -10.063 -0.606 1.00 9.76 N ATOM 0 H HIS A -12 9.096 -10.661 -6.455 1.00 8.78 H new ATOM 0 HA HIS A -12 7.010 -11.274 -4.540 1.00 8.39 H new ATOM 0 HB2 HIS A -12 9.257 -11.060 -3.251 1.00 8.72 H new ATOM 0 HB3 HIS A -12 9.198 -9.362 -3.683 1.00 8.72 H new ATOM 0 HD1 HIS A -12 7.949 -7.862 -2.122 1.00 9.31 H new ATOM 0 HD2 HIS A -12 6.837 -11.882 -1.721 1.00 9.28 H new ATOM 0 HE1 HIS A -12 6.378 -7.978 -0.127 1.00 9.77 H new ATOM 120 N HIS A -11 7.944 -8.812 -6.424 1.00 7.48 N ATOM 121 CA HIS A -11 7.527 -7.622 -7.175 1.00 7.19 C ATOM 122 C HIS A -11 7.690 -6.355 -6.344 1.00 6.46 C ATOM 123 O HIS A -11 8.543 -5.517 -6.639 1.00 6.49 O ATOM 124 CB HIS A -11 6.084 -7.747 -7.692 1.00 7.84 C ATOM 125 CG HIS A -11 5.924 -8.746 -8.798 1.00 8.37 C ATOM 126 ND1 HIS A -11 5.583 -8.397 -10.085 1.00 8.98 N ATOM 127 CD2 HIS A -11 6.060 -10.092 -8.801 1.00 8.69 C ATOM 128 CE1 HIS A -11 5.515 -9.484 -10.831 1.00 9.59 C ATOM 129 NE2 HIS A -11 5.801 -10.528 -10.076 1.00 9.44 N ATOM 0 H HIS A -11 8.830 -9.203 -6.743 1.00 7.48 H new ATOM 0 HA HIS A -11 8.185 -7.549 -8.041 1.00 7.19 H new ATOM 0 HB2 HIS A -11 5.434 -8.028 -6.864 1.00 7.84 H new ATOM 0 HB3 HIS A -11 5.748 -6.772 -8.044 1.00 7.84 H new ATOM 0 HD2 HIS A -11 6.324 -10.710 -7.955 1.00 8.69 H new ATOM 0 HE1 HIS A -11 5.267 -9.514 -11.882 1.00 9.59 H new ATOM 0 HE2 HIS A -11 5.825 -11.499 -10.389 1.00 9.44 H new ATOM 138 N SER A -10 6.881 -6.218 -5.310 1.00 6.16 N ATOM 139 CA SER A -10 6.953 -5.064 -4.433 1.00 5.80 C ATOM 140 C SER A -10 8.077 -5.251 -3.416 1.00 5.14 C ATOM 141 O SER A -10 8.040 -6.177 -2.601 1.00 5.44 O ATOM 142 CB SER A -10 5.614 -4.877 -3.724 1.00 6.45 C ATOM 143 OG SER A -10 4.540 -4.957 -4.648 1.00 7.05 O ATOM 0 H SER A -10 6.162 -6.896 -5.056 1.00 6.16 H new ATOM 0 HA SER A -10 7.167 -4.173 -5.023 1.00 5.80 H new ATOM 0 HB2 SER A -10 5.495 -5.640 -2.954 1.00 6.45 H new ATOM 0 HB3 SER A -10 5.596 -3.910 -3.221 1.00 6.45 H new ATOM 0 HG SER A -10 3.691 -4.836 -4.174 1.00 7.05 H new ATOM 149 N SER A -9 9.079 -4.389 -3.480 1.00 4.65 N ATOM 150 CA SER A -9 10.225 -4.488 -2.594 1.00 4.40 C ATOM 151 C SER A -9 10.265 -3.303 -1.632 1.00 3.47 C ATOM 152 O SER A -9 10.383 -3.478 -0.417 1.00 3.79 O ATOM 153 CB SER A -9 11.518 -4.557 -3.415 1.00 5.30 C ATOM 154 OG SER A -9 12.642 -4.818 -2.590 1.00 6.01 O ATOM 0 H SER A -9 9.121 -3.611 -4.139 1.00 4.65 H new ATOM 0 HA SER A -9 10.133 -5.401 -2.005 1.00 4.40 H new ATOM 0 HB2 SER A -9 11.430 -5.338 -4.170 1.00 5.30 H new ATOM 0 HB3 SER A -9 11.665 -3.616 -3.945 1.00 5.30 H new ATOM 0 HG SER A -9 13.451 -4.858 -3.142 1.00 6.01 H new ATOM 160 N GLY A -8 10.153 -2.099 -2.177 1.00 2.88 N ATOM 161 CA GLY A -8 10.177 -0.907 -1.356 1.00 2.53 C ATOM 162 C GLY A -8 8.828 -0.618 -0.735 1.00 2.03 C ATOM 163 O GLY A -8 8.086 0.239 -1.212 1.00 2.46 O ATOM 0 H GLY A -8 10.046 -1.927 -3.177 1.00 2.88 H new ATOM 0 HA2 GLY A -8 10.921 -1.025 -0.568 1.00 2.53 H new ATOM 0 HA3 GLY A -8 10.487 -0.056 -1.962 1.00 2.53 H new ATOM 167 N LEU A -7 8.501 -1.349 0.316 1.00 1.44 N ATOM 168 CA LEU A -7 7.237 -1.167 1.008 1.00 1.02 C ATOM 169 C LEU A -7 7.397 -0.188 2.164 1.00 1.01 C ATOM 170 O LEU A -7 7.474 -0.591 3.326 1.00 1.40 O ATOM 171 CB LEU A -7 6.713 -2.514 1.524 1.00 0.97 C ATOM 172 CG LEU A -7 6.454 -3.573 0.448 1.00 1.54 C ATOM 173 CD1 LEU A -7 6.095 -4.904 1.089 1.00 2.25 C ATOM 174 CD2 LEU A -7 5.346 -3.125 -0.490 1.00 2.06 C ATOM 0 H LEU A -7 9.096 -2.077 0.710 1.00 1.44 H new ATOM 0 HA LEU A -7 6.514 -0.756 0.303 1.00 1.02 H new ATOM 0 HB2 LEU A -7 7.432 -2.915 2.239 1.00 0.97 H new ATOM 0 HB3 LEU A -7 5.785 -2.339 2.069 1.00 0.97 H new ATOM 0 HG LEU A -7 7.367 -3.700 -0.133 1.00 1.54 H new ATOM 0 HD11 LEU A -7 5.914 -5.646 0.311 1.00 2.25 H new ATOM 0 HD12 LEU A -7 6.917 -5.236 1.723 1.00 2.25 H new ATOM 0 HD13 LEU A -7 5.196 -4.786 1.694 1.00 2.25 H new ATOM 0 HD21 LEU A -7 5.178 -3.891 -1.247 1.00 2.06 H new ATOM 0 HD22 LEU A -7 4.429 -2.969 0.078 1.00 2.06 H new ATOM 0 HD23 LEU A -7 5.635 -2.193 -0.976 1.00 2.06 H new ATOM 186 N GLU A -6 7.455 1.100 1.839 1.00 1.01 N ATOM 187 CA GLU A -6 7.581 2.140 2.852 1.00 1.15 C ATOM 188 C GLU A -6 7.105 3.489 2.317 1.00 1.03 C ATOM 189 O GLU A -6 7.294 3.798 1.141 1.00 1.77 O ATOM 190 CB GLU A -6 9.034 2.246 3.329 1.00 1.65 C ATOM 191 CG GLU A -6 10.034 2.479 2.210 1.00 2.27 C ATOM 192 CD GLU A -6 11.456 2.565 2.716 1.00 2.92 C ATOM 193 OE1 GLU A -6 11.927 3.688 2.996 1.00 3.35 O ATOM 194 OE2 GLU A -6 12.115 1.512 2.832 1.00 3.44 O ATOM 0 H GLU A -6 7.417 1.448 0.881 1.00 1.01 H new ATOM 0 HA GLU A -6 6.949 1.865 3.696 1.00 1.15 H new ATOM 0 HB2 GLU A -6 9.111 3.062 4.048 1.00 1.65 H new ATOM 0 HB3 GLU A -6 9.301 1.330 3.856 1.00 1.65 H new ATOM 0 HG2 GLU A -6 9.958 1.669 1.484 1.00 2.27 H new ATOM 0 HG3 GLU A -6 9.781 3.401 1.687 1.00 2.27 H new ATOM 201 N VAL A -5 6.458 4.269 3.180 1.00 0.68 N ATOM 202 CA VAL A -5 6.071 5.637 2.839 1.00 0.59 C ATOM 203 C VAL A -5 6.594 6.601 3.906 1.00 0.89 C ATOM 204 O VAL A -5 6.355 7.813 3.848 1.00 1.67 O ATOM 205 CB VAL A -5 4.536 5.801 2.693 1.00 0.46 C ATOM 206 CG1 VAL A -5 3.854 5.844 4.042 1.00 0.71 C ATOM 207 CG2 VAL A -5 4.206 7.040 1.888 1.00 0.85 C ATOM 0 H VAL A -5 6.191 3.978 4.120 1.00 0.68 H new ATOM 0 HA VAL A -5 6.515 5.868 1.871 1.00 0.59 H new ATOM 0 HB VAL A -5 4.158 4.929 2.158 1.00 0.46 H new ATOM 0 HG11 VAL A -5 2.779 5.960 3.903 1.00 0.71 H new ATOM 0 HG12 VAL A -5 4.053 4.917 4.580 1.00 0.71 H new ATOM 0 HG13 VAL A -5 4.238 6.686 4.617 1.00 0.71 H new ATOM 0 HG21 VAL A -5 3.124 7.137 1.797 1.00 0.85 H new ATOM 0 HG22 VAL A -5 4.608 7.919 2.392 1.00 0.85 H new ATOM 0 HG23 VAL A -5 4.648 6.957 0.895 1.00 0.85 H new ATOM 217 N LEU A -4 7.307 6.028 4.882 1.00 0.83 N ATOM 218 CA LEU A -4 7.937 6.772 5.981 1.00 1.12 C ATOM 219 C LEU A -4 6.921 7.179 7.049 1.00 1.15 C ATOM 220 O LEU A -4 6.982 6.697 8.180 1.00 1.67 O ATOM 221 CB LEU A -4 8.697 8.003 5.466 1.00 1.58 C ATOM 222 CG LEU A -4 9.738 7.719 4.379 1.00 2.31 C ATOM 223 CD1 LEU A -4 10.445 8.999 3.975 1.00 3.12 C ATOM 224 CD2 LEU A -4 10.743 6.682 4.852 1.00 2.85 C ATOM 0 H LEU A -4 7.465 5.022 4.932 1.00 0.83 H new ATOM 0 HA LEU A -4 8.657 6.097 6.444 1.00 1.12 H new ATOM 0 HB2 LEU A -4 7.974 8.719 5.076 1.00 1.58 H new ATOM 0 HB3 LEU A -4 9.196 8.481 6.309 1.00 1.58 H new ATOM 0 HG LEU A -4 9.221 7.318 3.507 1.00 2.31 H new ATOM 0 HD11 LEU A -4 11.181 8.779 3.202 1.00 3.12 H new ATOM 0 HD12 LEU A -4 9.716 9.711 3.590 1.00 3.12 H new ATOM 0 HD13 LEU A -4 10.947 9.427 4.843 1.00 3.12 H new ATOM 0 HD21 LEU A -4 11.472 6.496 4.064 1.00 2.85 H new ATOM 0 HD22 LEU A -4 11.255 7.051 5.741 1.00 2.85 H new ATOM 0 HD23 LEU A -4 10.223 5.754 5.091 1.00 2.85 H new ATOM 236 N PHE A -3 5.983 8.044 6.693 1.00 1.03 N ATOM 237 CA PHE A -3 5.001 8.542 7.653 1.00 1.19 C ATOM 238 C PHE A -3 3.764 7.643 7.715 1.00 1.23 C ATOM 239 O PHE A -3 3.668 6.658 6.982 1.00 2.17 O ATOM 240 CB PHE A -3 4.605 9.986 7.319 1.00 1.32 C ATOM 241 CG PHE A -3 4.433 10.259 5.851 1.00 1.09 C ATOM 242 CD1 PHE A -3 5.280 11.140 5.198 1.00 1.05 C ATOM 243 CD2 PHE A -3 3.430 9.639 5.124 1.00 1.27 C ATOM 244 CE1 PHE A -3 5.130 11.396 3.850 1.00 1.10 C ATOM 245 CE2 PHE A -3 3.278 9.892 3.776 1.00 1.30 C ATOM 246 CZ PHE A -3 4.128 10.771 3.137 1.00 1.15 C ATOM 0 H PHE A -3 5.879 8.417 5.749 1.00 1.03 H new ATOM 0 HA PHE A -3 5.467 8.527 8.638 1.00 1.19 H new ATOM 0 HB2 PHE A -3 3.672 10.222 7.832 1.00 1.32 H new ATOM 0 HB3 PHE A -3 5.365 10.659 7.715 1.00 1.32 H new ATOM 0 HD1 PHE A -3 6.067 11.632 5.750 1.00 1.05 H new ATOM 0 HD2 PHE A -3 2.760 8.950 5.617 1.00 1.27 H new ATOM 0 HE1 PHE A -3 5.797 12.085 3.354 1.00 1.10 H new ATOM 0 HE2 PHE A -3 2.493 9.401 3.220 1.00 1.30 H new ATOM 0 HZ PHE A -3 4.009 10.969 2.082 1.00 1.15 H new ATOM 256 N GLN A -2 2.827 7.999 8.601 1.00 0.89 N ATOM 257 CA GLN A -2 1.606 7.222 8.825 1.00 0.86 C ATOM 258 C GLN A -2 1.956 5.828 9.360 1.00 1.00 C ATOM 259 O GLN A -2 2.280 4.922 8.592 1.00 1.69 O ATOM 260 CB GLN A -2 0.775 7.115 7.534 1.00 1.18 C ATOM 261 CG GLN A -2 -0.565 6.423 7.730 1.00 1.89 C ATOM 262 CD GLN A -2 -1.650 7.372 8.200 1.00 2.22 C ATOM 263 OE1 GLN A -2 -1.660 8.547 7.839 1.00 2.74 O ATOM 264 NE2 GLN A -2 -2.564 6.872 9.013 1.00 2.71 N ATOM 0 H GLN A -2 2.895 8.834 9.182 1.00 0.89 H new ATOM 0 HA GLN A -2 1.002 7.741 9.569 1.00 0.86 H new ATOM 0 HB2 GLN A -2 0.603 8.116 7.138 1.00 1.18 H new ATOM 0 HB3 GLN A -2 1.350 6.570 6.785 1.00 1.18 H new ATOM 0 HG2 GLN A -2 -0.872 5.963 6.791 1.00 1.89 H new ATOM 0 HG3 GLN A -2 -0.451 5.619 8.457 1.00 1.89 H new ATOM 0 HE21 GLN A -2 -2.520 5.891 9.289 1.00 2.71 H new ATOM 0 HE22 GLN A -2 -3.314 7.467 9.365 1.00 2.71 H new ATOM 273 N GLY A -1 1.885 5.668 10.680 1.00 0.85 N ATOM 274 CA GLY A -1 2.304 4.431 11.327 1.00 1.20 C ATOM 275 C GLY A -1 1.552 3.201 10.842 1.00 0.93 C ATOM 276 O GLY A -1 0.340 3.097 11.035 1.00 1.43 O ATOM 0 H GLY A -1 1.540 6.382 11.322 1.00 0.85 H new ATOM 0 HA2 GLY A -1 3.370 4.285 11.155 1.00 1.20 H new ATOM 0 HA3 GLY A -1 2.165 4.530 12.404 1.00 1.20 H new ATOM 280 N PRO A 0 2.256 2.250 10.206 1.00 0.95 N ATOM 281 CA PRO A 0 1.666 1.019 9.693 1.00 1.19 C ATOM 282 C PRO A 0 1.773 -0.148 10.678 1.00 1.08 C ATOM 283 O PRO A 0 2.761 -0.267 11.409 1.00 1.62 O ATOM 284 CB PRO A 0 2.531 0.753 8.468 1.00 1.86 C ATOM 285 CG PRO A 0 3.893 1.238 8.859 1.00 2.08 C ATOM 286 CD PRO A 0 3.697 2.308 9.910 1.00 1.60 C ATOM 0 HA PRO A 0 0.598 1.114 9.497 1.00 1.19 H new ATOM 0 HB2 PRO A 0 2.545 -0.307 8.214 1.00 1.86 H new ATOM 0 HB3 PRO A 0 2.156 1.285 7.594 1.00 1.86 H new ATOM 0 HG2 PRO A 0 4.496 0.419 9.251 1.00 2.08 H new ATOM 0 HG3 PRO A 0 4.422 1.639 7.995 1.00 2.08 H new ATOM 0 HD2 PRO A 0 4.296 2.110 10.799 1.00 1.60 H new ATOM 0 HD3 PRO A 0 3.990 3.291 9.540 1.00 1.60 H new ATOM 294 N ARG A 1 0.766 -1.014 10.678 1.00 1.01 N ATOM 295 CA ARG A 1 0.738 -2.169 11.568 1.00 1.19 C ATOM 296 C ARG A 1 -0.498 -3.023 11.304 1.00 0.86 C ATOM 297 O ARG A 1 -1.606 -2.492 11.273 1.00 1.02 O ATOM 298 CB ARG A 1 0.743 -1.710 13.031 1.00 1.95 C ATOM 299 CG ARG A 1 0.699 -2.849 14.031 1.00 2.38 C ATOM 300 CD ARG A 1 0.646 -2.336 15.458 1.00 3.12 C ATOM 301 NE ARG A 1 0.493 -3.421 16.424 1.00 3.69 N ATOM 302 CZ ARG A 1 0.300 -3.232 17.728 1.00 4.54 C ATOM 303 NH1 ARG A 1 0.264 -2.000 18.223 1.00 4.90 N ATOM 304 NH2 ARG A 1 0.146 -4.271 18.537 1.00 5.35 N ATOM 0 H ARG A 1 -0.047 -0.937 10.067 1.00 1.01 H new ATOM 0 HA ARG A 1 1.627 -2.769 11.375 1.00 1.19 H new ATOM 0 HB2 ARG A 1 1.638 -1.115 13.212 1.00 1.95 H new ATOM 0 HB3 ARG A 1 -0.114 -1.057 13.200 1.00 1.95 H new ATOM 0 HG2 ARG A 1 -0.173 -3.473 13.835 1.00 2.38 H new ATOM 0 HG3 ARG A 1 1.578 -3.481 13.903 1.00 2.38 H new ATOM 0 HD2 ARG A 1 1.558 -1.781 15.678 1.00 3.12 H new ATOM 0 HD3 ARG A 1 -0.185 -1.638 15.562 1.00 3.12 H new ATOM 0 HE ARG A 1 0.537 -4.380 16.079 1.00 3.69 H new ATOM 0 HH11 ARG A 1 0.384 -1.198 17.604 1.00 4.90 H new ATOM 0 HH12 ARG A 1 0.116 -1.856 19.222 1.00 4.90 H new ATOM 0 HH21 ARG A 1 0.175 -5.219 18.161 1.00 5.35 H new ATOM 0 HH22 ARG A 1 -0.002 -4.123 19.535 1.00 5.35 H new ATOM 318 N ARG A 2 -0.297 -4.333 11.107 1.00 0.78 N ATOM 319 CA ARG A 2 -1.407 -5.296 10.963 1.00 0.56 C ATOM 320 C ARG A 2 -0.887 -6.695 10.620 1.00 0.65 C ATOM 321 O ARG A 2 -1.489 -7.696 11.010 1.00 1.49 O ATOM 322 CB ARG A 2 -2.449 -4.855 9.917 1.00 0.50 C ATOM 323 CG ARG A 2 -3.799 -4.499 10.499 1.00 0.88 C ATOM 324 CD ARG A 2 -4.345 -5.602 11.386 1.00 1.32 C ATOM 325 NE ARG A 2 -5.639 -5.254 11.965 1.00 1.72 N ATOM 326 CZ ARG A 2 -6.118 -5.777 13.093 1.00 2.37 C ATOM 327 NH1 ARG A 2 -5.392 -6.641 13.791 1.00 2.94 N ATOM 328 NH2 ARG A 2 -7.317 -5.427 13.531 1.00 2.90 N ATOM 0 H ARG A 2 0.629 -4.756 11.043 1.00 0.78 H new ATOM 0 HA ARG A 2 -1.906 -5.326 11.932 1.00 0.56 H new ATOM 0 HB2 ARG A 2 -2.061 -3.993 9.375 1.00 0.50 H new ATOM 0 HB3 ARG A 2 -2.579 -5.657 9.190 1.00 0.50 H new ATOM 0 HG2 ARG A 2 -3.713 -3.579 11.077 1.00 0.88 H new ATOM 0 HG3 ARG A 2 -4.502 -4.303 9.690 1.00 0.88 H new ATOM 0 HD2 ARG A 2 -4.444 -6.518 10.804 1.00 1.32 H new ATOM 0 HD3 ARG A 2 -3.634 -5.808 12.186 1.00 1.32 H new ATOM 0 HE ARG A 2 -6.213 -4.567 11.475 1.00 1.72 H new ATOM 0 HH11 ARG A 2 -4.463 -6.907 13.465 1.00 2.94 H new ATOM 0 HH12 ARG A 2 -5.763 -7.039 14.654 1.00 2.94 H new ATOM 0 HH21 ARG A 2 -7.876 -4.756 13.005 1.00 2.90 H new ATOM 0 HH22 ARG A 2 -7.682 -5.829 14.395 1.00 2.90 H new ATOM 342 N ALA A 3 0.225 -6.745 9.883 1.00 0.64 N ATOM 343 CA ALA A 3 0.939 -8.001 9.579 1.00 0.58 C ATOM 344 C ALA A 3 0.189 -8.905 8.586 1.00 0.60 C ATOM 345 O ALA A 3 0.478 -8.887 7.389 1.00 1.09 O ATOM 346 CB ALA A 3 1.260 -8.762 10.861 1.00 0.69 C ATOM 0 H ALA A 3 0.662 -5.918 9.476 1.00 0.64 H new ATOM 0 HA ALA A 3 1.869 -7.712 9.089 1.00 0.58 H new ATOM 0 HB1 ALA A 3 1.786 -9.684 10.615 1.00 0.69 H new ATOM 0 HB2 ALA A 3 1.890 -8.145 11.502 1.00 0.69 H new ATOM 0 HB3 ALA A 3 0.334 -9.001 11.384 1.00 0.69 H new ATOM 352 N GLY A 4 -0.757 -9.694 9.084 1.00 0.44 N ATOM 353 CA GLY A 4 -1.450 -10.672 8.250 1.00 0.52 C ATOM 354 C GLY A 4 -2.891 -10.275 7.965 1.00 0.39 C ATOM 355 O GLY A 4 -3.818 -10.938 8.424 1.00 0.54 O ATOM 0 H GLY A 4 -1.061 -9.677 10.057 1.00 0.44 H new ATOM 0 HA2 GLY A 4 -0.914 -10.786 7.308 1.00 0.52 H new ATOM 0 HA3 GLY A 4 -1.435 -11.643 8.745 1.00 0.52 H new ATOM 359 N THR A 5 -3.092 -9.184 7.236 1.00 0.26 N ATOM 360 CA THR A 5 -4.432 -8.667 6.993 1.00 0.18 C ATOM 361 C THR A 5 -4.724 -8.600 5.490 1.00 0.14 C ATOM 362 O THR A 5 -3.952 -9.118 4.690 1.00 0.15 O ATOM 363 CB THR A 5 -4.543 -7.275 7.650 1.00 0.25 C ATOM 364 OG1 THR A 5 -3.873 -7.323 8.912 1.00 0.38 O ATOM 365 CG2 THR A 5 -5.991 -6.846 7.886 1.00 0.34 C ATOM 0 H THR A 5 -2.345 -8.641 6.803 1.00 0.26 H new ATOM 0 HA THR A 5 -5.174 -9.334 7.431 1.00 0.18 H new ATOM 0 HB THR A 5 -4.092 -6.550 6.973 1.00 0.25 H new ATOM 0 HG1 THR A 5 -4.266 -8.030 9.464 1.00 0.38 H new ATOM 0 HG21 THR A 5 -6.007 -5.860 8.350 1.00 0.34 H new ATOM 0 HG22 THR A 5 -6.519 -6.807 6.933 1.00 0.34 H new ATOM 0 HG23 THR A 5 -6.481 -7.564 8.543 1.00 0.34 H new ATOM 373 N CYS A 6 -5.853 -8.003 5.125 1.00 0.15 N ATOM 374 CA CYS A 6 -6.195 -7.762 3.727 1.00 0.14 C ATOM 375 C CYS A 6 -6.428 -6.281 3.471 1.00 0.13 C ATOM 376 O CYS A 6 -6.859 -5.549 4.362 1.00 0.15 O ATOM 377 CB CYS A 6 -7.435 -8.560 3.353 1.00 0.17 C ATOM 378 SG CYS A 6 -8.668 -8.668 4.674 1.00 0.86 S ATOM 0 H CYS A 6 -6.555 -7.673 5.787 1.00 0.15 H new ATOM 0 HA CYS A 6 -5.359 -8.086 3.107 1.00 0.14 H new ATOM 0 HB2 CYS A 6 -7.896 -8.106 2.476 1.00 0.17 H new ATOM 0 HB3 CYS A 6 -7.133 -9.568 3.068 1.00 0.17 H new ATOM 0 HG CYS A 6 -9.686 -9.363 4.261 1.00 0.86 H new ATOM 384 N CYS A 7 -6.143 -5.846 2.249 1.00 0.12 N ATOM 385 CA CYS A 7 -6.165 -4.428 1.933 1.00 0.11 C ATOM 386 C CYS A 7 -7.589 -3.926 1.662 1.00 0.10 C ATOM 387 O CYS A 7 -8.292 -4.480 0.815 1.00 0.10 O ATOM 388 CB CYS A 7 -5.228 -4.133 0.756 1.00 0.14 C ATOM 389 SG CYS A 7 -5.009 -2.386 0.427 1.00 0.21 S ATOM 0 H CYS A 7 -5.896 -6.453 1.467 1.00 0.12 H new ATOM 0 HA CYS A 7 -5.803 -3.881 2.804 1.00 0.11 H new ATOM 0 HB2 CYS A 7 -4.255 -4.580 0.958 1.00 0.14 H new ATOM 0 HB3 CYS A 7 -5.621 -4.615 -0.139 1.00 0.14 H new ATOM 394 N ALA A 8 -7.986 -2.864 2.396 1.00 0.13 N ATOM 395 CA ALA A 8 -9.305 -2.207 2.289 1.00 0.17 C ATOM 396 C ALA A 8 -9.577 -1.599 0.918 1.00 0.21 C ATOM 397 O ALA A 8 -10.362 -0.658 0.790 1.00 0.31 O ATOM 398 CB ALA A 8 -9.431 -1.105 3.330 1.00 0.18 C ATOM 0 H ALA A 8 -7.383 -2.430 3.095 1.00 0.13 H new ATOM 0 HA ALA A 8 -10.039 -2.996 2.455 1.00 0.17 H new ATOM 0 HB1 ALA A 8 -10.408 -0.629 3.240 1.00 0.18 H new ATOM 0 HB2 ALA A 8 -9.326 -1.533 4.327 1.00 0.18 H new ATOM 0 HB3 ALA A 8 -8.649 -0.362 3.170 1.00 0.18 H new ATOM 404 N ASN A 9 -8.931 -2.121 -0.091 1.00 0.18 N ATOM 405 CA ASN A 9 -9.050 -1.583 -1.426 1.00 0.23 C ATOM 406 C ASN A 9 -8.705 -2.632 -2.468 1.00 0.24 C ATOM 407 O ASN A 9 -9.452 -2.830 -3.424 1.00 0.32 O ATOM 408 CB ASN A 9 -8.142 -0.367 -1.598 1.00 0.26 C ATOM 409 CG ASN A 9 -8.231 0.212 -2.996 1.00 0.38 C ATOM 410 OD1 ASN A 9 -9.317 0.390 -3.542 1.00 0.53 O ATOM 411 ND2 ASN A 9 -7.085 0.458 -3.605 1.00 0.57 N ATOM 0 H ASN A 9 -8.310 -2.927 -0.015 1.00 0.18 H new ATOM 0 HA ASN A 9 -10.086 -1.277 -1.570 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -8.417 0.397 -0.871 1.00 0.26 H new ATOM 0 HB3 ASN A 9 -7.111 -0.651 -1.388 1.00 0.26 H new ATOM 0 HD21 ASN A 9 -7.081 0.809 -4.563 1.00 0.57 H new ATOM 0 HD22 ASN A 9 -6.204 0.297 -3.117 1.00 0.57 H new ATOM 418 N CYS A 10 -7.581 -3.323 -2.291 1.00 0.21 N ATOM 419 CA CYS A 10 -7.127 -4.223 -3.338 1.00 0.28 C ATOM 420 C CYS A 10 -7.017 -5.676 -2.838 1.00 0.22 C ATOM 421 O CYS A 10 -6.581 -6.560 -3.570 1.00 0.31 O ATOM 422 CB CYS A 10 -5.806 -3.696 -3.925 1.00 0.52 C ATOM 423 SG CYS A 10 -4.353 -3.953 -2.892 1.00 0.76 S ATOM 0 H CYS A 10 -6.989 -3.279 -1.462 1.00 0.21 H new ATOM 0 HA CYS A 10 -7.870 -4.245 -4.136 1.00 0.28 H new ATOM 0 HB2 CYS A 10 -5.637 -4.177 -4.888 1.00 0.52 H new ATOM 0 HB3 CYS A 10 -5.912 -2.628 -4.116 1.00 0.52 H new ATOM 428 N GLN A 11 -7.471 -5.899 -1.594 1.00 0.18 N ATOM 429 CA GLN A 11 -7.502 -7.217 -0.931 1.00 0.21 C ATOM 430 C GLN A 11 -6.248 -8.087 -1.109 1.00 0.26 C ATOM 431 O GLN A 11 -6.318 -9.305 -0.935 1.00 0.34 O ATOM 432 CB GLN A 11 -8.748 -7.978 -1.366 1.00 0.24 C ATOM 433 CG GLN A 11 -9.995 -7.554 -0.611 1.00 0.74 C ATOM 434 CD GLN A 11 -11.249 -8.216 -1.137 1.00 1.26 C ATOM 435 OE1 GLN A 11 -11.905 -7.693 -2.034 1.00 1.77 O ATOM 436 NE2 GLN A 11 -11.597 -9.365 -0.583 1.00 1.90 N ATOM 0 H GLN A 11 -7.836 -5.150 -1.005 1.00 0.18 H new ATOM 0 HA GLN A 11 -7.526 -7.000 0.137 1.00 0.21 H new ATOM 0 HB2 GLN A 11 -8.906 -7.825 -2.433 1.00 0.24 H new ATOM 0 HB3 GLN A 11 -8.585 -9.046 -1.218 1.00 0.24 H new ATOM 0 HG2 GLN A 11 -9.876 -7.798 0.445 1.00 0.74 H new ATOM 0 HG3 GLN A 11 -10.105 -6.472 -0.678 1.00 0.74 H new ATOM 0 HE21 GLN A 11 -11.025 -9.767 0.160 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -12.437 -9.850 -0.899 1.00 1.90 H new ATOM 445 N THR A 12 -5.116 -7.486 -1.446 1.00 0.25 N ATOM 446 CA THR A 12 -3.852 -8.186 -1.371 1.00 0.26 C ATOM 447 C THR A 12 -3.534 -8.510 0.079 1.00 0.21 C ATOM 448 O THR A 12 -3.970 -7.810 1.000 1.00 0.19 O ATOM 449 CB THR A 12 -2.678 -7.378 -1.975 1.00 0.28 C ATOM 450 OG1 THR A 12 -1.542 -8.236 -2.138 1.00 0.33 O ATOM 451 CG2 THR A 12 -2.288 -6.205 -1.076 1.00 0.24 C ATOM 0 H THR A 12 -5.052 -6.521 -1.771 1.00 0.25 H new ATOM 0 HA THR A 12 -3.960 -9.097 -1.960 1.00 0.26 H new ATOM 0 HB THR A 12 -3.001 -6.984 -2.939 1.00 0.28 H new ATOM 0 HG1 THR A 12 -0.731 -7.692 -2.226 1.00 0.33 H new ATOM 0 HG21 THR A 12 -1.461 -5.659 -1.529 1.00 0.24 H new ATOM 0 HG22 THR A 12 -3.142 -5.538 -0.957 1.00 0.24 H new ATOM 0 HG23 THR A 12 -1.983 -6.581 -0.099 1.00 0.24 H new ATOM 459 N THR A 13 -2.803 -9.582 0.265 1.00 0.22 N ATOM 460 CA THR A 13 -2.356 -9.995 1.581 1.00 0.23 C ATOM 461 C THR A 13 -0.857 -10.260 1.575 1.00 0.26 C ATOM 462 O THR A 13 -0.287 -10.742 2.554 1.00 0.42 O ATOM 463 CB THR A 13 -3.106 -11.252 2.046 1.00 0.28 C ATOM 464 OG1 THR A 13 -3.070 -12.247 1.014 1.00 0.33 O ATOM 465 CG2 THR A 13 -4.547 -10.915 2.388 1.00 0.28 C ATOM 0 H THR A 13 -2.499 -10.196 -0.490 1.00 0.22 H new ATOM 0 HA THR A 13 -2.571 -9.185 2.278 1.00 0.23 H new ATOM 0 HB THR A 13 -2.618 -11.640 2.940 1.00 0.28 H new ATOM 0 HG1 THR A 13 -3.548 -13.048 1.315 1.00 0.33 H new ATOM 0 HG21 THR A 13 -5.064 -11.817 2.716 1.00 0.28 H new ATOM 0 HG22 THR A 13 -4.568 -10.174 3.188 1.00 0.28 H new ATOM 0 HG23 THR A 13 -5.045 -10.511 1.507 1.00 0.28 H new ATOM 473 N THR A 14 -0.221 -9.915 0.468 1.00 0.22 N ATOM 474 CA THR A 14 1.218 -10.113 0.322 1.00 0.26 C ATOM 475 C THR A 14 1.936 -8.792 0.596 1.00 0.23 C ATOM 476 O THR A 14 2.828 -8.358 -0.135 1.00 0.36 O ATOM 477 CB THR A 14 1.619 -10.714 -1.067 1.00 0.38 C ATOM 478 OG1 THR A 14 2.991 -11.127 -1.034 1.00 1.26 O ATOM 479 CG2 THR A 14 1.429 -9.742 -2.238 1.00 1.04 C ATOM 0 H THR A 14 -0.675 -9.497 -0.344 1.00 0.22 H new ATOM 0 HA THR A 14 1.531 -10.856 1.055 1.00 0.26 H new ATOM 0 HB THR A 14 0.951 -11.558 -1.237 1.00 0.38 H new ATOM 0 HG1 THR A 14 3.557 -10.362 -0.799 1.00 1.26 H new ATOM 0 HG21 THR A 14 1.727 -10.228 -3.167 1.00 1.04 H new ATOM 0 HG22 THR A 14 0.381 -9.450 -2.302 1.00 1.04 H new ATOM 0 HG23 THR A 14 2.044 -8.856 -2.079 1.00 1.04 H new ATOM 487 N THR A 15 1.553 -8.179 1.701 1.00 0.17 N ATOM 488 CA THR A 15 2.026 -6.839 2.033 1.00 0.17 C ATOM 489 C THR A 15 2.569 -6.784 3.456 1.00 0.20 C ATOM 490 O THR A 15 2.002 -7.378 4.374 1.00 0.26 O ATOM 491 CB THR A 15 0.932 -5.757 1.862 1.00 0.20 C ATOM 492 OG1 THR A 15 0.155 -6.037 0.698 1.00 0.40 O ATOM 493 CG2 THR A 15 1.582 -4.398 1.706 1.00 0.29 C ATOM 0 H THR A 15 0.916 -8.584 2.387 1.00 0.17 H new ATOM 0 HA THR A 15 2.827 -6.621 1.326 1.00 0.17 H new ATOM 0 HB THR A 15 0.288 -5.759 2.742 1.00 0.20 H new ATOM 0 HG1 THR A 15 0.557 -5.593 -0.078 1.00 0.40 H new ATOM 0 HG21 THR A 15 0.811 -3.637 1.586 1.00 0.29 H new ATOM 0 HG22 THR A 15 2.176 -4.175 2.592 1.00 0.29 H new ATOM 0 HG23 THR A 15 2.228 -4.402 0.828 1.00 0.29 H new ATOM 501 N THR A 16 3.677 -6.082 3.623 1.00 0.25 N ATOM 502 CA THR A 16 4.314 -5.935 4.923 1.00 0.31 C ATOM 503 C THR A 16 4.034 -4.546 5.503 1.00 0.25 C ATOM 504 O THR A 16 4.528 -4.194 6.574 1.00 0.30 O ATOM 505 CB THR A 16 5.835 -6.121 4.781 1.00 0.43 C ATOM 506 OG1 THR A 16 6.101 -7.136 3.804 1.00 0.51 O ATOM 507 CG2 THR A 16 6.466 -6.526 6.105 1.00 0.54 C ATOM 0 H THR A 16 4.160 -5.599 2.865 1.00 0.25 H new ATOM 0 HA THR A 16 3.908 -6.692 5.594 1.00 0.31 H new ATOM 0 HB THR A 16 6.267 -5.171 4.468 1.00 0.43 H new ATOM 0 HG1 THR A 16 7.069 -7.255 3.711 1.00 0.51 H new ATOM 0 HG21 THR A 16 7.541 -6.650 5.973 1.00 0.54 H new ATOM 0 HG22 THR A 16 6.279 -5.752 6.849 1.00 0.54 H new ATOM 0 HG23 THR A 16 6.031 -7.467 6.443 1.00 0.54 H new ATOM 515 N LEU A 17 3.224 -3.760 4.801 1.00 0.21 N ATOM 516 CA LEU A 17 3.032 -2.354 5.177 1.00 0.21 C ATOM 517 C LEU A 17 1.555 -2.014 5.244 1.00 0.18 C ATOM 518 O LEU A 17 0.983 -1.494 4.285 1.00 0.29 O ATOM 519 CB LEU A 17 3.712 -1.426 4.166 1.00 0.35 C ATOM 520 CG LEU A 17 4.020 -0.029 4.693 1.00 0.45 C ATOM 521 CD1 LEU A 17 5.036 -0.112 5.815 1.00 0.79 C ATOM 522 CD2 LEU A 17 4.547 0.856 3.587 1.00 0.76 C ATOM 0 H LEU A 17 2.696 -4.061 3.982 1.00 0.21 H new ATOM 0 HA LEU A 17 3.481 -2.210 6.160 1.00 0.21 H new ATOM 0 HB2 LEU A 17 4.642 -1.889 3.836 1.00 0.35 H new ATOM 0 HB3 LEU A 17 3.072 -1.336 3.288 1.00 0.35 H new ATOM 0 HG LEU A 17 3.097 0.407 5.074 1.00 0.45 H new ATOM 0 HD11 LEU A 17 5.251 0.890 6.186 1.00 0.79 H new ATOM 0 HD12 LEU A 17 4.634 -0.721 6.625 1.00 0.79 H new ATOM 0 HD13 LEU A 17 5.954 -0.565 5.442 1.00 0.79 H new ATOM 0 HD21 LEU A 17 4.760 1.848 3.985 1.00 0.76 H new ATOM 0 HD22 LEU A 17 5.461 0.424 3.180 1.00 0.76 H new ATOM 0 HD23 LEU A 17 3.800 0.935 2.797 1.00 0.76 H new ATOM 534 N TRP A 18 0.944 -2.311 6.371 1.00 0.13 N ATOM 535 CA TRP A 18 -0.464 -2.059 6.546 1.00 0.11 C ATOM 536 C TRP A 18 -0.713 -0.693 7.184 1.00 0.12 C ATOM 537 O TRP A 18 -0.687 -0.532 8.404 1.00 0.18 O ATOM 538 CB TRP A 18 -1.095 -3.181 7.360 1.00 0.11 C ATOM 539 CG TRP A 18 -0.944 -4.514 6.700 1.00 0.10 C ATOM 540 CD1 TRP A 18 -0.008 -5.460 6.974 1.00 0.12 C ATOM 541 CD2 TRP A 18 -1.752 -5.049 5.638 1.00 0.08 C ATOM 542 NE1 TRP A 18 -0.188 -6.536 6.165 1.00 0.12 N ATOM 543 CE2 TRP A 18 -1.245 -6.316 5.339 1.00 0.09 C ATOM 544 CE3 TRP A 18 -2.852 -4.584 4.915 1.00 0.09 C ATOM 545 CZ2 TRP A 18 -1.792 -7.130 4.358 1.00 0.09 C ATOM 546 CZ3 TRP A 18 -3.404 -5.388 3.940 1.00 0.09 C ATOM 547 CH2 TRP A 18 -2.881 -6.647 3.668 1.00 0.08 C ATOM 0 H TRP A 18 1.405 -2.728 7.180 1.00 0.13 H new ATOM 0 HA TRP A 18 -0.937 -2.038 5.564 1.00 0.11 H new ATOM 0 HB2 TRP A 18 -0.636 -3.213 8.348 1.00 0.11 H new ATOM 0 HB3 TRP A 18 -2.154 -2.969 7.508 1.00 0.11 H new ATOM 0 HD1 TRP A 18 0.764 -5.370 7.724 1.00 0.12 H new ATOM 0 HE1 TRP A 18 0.383 -7.381 6.176 1.00 0.12 H new ATOM 0 HE3 TRP A 18 -3.265 -3.607 5.117 1.00 0.09 H new ATOM 0 HZ2 TRP A 18 -1.380 -8.105 4.144 1.00 0.09 H new ATOM 0 HZ3 TRP A 18 -4.256 -5.034 3.379 1.00 0.09 H new ATOM 0 HH2 TRP A 18 -3.337 -7.257 2.902 1.00 0.08 H new ATOM 558 N ARG A 19 -0.966 0.276 6.322 1.00 0.12 N ATOM 559 CA ARG A 19 -1.331 1.642 6.722 1.00 0.13 C ATOM 560 C ARG A 19 -2.846 1.730 6.907 1.00 0.13 C ATOM 561 O ARG A 19 -3.559 0.775 6.612 1.00 0.15 O ATOM 562 CB ARG A 19 -0.862 2.625 5.631 1.00 0.19 C ATOM 563 CG ARG A 19 -0.181 1.940 4.448 1.00 0.28 C ATOM 564 CD ARG A 19 0.950 2.775 3.853 1.00 0.29 C ATOM 565 NE ARG A 19 2.170 2.680 4.655 1.00 0.61 N ATOM 566 CZ ARG A 19 2.479 3.488 5.667 1.00 1.00 C ATOM 567 NH1 ARG A 19 1.663 4.464 6.014 1.00 2.03 N ATOM 568 NH2 ARG A 19 3.619 3.328 6.325 1.00 1.09 N ATOM 0 H ARG A 19 -0.926 0.145 5.311 1.00 0.12 H new ATOM 0 HA ARG A 19 -0.850 1.899 7.665 1.00 0.13 H new ATOM 0 HB2 ARG A 19 -1.721 3.190 5.269 1.00 0.19 H new ATOM 0 HB3 ARG A 19 -0.171 3.343 6.072 1.00 0.19 H new ATOM 0 HG2 ARG A 19 0.215 0.977 4.770 1.00 0.28 H new ATOM 0 HG3 ARG A 19 -0.922 1.737 3.675 1.00 0.28 H new ATOM 0 HD2 ARG A 19 1.155 2.439 2.837 1.00 0.29 H new ATOM 0 HD3 ARG A 19 0.638 3.817 3.787 1.00 0.29 H new ATOM 0 HE ARG A 19 2.832 1.940 4.422 1.00 0.61 H new ATOM 0 HH11 ARG A 19 0.789 4.603 5.506 1.00 2.03 H new ATOM 0 HH12 ARG A 19 1.905 5.080 6.790 1.00 2.03 H new ATOM 0 HH21 ARG A 19 4.263 2.584 6.056 1.00 1.09 H new ATOM 0 HH22 ARG A 19 3.852 3.949 7.100 1.00 1.09 H new ATOM 582 N ARG A 20 -3.336 2.848 7.436 1.00 0.15 N ATOM 583 CA ARG A 20 -4.766 3.070 7.541 1.00 0.17 C ATOM 584 C ARG A 20 -5.255 4.036 6.476 1.00 0.19 C ATOM 585 O ARG A 20 -4.538 4.957 6.078 1.00 0.25 O ATOM 586 CB ARG A 20 -5.135 3.639 8.907 1.00 0.28 C ATOM 587 CG ARG A 20 -5.071 2.650 10.049 1.00 1.13 C ATOM 588 CD ARG A 20 -5.286 1.213 9.601 1.00 1.98 C ATOM 589 NE ARG A 20 -5.368 0.305 10.741 1.00 2.63 N ATOM 590 CZ ARG A 20 -4.469 -0.637 11.017 1.00 3.24 C ATOM 591 NH1 ARG A 20 -3.409 -0.803 10.234 1.00 3.59 N ATOM 592 NH2 ARG A 20 -4.629 -1.415 12.081 1.00 3.90 N ATOM 0 H ARG A 20 -2.761 3.610 7.796 1.00 0.15 H new ATOM 0 HA ARG A 20 -5.244 2.100 7.403 1.00 0.17 H new ATOM 0 HB2 ARG A 20 -4.468 4.472 9.129 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -6.145 4.045 8.854 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -4.101 2.731 10.539 1.00 1.13 H new ATOM 0 HG3 ARG A 20 -5.826 2.911 10.791 1.00 1.13 H new ATOM 0 HD2 ARG A 20 -6.202 1.147 9.015 1.00 1.98 H new ATOM 0 HD3 ARG A 20 -4.468 0.907 8.949 1.00 1.98 H new ATOM 0 HE ARG A 20 -6.167 0.399 11.368 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -3.281 -0.207 9.416 1.00 3.59 H new ATOM 0 HH12 ARG A 20 -2.723 -1.526 10.450 1.00 3.59 H new ATOM 0 HH21 ARG A 20 -5.440 -1.291 12.686 1.00 3.90 H new ATOM 0 HH22 ARG A 20 -3.940 -2.137 12.293 1.00 3.90 H new ATOM 606 N ASN A 21 -6.481 3.821 6.027 1.00 0.18 N ATOM 607 CA ASN A 21 -7.142 4.774 5.139 1.00 0.18 C ATOM 608 C ASN A 21 -8.000 5.731 5.984 1.00 0.17 C ATOM 609 O ASN A 21 -7.911 5.672 7.211 1.00 0.17 O ATOM 610 CB ASN A 21 -8.006 4.075 4.065 1.00 0.19 C ATOM 611 CG ASN A 21 -9.287 3.436 4.601 1.00 0.17 C ATOM 612 OD1 ASN A 21 -9.677 3.627 5.752 1.00 0.18 O ATOM 613 ND2 ASN A 21 -9.970 2.680 3.756 1.00 0.20 N ATOM 0 H ASN A 21 -7.040 3.000 6.259 1.00 0.18 H new ATOM 0 HA ASN A 21 -6.374 5.332 4.604 1.00 0.18 H new ATOM 0 HB2 ASN A 21 -8.271 4.804 3.299 1.00 0.19 H new ATOM 0 HB3 ASN A 21 -7.407 3.305 3.579 1.00 0.19 H new ATOM 0 HD21 ASN A 21 -10.841 2.240 4.054 1.00 0.20 H new ATOM 0 HD22 ASN A 21 -9.626 2.537 2.807 1.00 0.20 H new ATOM 620 N ALA A 22 -8.874 6.545 5.364 1.00 0.19 N ATOM 621 CA ALA A 22 -9.646 7.564 6.096 1.00 0.24 C ATOM 622 C ALA A 22 -10.497 6.985 7.230 1.00 0.26 C ATOM 623 O ALA A 22 -10.835 7.690 8.181 1.00 0.36 O ATOM 624 CB ALA A 22 -10.550 8.317 5.142 1.00 0.29 C ATOM 0 H ALA A 22 -9.062 6.517 4.362 1.00 0.19 H new ATOM 0 HA ALA A 22 -8.912 8.232 6.547 1.00 0.24 H new ATOM 0 HB1 ALA A 22 -11.116 9.068 5.693 1.00 0.29 H new ATOM 0 HB2 ALA A 22 -9.946 8.807 4.378 1.00 0.29 H new ATOM 0 HB3 ALA A 22 -11.240 7.619 4.667 1.00 0.29 H new ATOM 630 N ASN A 23 -10.819 5.708 7.147 1.00 0.25 N ATOM 631 CA ASN A 23 -11.702 5.078 8.106 1.00 0.33 C ATOM 632 C ASN A 23 -10.860 4.511 9.219 1.00 0.24 C ATOM 633 O ASN A 23 -11.353 4.099 10.270 1.00 0.35 O ATOM 634 CB ASN A 23 -12.486 3.956 7.430 1.00 0.51 C ATOM 635 CG ASN A 23 -13.486 3.285 8.352 1.00 0.85 C ATOM 636 OD1 ASN A 23 -14.107 3.939 9.189 1.00 1.16 O ATOM 637 ND2 ASN A 23 -13.633 1.973 8.229 1.00 1.61 N ATOM 0 H ASN A 23 -10.478 5.083 6.417 1.00 0.25 H new ATOM 0 HA ASN A 23 -12.409 5.808 8.501 1.00 0.33 H new ATOM 0 HB2 ASN A 23 -13.013 4.360 6.566 1.00 0.51 H new ATOM 0 HB3 ASN A 23 -11.787 3.208 7.056 1.00 0.51 H new ATOM 0 HD21 ASN A 23 -14.278 1.473 8.840 1.00 1.61 H new ATOM 0 HD22 ASN A 23 -13.101 1.464 7.523 1.00 1.61 H new ATOM 644 N GLY A 24 -9.565 4.522 8.977 1.00 0.17 N ATOM 645 CA GLY A 24 -8.661 3.810 9.818 1.00 0.20 C ATOM 646 C GLY A 24 -8.601 2.372 9.383 1.00 0.18 C ATOM 647 O GLY A 24 -8.288 1.484 10.171 1.00 0.22 O ATOM 0 H GLY A 24 -9.127 5.020 8.202 1.00 0.17 H new ATOM 0 HA2 GLY A 24 -7.669 4.259 9.766 1.00 0.20 H new ATOM 0 HA3 GLY A 24 -8.986 3.874 10.856 1.00 0.20 H new ATOM 651 N ASP A 25 -8.917 2.146 8.110 1.00 0.15 N ATOM 652 CA ASP A 25 -9.006 0.790 7.591 1.00 0.16 C ATOM 653 C ASP A 25 -7.666 0.378 7.017 1.00 0.16 C ATOM 654 O ASP A 25 -6.961 1.179 6.412 1.00 0.26 O ATOM 655 CB ASP A 25 -10.088 0.638 6.516 1.00 0.20 C ATOM 656 CG ASP A 25 -10.982 -0.573 6.727 1.00 0.63 C ATOM 657 OD1 ASP A 25 -10.630 -1.656 6.218 1.00 1.27 O ATOM 658 OD2 ASP A 25 -12.016 -0.461 7.419 1.00 0.71 O ATOM 0 H ASP A 25 -9.113 2.878 7.428 1.00 0.15 H new ATOM 0 HA ASP A 25 -9.282 0.144 8.424 1.00 0.16 H new ATOM 0 HB2 ASP A 25 -10.704 1.537 6.501 1.00 0.20 H new ATOM 0 HB3 ASP A 25 -9.611 0.562 5.539 1.00 0.20 H new ATOM 663 N PRO A 26 -7.317 -0.877 7.230 1.00 0.11 N ATOM 664 CA PRO A 26 -6.044 -1.454 6.801 1.00 0.10 C ATOM 665 C PRO A 26 -5.852 -1.419 5.283 1.00 0.08 C ATOM 666 O PRO A 26 -6.719 -1.852 4.529 1.00 0.11 O ATOM 667 CB PRO A 26 -6.112 -2.913 7.293 1.00 0.14 C ATOM 668 CG PRO A 26 -7.546 -3.165 7.628 1.00 0.21 C ATOM 669 CD PRO A 26 -8.159 -1.824 7.944 1.00 0.21 C ATOM 0 HA PRO A 26 -5.203 -0.890 7.205 1.00 0.10 H new ATOM 0 HB2 PRO A 26 -5.764 -3.602 6.523 1.00 0.14 H new ATOM 0 HB3 PRO A 26 -5.475 -3.061 8.165 1.00 0.14 H new ATOM 0 HG2 PRO A 26 -8.061 -3.639 6.792 1.00 0.21 H new ATOM 0 HG3 PRO A 26 -7.632 -3.840 8.479 1.00 0.21 H new ATOM 0 HD2 PRO A 26 -9.195 -1.769 7.609 1.00 0.21 H new ATOM 0 HD3 PRO A 26 -8.160 -1.628 9.016 1.00 0.21 H new ATOM 677 N VAL A 27 -4.696 -0.936 4.845 1.00 0.07 N ATOM 678 CA VAL A 27 -4.378 -0.877 3.409 1.00 0.08 C ATOM 679 C VAL A 27 -2.913 -1.234 3.197 1.00 0.10 C ATOM 680 O VAL A 27 -2.071 -0.988 4.059 1.00 0.11 O ATOM 681 CB VAL A 27 -4.654 0.496 2.702 1.00 0.10 C ATOM 682 CG1 VAL A 27 -6.094 0.631 2.238 1.00 0.12 C ATOM 683 CG2 VAL A 27 -4.319 1.693 3.566 1.00 0.12 C ATOM 0 H VAL A 27 -3.960 -0.579 5.455 1.00 0.07 H new ATOM 0 HA VAL A 27 -5.058 -1.594 2.949 1.00 0.08 H new ATOM 0 HB VAL A 27 -3.989 0.491 1.838 1.00 0.10 H new ATOM 0 HG11 VAL A 27 -6.232 1.599 1.756 1.00 0.12 H new ATOM 0 HG12 VAL A 27 -6.324 -0.164 1.529 1.00 0.12 H new ATOM 0 HG13 VAL A 27 -6.761 0.555 3.096 1.00 0.12 H new ATOM 0 HG21 VAL A 27 -4.533 2.610 3.017 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -4.920 1.666 4.475 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -3.262 1.667 3.830 1.00 0.12 H new ATOM 693 N CYS A 28 -2.627 -1.817 2.046 1.00 0.12 N ATOM 694 CA CYS A 28 -1.283 -2.213 1.677 1.00 0.15 C ATOM 695 C CYS A 28 -0.457 -0.941 1.382 1.00 0.13 C ATOM 696 O CYS A 28 -1.040 0.148 1.315 1.00 0.15 O ATOM 697 CB CYS A 28 -1.431 -3.111 0.446 1.00 0.19 C ATOM 698 SG CYS A 28 -1.628 -2.197 -1.085 1.00 0.22 S ATOM 0 H CYS A 28 -3.328 -2.030 1.337 1.00 0.12 H new ATOM 0 HA CYS A 28 -0.762 -2.756 2.465 1.00 0.15 H new ATOM 0 HB2 CYS A 28 -0.554 -3.753 0.367 1.00 0.19 H new ATOM 0 HB3 CYS A 28 -2.293 -3.764 0.584 1.00 0.19 H new ATOM 703 N ASN A 29 0.872 -1.057 1.196 1.00 0.13 N ATOM 704 CA ASN A 29 1.730 0.115 1.017 1.00 0.17 C ATOM 705 C ASN A 29 1.180 1.072 -0.030 1.00 0.15 C ATOM 706 O ASN A 29 0.978 2.227 0.283 1.00 0.16 O ATOM 707 CB ASN A 29 3.189 -0.325 0.697 1.00 0.27 C ATOM 708 CG ASN A 29 4.052 0.701 -0.049 1.00 0.70 C ATOM 709 OD1 ASN A 29 4.964 0.318 -0.777 1.00 1.52 O ATOM 710 ND2 ASN A 29 3.795 1.998 0.113 1.00 0.40 N ATOM 0 H ASN A 29 1.366 -1.949 1.167 1.00 0.13 H new ATOM 0 HA ASN A 29 1.743 0.668 1.956 1.00 0.17 H new ATOM 0 HB2 ASN A 29 3.686 -0.575 1.634 1.00 0.27 H new ATOM 0 HB3 ASN A 29 3.150 -1.238 0.103 1.00 0.27 H new ATOM 0 HD21 ASN A 29 4.360 2.694 -0.372 1.00 0.40 H new ATOM 0 HD22 ASN A 29 3.033 2.295 0.722 1.00 0.40 H new ATOM 717 N ALA A 30 0.928 0.608 -1.240 1.00 0.17 N ATOM 718 CA ALA A 30 0.471 1.507 -2.308 1.00 0.18 C ATOM 719 C ALA A 30 -0.799 2.273 -1.934 1.00 0.20 C ATOM 720 O ALA A 30 -0.840 3.493 -2.028 1.00 0.19 O ATOM 721 CB ALA A 30 0.243 0.775 -3.610 1.00 0.21 C ATOM 0 H ALA A 30 1.027 -0.369 -1.515 1.00 0.17 H new ATOM 0 HA ALA A 30 1.280 2.226 -2.441 1.00 0.18 H new ATOM 0 HB1 ALA A 30 -0.094 1.480 -4.370 1.00 0.21 H new ATOM 0 HB2 ALA A 30 1.174 0.310 -3.934 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -0.516 0.006 -3.467 1.00 0.21 H new ATOM 727 N CYS A 31 -1.829 1.556 -1.501 1.00 0.26 N ATOM 728 CA CYS A 31 -3.127 2.167 -1.226 1.00 0.30 C ATOM 729 C CYS A 31 -3.050 3.159 -0.060 1.00 0.32 C ATOM 730 O CYS A 31 -3.735 4.178 -0.065 1.00 0.41 O ATOM 731 CB CYS A 31 -4.165 1.080 -0.982 1.00 0.34 C ATOM 732 SG CYS A 31 -4.384 -0.090 -2.364 1.00 0.39 S ATOM 0 H CYS A 31 -1.792 0.551 -1.332 1.00 0.26 H new ATOM 0 HA CYS A 31 -3.433 2.744 -2.098 1.00 0.30 H new ATOM 0 HB2 CYS A 31 -3.882 0.520 -0.091 1.00 0.34 H new ATOM 0 HB3 CYS A 31 -5.124 1.553 -0.769 1.00 0.34 H new ATOM 737 N GLY A 32 -2.203 2.868 0.922 1.00 0.28 N ATOM 738 CA GLY A 32 -1.948 3.842 1.984 1.00 0.29 C ATOM 739 C GLY A 32 -1.013 4.944 1.524 1.00 0.30 C ATOM 740 O GLY A 32 -1.294 6.117 1.735 1.00 0.46 O ATOM 0 H GLY A 32 -1.692 1.990 1.008 1.00 0.28 H new ATOM 0 HA2 GLY A 32 -2.892 4.279 2.311 1.00 0.29 H new ATOM 0 HA3 GLY A 32 -1.516 3.335 2.846 1.00 0.29 H new ATOM 744 N LEU A 33 0.077 4.564 0.861 1.00 0.19 N ATOM 745 CA LEU A 33 1.097 5.516 0.416 1.00 0.16 C ATOM 746 C LEU A 33 0.456 6.545 -0.472 1.00 0.14 C ATOM 747 O LEU A 33 0.690 7.740 -0.321 1.00 0.15 O ATOM 748 CB LEU A 33 2.219 4.801 -0.358 1.00 0.16 C ATOM 749 CG LEU A 33 3.375 5.656 -0.867 1.00 0.19 C ATOM 750 CD1 LEU A 33 4.703 4.936 -0.689 1.00 0.48 C ATOM 751 CD2 LEU A 33 3.179 5.957 -2.332 1.00 0.54 C ATOM 0 H LEU A 33 0.279 3.594 0.617 1.00 0.19 H new ATOM 0 HA LEU A 33 1.535 5.993 1.293 1.00 0.16 H new ATOM 0 HB2 LEU A 33 2.632 4.026 0.287 1.00 0.16 H new ATOM 0 HB3 LEU A 33 1.770 4.298 -1.214 1.00 0.16 H new ATOM 0 HG LEU A 33 3.391 6.581 -0.290 1.00 0.19 H new ATOM 0 HD11 LEU A 33 5.511 5.566 -1.060 1.00 0.48 H new ATOM 0 HD12 LEU A 33 4.863 4.724 0.368 1.00 0.48 H new ATOM 0 HD13 LEU A 33 4.687 4.000 -1.248 1.00 0.48 H new ATOM 0 HD21 LEU A 33 4.007 6.568 -2.692 1.00 0.54 H new ATOM 0 HD22 LEU A 33 3.146 5.024 -2.894 1.00 0.54 H new ATOM 0 HD23 LEU A 33 2.242 6.497 -2.470 1.00 0.54 H new ATOM 763 N TYR A 34 -0.398 6.080 -1.373 1.00 0.14 N ATOM 764 CA TYR A 34 -0.934 6.941 -2.370 1.00 0.16 C ATOM 765 C TYR A 34 -1.939 7.902 -1.776 1.00 0.13 C ATOM 766 O TYR A 34 -1.922 9.097 -2.076 1.00 0.15 O ATOM 767 CB TYR A 34 -1.579 6.111 -3.464 1.00 0.24 C ATOM 768 CG TYR A 34 -2.169 6.901 -4.591 1.00 0.25 C ATOM 769 CD1 TYR A 34 -3.465 7.367 -4.506 1.00 0.26 C ATOM 770 CD2 TYR A 34 -1.424 7.208 -5.713 1.00 0.30 C ATOM 771 CE1 TYR A 34 -4.013 8.122 -5.515 1.00 0.32 C ATOM 772 CE2 TYR A 34 -1.964 7.964 -6.731 1.00 0.35 C ATOM 773 CZ TYR A 34 -3.259 8.299 -6.712 1.00 0.36 C ATOM 774 OH TYR A 34 -3.798 9.168 -7.644 1.00 0.44 O ATOM 0 H TYR A 34 -0.722 5.114 -1.419 1.00 0.14 H new ATOM 0 HA TYR A 34 -0.121 7.530 -2.795 1.00 0.16 H new ATOM 0 HB2 TYR A 34 -0.832 5.429 -3.870 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -2.363 5.498 -3.020 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -4.058 7.135 -3.633 1.00 0.26 H new ATOM 0 HD2 TYR A 34 -0.408 6.852 -5.793 1.00 0.30 H new ATOM 0 HE1 TYR A 34 -4.990 8.570 -5.404 1.00 0.32 H new ATOM 0 HE2 TYR A 34 -1.338 8.288 -7.549 1.00 0.35 H new ATOM 0 HH TYR A 34 -3.206 9.220 -8.424 1.00 0.44 H new ATOM 784 N TYR A 35 -2.825 7.372 -0.949 1.00 0.14 N ATOM 785 CA TYR A 35 -3.796 8.202 -0.258 1.00 0.17 C ATOM 786 C TYR A 35 -3.091 9.244 0.592 1.00 0.16 C ATOM 787 O TYR A 35 -3.604 10.338 0.797 1.00 0.20 O ATOM 788 CB TYR A 35 -4.725 7.351 0.608 1.00 0.24 C ATOM 789 CG TYR A 35 -5.894 8.110 1.174 1.00 0.30 C ATOM 790 CD1 TYR A 35 -7.160 7.958 0.646 1.00 0.35 C ATOM 791 CD2 TYR A 35 -5.730 8.978 2.232 1.00 0.50 C ATOM 792 CE1 TYR A 35 -8.227 8.645 1.154 1.00 0.42 C ATOM 793 CE2 TYR A 35 -6.787 9.674 2.756 1.00 0.57 C ATOM 794 CZ TYR A 35 -8.049 9.501 2.215 1.00 0.45 C ATOM 795 OH TYR A 35 -9.109 10.206 2.740 1.00 0.57 O ATOM 0 H TYR A 35 -2.892 6.376 -0.741 1.00 0.14 H new ATOM 0 HA TYR A 35 -4.401 8.711 -1.008 1.00 0.17 H new ATOM 0 HB2 TYR A 35 -5.099 6.518 0.013 1.00 0.24 H new ATOM 0 HB3 TYR A 35 -4.150 6.923 1.429 1.00 0.24 H new ATOM 0 HD1 TYR A 35 -7.311 7.284 -0.184 1.00 0.35 H new ATOM 0 HD2 TYR A 35 -4.746 9.112 2.657 1.00 0.50 H new ATOM 0 HE1 TYR A 35 -9.209 8.516 0.722 1.00 0.42 H new ATOM 0 HE2 TYR A 35 -6.637 10.351 3.584 1.00 0.57 H new ATOM 0 HH TYR A 35 -8.796 10.760 3.485 1.00 0.57 H new ATOM 805 N LYS A 36 -1.895 8.929 1.048 1.00 0.15 N ATOM 806 CA LYS A 36 -1.165 9.855 1.884 1.00 0.21 C ATOM 807 C LYS A 36 -0.755 11.054 1.068 1.00 0.22 C ATOM 808 O LYS A 36 -0.743 12.192 1.540 1.00 0.32 O ATOM 809 CB LYS A 36 0.081 9.213 2.461 1.00 0.28 C ATOM 810 CG LYS A 36 -0.043 8.744 3.907 1.00 0.38 C ATOM 811 CD LYS A 36 -1.054 7.643 4.148 1.00 0.50 C ATOM 812 CE LYS A 36 -2.474 8.167 4.242 1.00 0.84 C ATOM 813 NZ LYS A 36 -2.634 9.183 5.321 1.00 1.23 N ATOM 0 H LYS A 36 -1.415 8.050 0.856 1.00 0.15 H new ATOM 0 HA LYS A 36 -1.818 10.153 2.704 1.00 0.21 H new ATOM 0 HB2 LYS A 36 0.351 8.359 1.840 1.00 0.28 H new ATOM 0 HB3 LYS A 36 0.902 9.927 2.396 1.00 0.28 H new ATOM 0 HG2 LYS A 36 0.934 8.397 4.244 1.00 0.38 H new ATOM 0 HG3 LYS A 36 -0.308 9.600 4.527 1.00 0.38 H new ATOM 0 HD2 LYS A 36 -0.992 6.914 3.340 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -0.802 7.119 5.070 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -2.760 8.607 3.287 1.00 0.84 H new ATOM 0 HE3 LYS A 36 -3.154 7.335 4.426 1.00 0.84 H new ATOM 0 HZ1 LYS A 36 -3.628 9.213 5.625 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -2.033 8.928 6.130 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -2.353 10.118 4.962 1.00 1.23 H new ATOM 827 N LEU A 37 -0.413 10.771 -0.169 1.00 0.20 N ATOM 828 CA LEU A 37 0.020 11.793 -1.084 1.00 0.24 C ATOM 829 C LEU A 37 -1.178 12.565 -1.619 1.00 0.25 C ATOM 830 O LEU A 37 -1.152 13.793 -1.714 1.00 0.31 O ATOM 831 CB LEU A 37 0.769 11.171 -2.272 1.00 0.29 C ATOM 832 CG LEU A 37 1.632 9.960 -1.944 1.00 0.49 C ATOM 833 CD1 LEU A 37 2.049 9.237 -3.212 1.00 1.19 C ATOM 834 CD2 LEU A 37 2.864 10.356 -1.153 1.00 0.67 C ATOM 0 H LEU A 37 -0.428 9.831 -0.564 1.00 0.20 H new ATOM 0 HA LEU A 37 0.685 12.466 -0.543 1.00 0.24 H new ATOM 0 HB2 LEU A 37 0.039 10.880 -3.027 1.00 0.29 H new ATOM 0 HB3 LEU A 37 1.403 11.936 -2.720 1.00 0.29 H new ATOM 0 HG LEU A 37 1.030 9.289 -1.332 1.00 0.49 H new ATOM 0 HD11 LEU A 37 2.665 8.375 -2.954 1.00 1.19 H new ATOM 0 HD12 LEU A 37 1.161 8.901 -3.748 1.00 1.19 H new ATOM 0 HD13 LEU A 37 2.621 9.915 -3.846 1.00 1.19 H new ATOM 0 HD21 LEU A 37 3.458 9.468 -0.936 1.00 0.67 H new ATOM 0 HD22 LEU A 37 3.461 11.058 -1.736 1.00 0.67 H new ATOM 0 HD23 LEU A 37 2.560 10.827 -0.218 1.00 0.67 H new ATOM 846 N HIS A 38 -2.232 11.829 -1.968 1.00 0.23 N ATOM 847 CA HIS A 38 -3.269 12.356 -2.845 1.00 0.28 C ATOM 848 C HIS A 38 -4.675 12.351 -2.237 1.00 0.30 C ATOM 849 O HIS A 38 -5.624 12.771 -2.896 1.00 0.37 O ATOM 850 CB HIS A 38 -3.247 11.570 -4.158 1.00 0.29 C ATOM 851 CG HIS A 38 -1.997 11.818 -4.958 1.00 0.35 C ATOM 852 ND1 HIS A 38 -1.556 10.997 -5.973 1.00 1.00 N ATOM 853 CD2 HIS A 38 -1.063 12.794 -4.841 1.00 1.02 C ATOM 854 CE1 HIS A 38 -0.405 11.455 -6.436 1.00 0.77 C ATOM 855 NE2 HIS A 38 -0.088 12.545 -5.768 1.00 0.69 N ATOM 0 H HIS A 38 -2.388 10.870 -1.657 1.00 0.23 H new ATOM 0 HA HIS A 38 -3.040 13.408 -3.014 1.00 0.28 H new ATOM 0 HB2 HIS A 38 -3.330 10.505 -3.941 1.00 0.29 H new ATOM 0 HB3 HIS A 38 -4.117 11.843 -4.756 1.00 0.29 H new ATOM 0 HD1 HIS A 38 -2.041 10.167 -6.314 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -1.085 13.618 -4.143 1.00 1.02 H new ATOM 0 HE1 HIS A 38 0.177 11.010 -7.229 1.00 0.77 H new ATOM 864 N ASN A 39 -4.807 11.884 -0.993 1.00 0.26 N ATOM 865 CA ASN A 39 -6.102 11.895 -0.281 1.00 0.30 C ATOM 866 C ASN A 39 -7.151 11.046 -0.988 1.00 0.32 C ATOM 867 O ASN A 39 -8.351 11.298 -0.866 1.00 0.40 O ATOM 868 CB ASN A 39 -6.607 13.322 -0.177 1.00 0.39 C ATOM 869 CG ASN A 39 -7.242 13.665 1.164 1.00 1.01 C ATOM 870 OD1 ASN A 39 -7.219 14.823 1.584 1.00 1.57 O ATOM 871 ND2 ASN A 39 -7.805 12.684 1.858 1.00 1.87 N ATOM 0 H ASN A 39 -4.037 11.492 -0.452 1.00 0.26 H new ATOM 0 HA ASN A 39 -5.938 11.471 0.710 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -5.776 14.003 -0.357 1.00 0.39 H new ATOM 0 HB3 ASN A 39 -7.338 13.495 -0.967 1.00 0.39 H new ATOM 0 HD21 ASN A 39 -8.233 12.880 2.763 1.00 1.87 H new ATOM 0 HD22 ASN A 39 -7.810 11.734 1.486 1.00 1.87 H new ATOM 878 N VAL A 40 -6.701 10.029 -1.702 1.00 0.30 N ATOM 879 CA VAL A 40 -7.597 9.158 -2.458 1.00 0.38 C ATOM 880 C VAL A 40 -6.990 7.777 -2.609 1.00 0.37 C ATOM 881 O VAL A 40 -5.785 7.606 -2.434 1.00 0.30 O ATOM 882 CB VAL A 40 -7.950 9.693 -3.868 1.00 0.45 C ATOM 883 CG1 VAL A 40 -9.102 10.673 -3.805 1.00 0.59 C ATOM 884 CG2 VAL A 40 -6.757 10.355 -4.534 1.00 0.42 C ATOM 0 H VAL A 40 -5.714 9.781 -1.777 1.00 0.30 H new ATOM 0 HA VAL A 40 -8.520 9.122 -1.880 1.00 0.38 H new ATOM 0 HB VAL A 40 -8.245 8.832 -4.467 1.00 0.45 H new ATOM 0 HG11 VAL A 40 -9.329 11.033 -4.809 1.00 0.59 H new ATOM 0 HG12 VAL A 40 -9.980 10.177 -3.390 1.00 0.59 H new ATOM 0 HG13 VAL A 40 -8.828 11.516 -3.171 1.00 0.59 H new ATOM 0 HG21 VAL A 40 -7.046 10.717 -5.521 1.00 0.42 H new ATOM 0 HG22 VAL A 40 -6.419 11.193 -3.925 1.00 0.42 H new ATOM 0 HG23 VAL A 40 -5.949 9.631 -4.635 1.00 0.42 H new ATOM 894 N ASN A 41 -7.823 6.801 -2.942 1.00 0.50 N ATOM 895 CA ASN A 41 -7.361 5.428 -3.101 1.00 0.55 C ATOM 896 C ASN A 41 -6.432 5.317 -4.295 1.00 0.44 C ATOM 897 O ASN A 41 -6.473 6.152 -5.201 1.00 0.43 O ATOM 898 CB ASN A 41 -8.527 4.452 -3.261 1.00 0.78 C ATOM 899 CG ASN A 41 -9.053 3.950 -1.931 1.00 1.16 C ATOM 900 OD1 ASN A 41 -8.607 2.925 -1.415 1.00 1.73 O ATOM 901 ND2 ASN A 41 -10.008 4.666 -1.368 1.00 1.16 N ATOM 0 H ASN A 41 -8.821 6.933 -3.107 1.00 0.50 H new ATOM 0 HA ASN A 41 -6.819 5.161 -2.194 1.00 0.55 H new ATOM 0 HB2 ASN A 41 -9.334 4.942 -3.805 1.00 0.78 H new ATOM 0 HB3 ASN A 41 -8.205 3.603 -3.864 1.00 0.78 H new ATOM 0 HD21 ASN A 41 -10.403 4.376 -0.474 1.00 1.16 H new ATOM 0 HD22 ASN A 41 -10.351 5.510 -1.827 1.00 1.16 H new ATOM 908 N ARG A 42 -5.613 4.274 -4.302 1.00 0.46 N ATOM 909 CA ARG A 42 -4.572 4.127 -5.300 1.00 0.39 C ATOM 910 C ARG A 42 -5.116 3.350 -6.492 1.00 0.45 C ATOM 911 O ARG A 42 -5.434 2.174 -6.356 1.00 0.51 O ATOM 912 CB ARG A 42 -3.369 3.406 -4.669 1.00 0.48 C ATOM 913 CG ARG A 42 -2.031 3.616 -5.374 1.00 1.13 C ATOM 914 CD ARG A 42 -1.922 2.912 -6.713 1.00 1.57 C ATOM 915 NE ARG A 42 -0.544 2.943 -7.206 1.00 2.08 N ATOM 916 CZ ARG A 42 -0.097 2.225 -8.233 1.00 2.71 C ATOM 917 NH1 ARG A 42 -0.934 1.486 -8.950 1.00 3.32 N ATOM 918 NH2 ARG A 42 1.189 2.263 -8.556 1.00 3.14 N ATOM 0 H ARG A 42 -5.653 3.515 -3.622 1.00 0.46 H new ATOM 0 HA ARG A 42 -4.245 5.105 -5.653 1.00 0.39 H new ATOM 0 HB2 ARG A 42 -3.271 3.737 -3.635 1.00 0.48 H new ATOM 0 HB3 ARG A 42 -3.582 2.337 -4.642 1.00 0.48 H new ATOM 0 HG2 ARG A 42 -1.874 4.684 -5.523 1.00 1.13 H new ATOM 0 HG3 ARG A 42 -1.230 3.264 -4.724 1.00 1.13 H new ATOM 0 HD2 ARG A 42 -2.254 1.879 -6.614 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -2.582 3.391 -7.436 1.00 1.57 H new ATOM 0 HE ARG A 42 0.118 3.556 -6.730 1.00 2.08 H new ATOM 0 HH11 ARG A 42 -1.926 1.466 -8.715 1.00 3.32 H new ATOM 0 HH12 ARG A 42 -0.585 0.938 -9.736 1.00 3.32 H new ATOM 0 HH21 ARG A 42 1.833 2.842 -8.017 1.00 3.14 H new ATOM 0 HH22 ARG A 42 1.534 1.713 -9.343 1.00 3.14 H new ATOM 932 N PRO A 43 -5.296 4.009 -7.653 1.00 0.53 N ATOM 933 CA PRO A 43 -5.669 3.322 -8.895 1.00 0.67 C ATOM 934 C PRO A 43 -4.703 2.189 -9.216 1.00 0.66 C ATOM 935 O PRO A 43 -3.503 2.403 -9.389 1.00 0.68 O ATOM 936 CB PRO A 43 -5.591 4.431 -9.943 1.00 0.80 C ATOM 937 CG PRO A 43 -5.881 5.666 -9.171 1.00 0.73 C ATOM 938 CD PRO A 43 -5.204 5.471 -7.848 1.00 0.55 C ATOM 0 HA PRO A 43 -6.651 2.852 -8.842 1.00 0.67 H new ATOM 0 HB2 PRO A 43 -4.607 4.472 -10.410 1.00 0.80 H new ATOM 0 HB3 PRO A 43 -6.317 4.279 -10.742 1.00 0.80 H new ATOM 0 HG2 PRO A 43 -5.498 6.549 -9.683 1.00 0.73 H new ATOM 0 HG3 PRO A 43 -6.954 5.810 -9.047 1.00 0.73 H new ATOM 0 HD2 PRO A 43 -4.169 5.813 -7.867 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -5.706 6.019 -7.051 1.00 0.55 H new ATOM 946 N LEU A 44 -5.237 0.988 -9.301 1.00 0.72 N ATOM 947 CA LEU A 44 -4.426 -0.208 -9.391 1.00 0.73 C ATOM 948 C LEU A 44 -4.804 -0.985 -10.642 1.00 1.12 C ATOM 949 O LEU A 44 -5.063 -0.385 -11.687 1.00 1.52 O ATOM 950 CB LEU A 44 -4.630 -1.067 -8.136 1.00 0.81 C ATOM 951 CG LEU A 44 -4.279 -0.391 -6.812 1.00 0.88 C ATOM 952 CD1 LEU A 44 -5.083 -0.995 -5.683 1.00 1.80 C ATOM 953 CD2 LEU A 44 -2.799 -0.530 -6.509 1.00 0.84 C ATOM 0 H LEU A 44 -6.242 0.814 -9.310 1.00 0.72 H new ATOM 0 HA LEU A 44 -3.373 0.066 -9.455 1.00 0.73 H new ATOM 0 HB2 LEU A 44 -5.673 -1.382 -8.098 1.00 0.81 H new ATOM 0 HB3 LEU A 44 -4.028 -1.970 -8.233 1.00 0.81 H new ATOM 0 HG LEU A 44 -4.522 0.668 -6.902 1.00 0.88 H new ATOM 0 HD11 LEU A 44 -4.822 -0.503 -4.746 1.00 1.80 H new ATOM 0 HD12 LEU A 44 -6.146 -0.859 -5.880 1.00 1.80 H new ATOM 0 HD13 LEU A 44 -4.862 -2.060 -5.608 1.00 1.80 H new ATOM 0 HD21 LEU A 44 -2.574 -0.041 -5.561 1.00 0.84 H new ATOM 0 HD22 LEU A 44 -2.539 -1.586 -6.443 1.00 0.84 H new ATOM 0 HD23 LEU A 44 -2.219 -0.063 -7.305 1.00 0.84 H new ATOM 965 N THR A 45 -4.835 -2.309 -10.528 1.00 1.43 N ATOM 966 CA THR A 45 -5.222 -3.173 -11.624 1.00 1.89 C ATOM 967 C THR A 45 -4.166 -3.165 -12.724 1.00 2.49 C ATOM 968 O THR A 45 -3.262 -3.997 -12.725 1.00 3.12 O ATOM 969 CB THR A 45 -6.599 -2.768 -12.186 1.00 2.47 C ATOM 970 OG1 THR A 45 -7.510 -2.515 -11.105 1.00 2.85 O ATOM 971 CG2 THR A 45 -7.175 -3.856 -13.066 1.00 3.21 C ATOM 0 H THR A 45 -4.592 -2.807 -9.672 1.00 1.43 H new ATOM 0 HA THR A 45 -5.300 -4.189 -11.237 1.00 1.89 H new ATOM 0 HB THR A 45 -6.463 -1.868 -12.785 1.00 2.47 H new ATOM 0 HG1 THR A 45 -8.383 -2.256 -11.467 1.00 2.85 H new ATOM 0 HG21 THR A 45 -8.146 -3.540 -13.447 1.00 3.21 H new ATOM 0 HG22 THR A 45 -6.501 -4.043 -13.902 1.00 3.21 H new ATOM 0 HG23 THR A 45 -7.293 -4.770 -12.484 1.00 3.21 H new ATOM 979 N MET A 46 -4.284 -2.208 -13.627 1.00 3.01 N ATOM 980 CA MET A 46 -3.360 -2.040 -14.748 1.00 4.06 C ATOM 981 C MET A 46 -3.229 -3.336 -15.544 1.00 4.82 C ATOM 982 O MET A 46 -2.311 -4.128 -15.320 1.00 5.29 O ATOM 983 CB MET A 46 -1.985 -1.568 -14.256 1.00 4.43 C ATOM 984 CG MET A 46 -0.998 -1.282 -15.379 1.00 5.26 C ATOM 985 SD MET A 46 -1.608 -0.057 -16.557 1.00 5.98 S ATOM 986 CE MET A 46 -1.829 1.365 -15.488 1.00 6.47 C ATOM 0 H MET A 46 -5.031 -1.514 -13.607 1.00 3.01 H new ATOM 0 HA MET A 46 -3.768 -1.274 -15.408 1.00 4.06 H new ATOM 0 HB2 MET A 46 -2.113 -0.666 -13.658 1.00 4.43 H new ATOM 0 HB3 MET A 46 -1.563 -2.329 -13.599 1.00 4.43 H new ATOM 0 HG2 MET A 46 -0.060 -0.930 -14.950 1.00 5.26 H new ATOM 0 HG3 MET A 46 -0.779 -2.209 -15.908 1.00 5.26 H new ATOM 0 HE1 MET A 46 -1.942 2.263 -16.096 1.00 6.47 H new ATOM 0 HE2 MET A 46 -2.721 1.226 -14.877 1.00 6.47 H new ATOM 0 HE3 MET A 46 -0.959 1.472 -14.840 1.00 6.47 H new ATOM 996 N LYS A 47 -4.169 -3.543 -16.464 1.00 5.35 N ATOM 997 CA LYS A 47 -4.220 -4.754 -17.279 1.00 6.39 C ATOM 998 C LYS A 47 -4.535 -5.958 -16.392 1.00 6.45 C ATOM 999 O LYS A 47 -4.031 -7.065 -16.600 1.00 7.14 O ATOM 1000 CB LYS A 47 -2.907 -4.970 -18.047 1.00 7.52 C ATOM 1001 CG LYS A 47 -3.074 -5.787 -19.315 1.00 8.31 C ATOM 1002 CD LYS A 47 -3.874 -5.025 -20.358 1.00 9.24 C ATOM 1003 CE LYS A 47 -4.173 -5.883 -21.573 1.00 10.03 C ATOM 1004 NZ LYS A 47 -4.902 -5.123 -22.622 1.00 10.60 N ATOM 0 H LYS A 47 -4.915 -2.877 -16.665 1.00 5.35 H new ATOM 0 HA LYS A 47 -5.012 -4.639 -18.019 1.00 6.39 H new ATOM 0 HB2 LYS A 47 -2.481 -4.000 -18.303 1.00 7.52 H new ATOM 0 HB3 LYS A 47 -2.191 -5.470 -17.394 1.00 7.52 H new ATOM 0 HG2 LYS A 47 -2.094 -6.041 -19.719 1.00 8.31 H new ATOM 0 HG3 LYS A 47 -3.576 -6.726 -19.082 1.00 8.31 H new ATOM 0 HD2 LYS A 47 -4.809 -4.679 -19.918 1.00 9.24 H new ATOM 0 HD3 LYS A 47 -3.319 -4.139 -20.666 1.00 9.24 H new ATOM 0 HE2 LYS A 47 -3.240 -6.267 -21.985 1.00 10.03 H new ATOM 0 HE3 LYS A 47 -4.767 -6.746 -21.271 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 -5.087 -5.744 -23.435 1.00 10.60 H new ATOM 0 HZ2 LYS A 47 -5.804 -4.778 -22.237 1.00 10.60 H new ATOM 0 HZ3 LYS A 47 -4.325 -4.314 -22.929 1.00 10.60 H new ATOM 1018 N LYS A 48 -5.399 -5.707 -15.415 1.00 6.06 N ATOM 1019 CA LYS A 48 -5.800 -6.693 -14.411 1.00 6.40 C ATOM 1020 C LYS A 48 -4.604 -7.408 -13.772 1.00 6.04 C ATOM 1021 O LYS A 48 -4.333 -8.577 -14.066 1.00 6.58 O ATOM 1022 CB LYS A 48 -6.768 -7.714 -15.015 1.00 7.59 C ATOM 1023 CG LYS A 48 -7.423 -8.602 -13.974 1.00 8.29 C ATOM 1024 CD LYS A 48 -8.400 -9.581 -14.597 1.00 9.18 C ATOM 1025 CE LYS A 48 -9.135 -10.375 -13.531 1.00 9.92 C ATOM 1026 NZ LYS A 48 -9.976 -9.501 -12.672 1.00 10.22 N ATOM 0 H LYS A 48 -5.849 -4.800 -15.294 1.00 6.06 H new ATOM 0 HA LYS A 48 -6.305 -6.143 -13.617 1.00 6.40 H new ATOM 0 HB2 LYS A 48 -7.542 -7.186 -15.572 1.00 7.59 H new ATOM 0 HB3 LYS A 48 -6.230 -8.338 -15.729 1.00 7.59 H new ATOM 0 HG2 LYS A 48 -6.654 -9.152 -13.431 1.00 8.29 H new ATOM 0 HG3 LYS A 48 -7.946 -7.982 -13.245 1.00 8.29 H new ATOM 0 HD2 LYS A 48 -9.119 -9.040 -15.212 1.00 9.18 H new ATOM 0 HD3 LYS A 48 -7.865 -10.263 -15.258 1.00 9.18 H new ATOM 0 HE2 LYS A 48 -9.762 -11.128 -14.007 1.00 9.92 H new ATOM 0 HE3 LYS A 48 -8.413 -10.907 -12.911 1.00 9.92 H new ATOM 0 HZ1 LYS A 48 -10.680 -10.080 -12.172 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -9.374 -9.013 -11.979 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -10.463 -8.798 -13.264 1.00 10.22 H new ATOM 1040 N GLU A 49 -3.886 -6.709 -12.899 1.00 5.38 N ATOM 1041 CA GLU A 49 -2.816 -7.319 -12.124 1.00 5.42 C ATOM 1042 C GLU A 49 -2.832 -6.781 -10.703 1.00 5.55 C ATOM 1043 O GLU A 49 -3.533 -7.367 -9.853 1.00 5.89 O ATOM 1044 CB GLU A 49 -1.445 -7.069 -12.755 1.00 5.41 C ATOM 1045 CG GLU A 49 -1.257 -7.726 -14.109 1.00 5.86 C ATOM 1046 CD GLU A 49 0.190 -7.750 -14.538 1.00 6.53 C ATOM 1047 OE1 GLU A 49 0.886 -8.750 -14.263 1.00 7.00 O ATOM 1048 OE2 GLU A 49 0.641 -6.769 -15.164 1.00 6.85 O ATOM 1049 OXT GLU A 49 -2.154 -5.768 -10.439 1.00 5.74 O ATOM 0 H GLU A 49 -4.028 -5.716 -12.711 1.00 5.38 H new ATOM 0 HA GLU A 49 -2.989 -8.395 -12.113 1.00 5.42 H new ATOM 0 HB2 GLU A 49 -1.296 -5.994 -12.861 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -0.673 -7.432 -12.077 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -1.640 -8.746 -14.072 1.00 5.86 H new ATOM 0 HG3 GLU A 49 -1.846 -7.192 -14.855 1.00 5.86 H new TER 1056 GLU A 49 HETATM 1057 ZN ZN A 101 -3.862 -2.158 -1.535 1.00 0.29 ZN