USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 573 hydrogens (3 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 43 LYS NZ :NH3+ -178:sc= -0.19 (180deg=-0.243) USER MOD Set 1.2: A 50 GLN : amide:sc= 0.7 K(o=0.51,f=-1.6!) USER MOD Set 2.1: A 4 THR OG1 : rot 38:sc= 1.2 USER MOD Set 2.2: A 32 THR OG1 : rot 150:sc= 1.04 USER MOD Set 3.1: A 16 GLN : amide:sc= 0.741 K(o=0.76,f=-0.3) USER MOD Set 3.2: A 24 THR OG1 : rot 170:sc= 0.0214 USER MOD Set 4.1: A 18 LYS NZ :NH3+ 148:sc= -1.67! (180deg=-4.42!) USER MOD Set 4.2: B 4 TYR OH : rot 180:sc= 0.17 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0 (180deg=-0.0106) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0.444) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 73:sc= -0.506 USER MOD Single : A 19 SER OG : rot -111:sc= 1.26 USER MOD Single : A 25 MET CE :methyl 172:sc= -8.47! (180deg=-8.84!) USER MOD Single : A 26 LYS NZ :NH3+ -113:sc= 1.1 (180deg=-0.582) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.428 K(o=0.43,f=-9.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.249 K(o=-0.25,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -2.62 X(o=-2.6,f=-3) USER MOD Single : A 57 TYR OH : rot 25:sc= -1.51! USER MOD Single : A 59 LYS NZ :NH3+ 138:sc= 1.08 (180deg=-0.00381) USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= 0.881 (180deg=-0.225!) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0.0148 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.835 -6.818 -1.795 1.00 4.72 N ATOM 2 CA MET A 1 -19.590 -7.282 -2.450 1.00 3.91 C ATOM 3 C MET A 1 -18.626 -6.120 -2.682 1.00 3.33 C ATOM 4 O MET A 1 -18.037 -5.994 -3.757 1.00 3.61 O ATOM 5 CB MET A 1 -19.909 -7.970 -3.781 1.00 4.55 C ATOM 6 CG MET A 1 -20.441 -9.383 -3.625 1.00 4.71 C ATOM 7 SD MET A 1 -19.341 -10.431 -2.653 1.00 4.13 S ATOM 8 CE MET A 1 -20.195 -12.003 -2.754 1.00 4.87 C ATOM 0 H1 MET A 1 -21.500 -7.613 -1.710 1.00 4.72 H new ATOM 0 H2 MET A 1 -20.613 -6.450 -0.848 1.00 4.72 H new ATOM 0 H3 MET A 1 -21.268 -6.064 -2.366 1.00 4.72 H new ATOM 0 HA MET A 1 -19.110 -8.000 -1.785 1.00 3.91 H new ATOM 0 HB2 MET A 1 -20.643 -7.373 -4.322 1.00 4.55 H new ATOM 0 HB3 MET A 1 -19.007 -7.996 -4.392 1.00 4.55 H new ATOM 0 HG2 MET A 1 -21.420 -9.349 -3.148 1.00 4.71 H new ATOM 0 HG3 MET A 1 -20.582 -9.826 -4.611 1.00 4.71 H new ATOM 0 HE1 MET A 1 -19.636 -12.757 -2.200 1.00 4.87 H new ATOM 0 HE2 MET A 1 -21.193 -11.903 -2.326 1.00 4.87 H new ATOM 0 HE3 MET A 1 -20.276 -12.306 -3.798 1.00 4.87 H new ATOM 20 N ASP A 2 -18.462 -5.272 -1.674 1.00 2.92 N ATOM 21 CA ASP A 2 -17.562 -4.131 -1.778 1.00 2.35 C ATOM 22 C ASP A 2 -16.351 -4.328 -0.879 1.00 1.49 C ATOM 23 O ASP A 2 -16.381 -3.972 0.302 1.00 2.19 O ATOM 24 CB ASP A 2 -18.252 -2.809 -1.407 1.00 3.12 C ATOM 25 CG ASP A 2 -19.597 -2.986 -0.737 1.00 3.49 C ATOM 26 OD1 ASP A 2 -19.645 -3.453 0.421 1.00 3.78 O ATOM 27 OD2 ASP A 2 -20.621 -2.649 -1.367 1.00 3.74 O ATOM 0 H ASP A 2 -18.940 -5.353 -0.777 1.00 2.92 H new ATOM 0 HA ASP A 2 -17.250 -4.071 -2.821 1.00 2.35 H new ATOM 0 HB2 ASP A 2 -17.598 -2.243 -0.743 1.00 3.12 H new ATOM 0 HB3 ASP A 2 -18.383 -2.213 -2.310 1.00 3.12 H new ATOM 32 N GLU A 3 -15.294 -4.922 -1.429 1.00 1.10 N ATOM 33 CA GLU A 3 -14.046 -5.139 -0.632 1.00 1.61 C ATOM 34 C GLU A 3 -13.384 -3.803 -0.255 1.00 1.59 C ATOM 35 O GLU A 3 -12.421 -3.783 0.511 1.00 2.54 O ATOM 36 CB GLU A 3 -12.973 -6.050 -1.342 1.00 2.55 C ATOM 37 CG GLU A 3 -13.453 -7.468 -1.636 1.00 3.11 C ATOM 38 CD GLU A 3 -14.552 -7.523 -2.674 1.00 3.06 C ATOM 39 OE1 GLU A 3 -14.278 -7.217 -3.854 1.00 3.62 O ATOM 40 OE2 GLU A 3 -15.692 -7.881 -2.319 1.00 2.92 O ATOM 0 H GLU A 3 -15.255 -5.259 -2.391 1.00 1.10 H new ATOM 0 HA GLU A 3 -14.381 -5.666 0.261 1.00 1.61 H new ATOM 0 HB2 GLU A 3 -12.674 -5.578 -2.278 1.00 2.55 H new ATOM 0 HB3 GLU A 3 -12.084 -6.102 -0.713 1.00 2.55 H new ATOM 0 HG2 GLU A 3 -12.609 -8.067 -1.978 1.00 3.11 H new ATOM 0 HG3 GLU A 3 -13.812 -7.922 -0.712 1.00 3.11 H new ATOM 47 N THR A 4 -13.913 -2.689 -0.758 1.00 0.85 N ATOM 48 CA THR A 4 -13.341 -1.378 -0.445 1.00 0.76 C ATOM 49 C THR A 4 -14.104 -0.733 0.711 1.00 0.68 C ATOM 50 O THR A 4 -13.946 0.450 1.013 1.00 0.74 O ATOM 51 CB THR A 4 -13.278 -0.412 -1.675 1.00 0.87 C ATOM 52 OG1 THR A 4 -12.325 0.630 -1.433 1.00 1.41 O ATOM 53 CG2 THR A 4 -14.631 0.228 -1.986 1.00 1.48 C ATOM 0 H THR A 4 -14.725 -2.665 -1.375 1.00 0.85 H new ATOM 0 HA THR A 4 -12.307 -1.553 -0.149 1.00 0.76 H new ATOM 0 HB THR A 4 -12.981 -1.016 -2.533 1.00 0.87 H new ATOM 0 HG1 THR A 4 -11.553 0.262 -0.955 1.00 1.41 H new ATOM 0 HG21 THR A 4 -14.532 0.889 -2.847 1.00 1.48 H new ATOM 0 HG22 THR A 4 -15.360 -0.552 -2.209 1.00 1.48 H new ATOM 0 HG23 THR A 4 -14.968 0.804 -1.124 1.00 1.48 H new ATOM 61 N GLY A 5 -14.888 -1.551 1.388 1.00 0.68 N ATOM 62 CA GLY A 5 -15.679 -1.084 2.512 1.00 0.70 C ATOM 63 C GLY A 5 -14.950 -1.271 3.825 1.00 0.66 C ATOM 64 O GLY A 5 -15.450 -1.931 4.735 1.00 0.77 O ATOM 0 H GLY A 5 -14.994 -2.544 1.179 1.00 0.68 H new ATOM 0 HA2 GLY A 5 -15.918 -0.029 2.376 1.00 0.70 H new ATOM 0 HA3 GLY A 5 -16.625 -1.624 2.541 1.00 0.70 H new ATOM 68 N LYS A 6 -13.761 -0.695 3.911 1.00 0.68 N ATOM 69 CA LYS A 6 -12.931 -0.777 5.090 1.00 0.71 C ATOM 70 C LYS A 6 -12.247 0.567 5.299 1.00 0.50 C ATOM 71 O LYS A 6 -12.666 1.574 4.731 1.00 0.49 O ATOM 72 CB LYS A 6 -11.846 -1.863 4.943 1.00 0.88 C ATOM 73 CG LYS A 6 -12.313 -3.268 4.541 1.00 0.97 C ATOM 74 CD LYS A 6 -11.123 -4.141 4.174 1.00 1.03 C ATOM 75 CE LYS A 6 -11.555 -5.549 3.805 1.00 1.68 C ATOM 76 NZ LYS A 6 -11.757 -5.709 2.340 1.00 2.21 N ATOM 0 H LYS A 6 -13.346 -0.153 3.153 1.00 0.68 H new ATOM 0 HA LYS A 6 -13.565 -1.035 5.939 1.00 0.71 H new ATOM 0 HB2 LYS A 6 -11.124 -1.521 4.201 1.00 0.88 H new ATOM 0 HB3 LYS A 6 -11.315 -1.942 5.892 1.00 0.88 H new ATOM 0 HG2 LYS A 6 -12.865 -3.723 5.363 1.00 0.97 H new ATOM 0 HG3 LYS A 6 -12.997 -3.202 3.695 1.00 0.97 H new ATOM 0 HD2 LYS A 6 -10.587 -3.693 3.337 1.00 1.03 H new ATOM 0 HD3 LYS A 6 -10.428 -4.181 5.013 1.00 1.03 H new ATOM 0 HE2 LYS A 6 -10.802 -6.259 4.146 1.00 1.68 H new ATOM 0 HE3 LYS A 6 -12.481 -5.791 4.326 1.00 1.68 H new ATOM 0 HZ1 LYS A 6 -12.500 -6.416 2.167 1.00 2.21 H new ATOM 0 HZ2 LYS A 6 -12.043 -4.798 1.928 1.00 2.21 H new ATOM 0 HZ3 LYS A 6 -10.869 -6.025 1.900 1.00 2.21 H new ATOM 90 N GLU A 7 -11.203 0.576 6.114 1.00 0.40 N ATOM 91 CA GLU A 7 -10.449 1.794 6.363 1.00 0.30 C ATOM 92 C GLU A 7 -9.667 2.147 5.110 1.00 0.21 C ATOM 93 O GLU A 7 -8.835 1.363 4.646 1.00 0.27 O ATOM 94 CB GLU A 7 -9.503 1.606 7.549 1.00 0.41 C ATOM 95 CG GLU A 7 -8.826 2.888 8.003 1.00 0.62 C ATOM 96 CD GLU A 7 -8.061 2.710 9.290 1.00 0.89 C ATOM 97 OE1 GLU A 7 -8.650 2.905 10.376 1.00 1.62 O ATOM 98 OE2 GLU A 7 -6.864 2.373 9.227 1.00 1.75 O ATOM 0 H GLU A 7 -10.860 -0.245 6.613 1.00 0.40 H new ATOM 0 HA GLU A 7 -11.134 2.605 6.609 1.00 0.30 H new ATOM 0 HB2 GLU A 7 -10.062 1.186 8.385 1.00 0.41 H new ATOM 0 HB3 GLU A 7 -8.738 0.878 7.280 1.00 0.41 H new ATOM 0 HG2 GLU A 7 -8.146 3.232 7.224 1.00 0.62 H new ATOM 0 HG3 GLU A 7 -9.578 3.666 8.135 1.00 0.62 H new ATOM 105 N LEU A 8 -9.957 3.301 4.544 1.00 0.28 N ATOM 106 CA LEU A 8 -9.297 3.725 3.329 1.00 0.22 C ATOM 107 C LEU A 8 -8.075 4.584 3.592 1.00 0.18 C ATOM 108 O LEU A 8 -7.958 5.266 4.615 1.00 0.23 O ATOM 109 CB LEU A 8 -10.278 4.486 2.447 1.00 0.25 C ATOM 110 CG LEU A 8 -11.447 3.641 1.938 1.00 0.31 C ATOM 111 CD1 LEU A 8 -12.534 4.510 1.319 1.00 0.38 C ATOM 112 CD2 LEU A 8 -10.966 2.597 0.942 1.00 0.32 C ATOM 0 H LEU A 8 -10.645 3.961 4.907 1.00 0.28 H new ATOM 0 HA LEU A 8 -8.953 2.823 2.822 1.00 0.22 H new ATOM 0 HB2 LEU A 8 -10.673 5.333 3.008 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -9.740 4.894 1.592 1.00 0.25 H new ATOM 0 HG LEU A 8 -11.879 3.127 2.796 1.00 0.31 H new ATOM 0 HD11 LEU A 8 -13.349 3.878 0.968 1.00 0.38 H new ATOM 0 HD12 LEU A 8 -12.912 5.207 2.067 1.00 0.38 H new ATOM 0 HD13 LEU A 8 -12.120 5.068 0.479 1.00 0.38 H new ATOM 0 HD21 LEU A 8 -11.815 2.008 0.594 1.00 0.32 H new ATOM 0 HD22 LEU A 8 -10.496 3.093 0.093 1.00 0.32 H new ATOM 0 HD23 LEU A 8 -10.242 1.940 1.424 1.00 0.32 H new ATOM 124 N VAL A 9 -7.165 4.524 2.643 1.00 0.13 N ATOM 125 CA VAL A 9 -5.933 5.291 2.681 1.00 0.12 C ATOM 126 C VAL A 9 -5.720 6.006 1.359 1.00 0.11 C ATOM 127 O VAL A 9 -6.253 5.605 0.323 1.00 0.11 O ATOM 128 CB VAL A 9 -4.693 4.425 2.959 1.00 0.12 C ATOM 129 CG1 VAL A 9 -4.500 4.215 4.443 1.00 0.14 C ATOM 130 CG2 VAL A 9 -4.781 3.099 2.233 1.00 0.13 C ATOM 0 H VAL A 9 -7.258 3.936 1.814 1.00 0.13 H new ATOM 0 HA VAL A 9 -6.045 6.001 3.501 1.00 0.12 H new ATOM 0 HB VAL A 9 -3.822 4.959 2.579 1.00 0.12 H new ATOM 0 HG11 VAL A 9 -3.616 3.599 4.611 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -4.369 5.180 4.933 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -5.375 3.714 4.856 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -3.891 2.507 2.447 1.00 0.13 H new ATOM 0 HG22 VAL A 9 -5.666 2.558 2.569 1.00 0.13 H new ATOM 0 HG23 VAL A 9 -4.849 3.276 1.160 1.00 0.13 H new ATOM 140 N LEU A 10 -4.939 7.059 1.404 1.00 0.11 N ATOM 141 CA LEU A 10 -4.642 7.851 0.223 1.00 0.11 C ATOM 142 C LEU A 10 -3.210 7.602 -0.222 1.00 0.11 C ATOM 143 O LEU A 10 -2.305 7.553 0.608 1.00 0.12 O ATOM 144 CB LEU A 10 -4.837 9.337 0.521 1.00 0.13 C ATOM 145 CG LEU A 10 -4.413 10.285 -0.598 1.00 0.15 C ATOM 146 CD1 LEU A 10 -5.544 10.462 -1.596 1.00 0.16 C ATOM 147 CD2 LEU A 10 -3.982 11.622 -0.022 1.00 0.18 C ATOM 0 H LEU A 10 -4.490 7.395 2.256 1.00 0.11 H new ATOM 0 HA LEU A 10 -5.323 7.557 -0.576 1.00 0.11 H new ATOM 0 HB2 LEU A 10 -5.890 9.511 0.744 1.00 0.13 H new ATOM 0 HB3 LEU A 10 -4.275 9.588 1.421 1.00 0.13 H new ATOM 0 HG LEU A 10 -3.562 9.851 -1.123 1.00 0.15 H new ATOM 0 HD11 LEU A 10 -5.227 11.140 -2.388 1.00 0.16 H new ATOM 0 HD12 LEU A 10 -5.803 9.495 -2.028 1.00 0.16 H new ATOM 0 HD13 LEU A 10 -6.415 10.878 -1.089 1.00 0.16 H new ATOM 0 HD21 LEU A 10 -3.682 12.287 -0.832 1.00 0.18 H new ATOM 0 HD22 LEU A 10 -4.813 12.067 0.525 1.00 0.18 H new ATOM 0 HD23 LEU A 10 -3.141 11.472 0.655 1.00 0.18 H new ATOM 159 N ALA A 11 -3.010 7.437 -1.520 1.00 0.11 N ATOM 160 CA ALA A 11 -1.676 7.206 -2.054 1.00 0.12 C ATOM 161 C ALA A 11 -0.956 8.534 -2.284 1.00 0.12 C ATOM 162 O ALA A 11 -1.345 9.319 -3.155 1.00 0.14 O ATOM 163 CB ALA A 11 -1.749 6.422 -3.352 1.00 0.13 C ATOM 0 H ALA A 11 -3.751 7.458 -2.221 1.00 0.11 H new ATOM 0 HA ALA A 11 -1.113 6.623 -1.325 1.00 0.12 H new ATOM 0 HB1 ALA A 11 -0.742 6.259 -3.736 1.00 0.13 H new ATOM 0 HB2 ALA A 11 -2.228 5.460 -3.170 1.00 0.13 H new ATOM 0 HB3 ALA A 11 -2.330 6.983 -4.084 1.00 0.13 H new ATOM 169 N LEU A 12 0.077 8.786 -1.492 1.00 0.13 N ATOM 170 CA LEU A 12 0.848 10.017 -1.587 1.00 0.14 C ATOM 171 C LEU A 12 1.780 10.038 -2.789 1.00 0.15 C ATOM 172 O LEU A 12 2.041 11.099 -3.354 1.00 0.19 O ATOM 173 CB LEU A 12 1.675 10.221 -0.320 1.00 0.16 C ATOM 174 CG LEU A 12 0.893 10.780 0.865 1.00 0.17 C ATOM 175 CD1 LEU A 12 -0.052 9.738 1.425 1.00 0.15 C ATOM 176 CD2 LEU A 12 1.836 11.293 1.946 1.00 0.21 C ATOM 0 H LEU A 12 0.403 8.145 -0.768 1.00 0.13 H new ATOM 0 HA LEU A 12 0.126 10.824 -1.708 1.00 0.14 H new ATOM 0 HB2 LEU A 12 2.114 9.266 -0.031 1.00 0.16 H new ATOM 0 HB3 LEU A 12 2.500 10.896 -0.545 1.00 0.16 H new ATOM 0 HG LEU A 12 0.298 11.622 0.510 1.00 0.17 H new ATOM 0 HD11 LEU A 12 -0.599 10.159 2.269 1.00 0.15 H new ATOM 0 HD12 LEU A 12 -0.757 9.433 0.652 1.00 0.15 H new ATOM 0 HD13 LEU A 12 0.518 8.871 1.758 1.00 0.15 H new ATOM 0 HD21 LEU A 12 1.254 11.686 2.780 1.00 0.21 H new ATOM 0 HD22 LEU A 12 2.466 10.476 2.297 1.00 0.21 H new ATOM 0 HD23 LEU A 12 2.463 12.085 1.536 1.00 0.21 H new ATOM 188 N TYR A 13 2.304 8.882 -3.171 1.00 0.15 N ATOM 189 CA TYR A 13 3.230 8.821 -4.297 1.00 0.17 C ATOM 190 C TYR A 13 2.973 7.596 -5.159 1.00 0.16 C ATOM 191 O TYR A 13 2.251 6.681 -4.764 1.00 0.16 O ATOM 192 CB TYR A 13 4.687 8.782 -3.809 1.00 0.19 C ATOM 193 CG TYR A 13 4.961 9.583 -2.554 1.00 0.18 C ATOM 194 CD1 TYR A 13 5.192 10.949 -2.616 1.00 0.20 C ATOM 195 CD2 TYR A 13 4.990 8.968 -1.309 1.00 0.18 C ATOM 196 CE1 TYR A 13 5.444 11.680 -1.471 1.00 0.21 C ATOM 197 CE2 TYR A 13 5.240 9.692 -0.161 1.00 0.19 C ATOM 198 CZ TYR A 13 5.466 11.046 -0.247 1.00 0.21 C ATOM 199 OH TYR A 13 5.724 11.769 0.896 1.00 0.24 O ATOM 0 H TYR A 13 2.109 7.985 -2.727 1.00 0.15 H new ATOM 0 HA TYR A 13 3.066 9.720 -4.891 1.00 0.17 H new ATOM 0 HB2 TYR A 13 4.967 7.744 -3.628 1.00 0.19 H new ATOM 0 HB3 TYR A 13 5.332 9.152 -4.606 1.00 0.19 H new ATOM 0 HD1 TYR A 13 5.175 11.449 -3.573 1.00 0.20 H new ATOM 0 HD2 TYR A 13 4.814 7.905 -1.238 1.00 0.18 H new ATOM 0 HE1 TYR A 13 5.623 12.743 -1.535 1.00 0.21 H new ATOM 0 HE2 TYR A 13 5.258 9.198 0.799 1.00 0.19 H new ATOM 0 HH TYR A 13 5.702 11.172 1.673 1.00 0.24 H new ATOM 209 N ASP A 14 3.574 7.596 -6.338 1.00 0.17 N ATOM 210 CA ASP A 14 3.470 6.494 -7.267 1.00 0.17 C ATOM 211 C ASP A 14 4.395 5.388 -6.801 1.00 0.16 C ATOM 212 O ASP A 14 5.539 5.640 -6.420 1.00 0.21 O ATOM 213 CB ASP A 14 3.855 6.951 -8.677 1.00 0.23 C ATOM 214 CG ASP A 14 3.719 5.857 -9.717 1.00 1.05 C ATOM 215 OD1 ASP A 14 4.644 5.024 -9.841 1.00 1.06 O ATOM 216 OD2 ASP A 14 2.697 5.838 -10.437 1.00 2.02 O ATOM 0 H ASP A 14 4.150 8.368 -6.675 1.00 0.17 H new ATOM 0 HA ASP A 14 2.443 6.130 -7.300 1.00 0.17 H new ATOM 0 HB2 ASP A 14 3.227 7.795 -8.963 1.00 0.23 H new ATOM 0 HB3 ASP A 14 4.885 7.309 -8.668 1.00 0.23 H new ATOM 221 N TYR A 15 3.900 4.178 -6.821 1.00 0.13 N ATOM 222 CA TYR A 15 4.682 3.036 -6.377 1.00 0.12 C ATOM 223 C TYR A 15 4.524 1.861 -7.331 1.00 0.14 C ATOM 224 O TYR A 15 3.437 1.617 -7.851 1.00 0.18 O ATOM 225 CB TYR A 15 4.265 2.618 -4.962 1.00 0.13 C ATOM 226 CG TYR A 15 4.989 1.384 -4.469 1.00 0.16 C ATOM 227 CD1 TYR A 15 6.353 1.415 -4.233 1.00 0.20 C ATOM 228 CD2 TYR A 15 4.313 0.190 -4.260 1.00 0.20 C ATOM 229 CE1 TYR A 15 7.027 0.293 -3.804 1.00 0.27 C ATOM 230 CE2 TYR A 15 4.982 -0.941 -3.830 1.00 0.26 C ATOM 231 CZ TYR A 15 6.342 -0.884 -3.605 1.00 0.29 C ATOM 232 OH TYR A 15 7.017 -2.002 -3.179 1.00 0.37 O ATOM 0 H TYR A 15 2.958 3.950 -7.139 1.00 0.13 H new ATOM 0 HA TYR A 15 5.731 3.333 -6.366 1.00 0.12 H new ATOM 0 HB2 TYR A 15 4.456 3.443 -4.275 1.00 0.13 H new ATOM 0 HB3 TYR A 15 3.191 2.432 -4.946 1.00 0.13 H new ATOM 0 HD1 TYR A 15 6.898 2.335 -4.388 1.00 0.20 H new ATOM 0 HD2 TYR A 15 3.248 0.144 -4.436 1.00 0.20 H new ATOM 0 HE1 TYR A 15 8.091 0.337 -3.624 1.00 0.27 H new ATOM 0 HE2 TYR A 15 4.443 -1.863 -3.671 1.00 0.26 H new ATOM 0 HH TYR A 15 7.257 -1.899 -2.234 1.00 0.37 H new ATOM 242 N GLN A 16 5.615 1.145 -7.554 1.00 0.14 N ATOM 243 CA GLN A 16 5.623 -0.018 -8.429 1.00 0.18 C ATOM 244 C GLN A 16 6.019 -1.246 -7.615 1.00 0.16 C ATOM 245 O GLN A 16 7.035 -1.230 -6.912 1.00 0.18 O ATOM 246 CB GLN A 16 6.627 0.206 -9.574 1.00 0.25 C ATOM 247 CG GLN A 16 6.035 0.209 -10.988 1.00 0.65 C ATOM 248 CD GLN A 16 5.111 -0.969 -11.256 1.00 0.91 C ATOM 249 OE1 GLN A 16 4.064 -0.825 -11.888 1.00 1.25 O ATOM 250 NE2 GLN A 16 5.515 -2.152 -10.820 1.00 1.92 N ATOM 0 H GLN A 16 6.521 1.354 -7.133 1.00 0.14 H new ATOM 0 HA GLN A 16 4.632 -0.171 -8.856 1.00 0.18 H new ATOM 0 HB2 GLN A 16 7.131 1.158 -9.409 1.00 0.25 H new ATOM 0 HB3 GLN A 16 7.389 -0.571 -9.521 1.00 0.25 H new ATOM 0 HG2 GLN A 16 5.484 1.137 -11.142 1.00 0.65 H new ATOM 0 HG3 GLN A 16 6.847 0.197 -11.715 1.00 0.65 H new ATOM 0 HE21 GLN A 16 6.388 -2.233 -10.299 1.00 1.92 H new ATOM 0 HE22 GLN A 16 4.953 -2.983 -11.005 1.00 1.92 H new ATOM 259 N GLU A 17 5.207 -2.294 -7.689 1.00 0.16 N ATOM 260 CA GLU A 17 5.480 -3.526 -6.952 1.00 0.17 C ATOM 261 C GLU A 17 6.832 -4.121 -7.351 1.00 0.19 C ATOM 262 O GLU A 17 7.199 -4.121 -8.528 1.00 0.24 O ATOM 263 CB GLU A 17 4.363 -4.554 -7.176 1.00 0.19 C ATOM 264 CG GLU A 17 4.435 -5.294 -8.507 1.00 0.25 C ATOM 265 CD GLU A 17 3.519 -4.711 -9.557 1.00 0.31 C ATOM 266 OE1 GLU A 17 2.323 -4.516 -9.262 1.00 0.41 O ATOM 267 OE2 GLU A 17 3.985 -4.441 -10.682 1.00 0.56 O ATOM 0 H GLU A 17 4.355 -2.317 -8.250 1.00 0.16 H new ATOM 0 HA GLU A 17 5.516 -3.275 -5.892 1.00 0.17 H new ATOM 0 HB2 GLU A 17 4.393 -5.285 -6.368 1.00 0.19 H new ATOM 0 HB3 GLU A 17 3.401 -4.045 -7.110 1.00 0.19 H new ATOM 0 HG2 GLU A 17 5.461 -5.271 -8.874 1.00 0.25 H new ATOM 0 HG3 GLU A 17 4.177 -6.341 -8.349 1.00 0.25 H new ATOM 274 N LYS A 18 7.573 -4.615 -6.366 1.00 0.23 N ATOM 275 CA LYS A 18 8.883 -5.210 -6.631 1.00 0.27 C ATOM 276 C LYS A 18 8.800 -6.730 -6.538 1.00 0.36 C ATOM 277 O LYS A 18 9.448 -7.448 -7.296 1.00 0.47 O ATOM 278 CB LYS A 18 9.935 -4.695 -5.643 1.00 0.33 C ATOM 279 CG LYS A 18 10.009 -3.171 -5.525 1.00 0.32 C ATOM 280 CD LYS A 18 10.925 -2.742 -4.383 1.00 0.43 C ATOM 281 CE LYS A 18 10.289 -2.978 -3.012 1.00 0.53 C ATOM 282 NZ LYS A 18 10.195 -4.425 -2.676 1.00 0.63 N ATOM 0 H LYS A 18 7.295 -4.617 -5.385 1.00 0.23 H new ATOM 0 HA LYS A 18 9.182 -4.922 -7.639 1.00 0.27 H new ATOM 0 HB2 LYS A 18 9.724 -5.112 -4.658 1.00 0.33 H new ATOM 0 HB3 LYS A 18 10.913 -5.070 -5.946 1.00 0.33 H new ATOM 0 HG2 LYS A 18 10.373 -2.750 -6.462 1.00 0.32 H new ATOM 0 HG3 LYS A 18 9.009 -2.769 -5.361 1.00 0.32 H new ATOM 0 HD2 LYS A 18 11.863 -3.293 -4.446 1.00 0.43 H new ATOM 0 HD3 LYS A 18 11.168 -1.685 -4.492 1.00 0.43 H new ATOM 0 HE2 LYS A 18 10.876 -2.467 -2.249 1.00 0.53 H new ATOM 0 HE3 LYS A 18 9.292 -2.538 -2.995 1.00 0.53 H new ATOM 0 HZ1 LYS A 18 10.291 -4.550 -1.648 1.00 0.63 H new ATOM 0 HZ2 LYS A 18 9.273 -4.794 -2.985 1.00 0.63 H new ATOM 0 HZ3 LYS A 18 10.956 -4.944 -3.160 1.00 0.63 H new ATOM 296 N SER A 19 8.020 -7.213 -5.582 1.00 0.38 N ATOM 297 CA SER A 19 7.840 -8.638 -5.396 1.00 0.47 C ATOM 298 C SER A 19 6.362 -8.987 -5.551 1.00 0.34 C ATOM 299 O SER A 19 5.511 -8.093 -5.551 1.00 0.25 O ATOM 300 CB SER A 19 8.355 -9.054 -4.012 1.00 0.62 C ATOM 301 OG SER A 19 7.411 -8.750 -2.995 1.00 0.71 O ATOM 0 H SER A 19 7.501 -6.633 -4.923 1.00 0.38 H new ATOM 0 HA SER A 19 8.410 -9.181 -6.150 1.00 0.47 H new ATOM 0 HB2 SER A 19 8.566 -10.123 -4.007 1.00 0.62 H new ATOM 0 HB3 SER A 19 9.295 -8.543 -3.803 1.00 0.62 H new ATOM 0 HG SER A 19 7.756 -8.024 -2.435 1.00 0.71 H new ATOM 307 N PRO A 20 6.025 -10.282 -5.695 1.00 0.41 N ATOM 308 CA PRO A 20 4.633 -10.737 -5.845 1.00 0.39 C ATOM 309 C PRO A 20 3.762 -10.397 -4.630 1.00 0.30 C ATOM 310 O PRO A 20 2.540 -10.549 -4.667 1.00 0.37 O ATOM 311 CB PRO A 20 4.779 -12.256 -5.993 1.00 0.49 C ATOM 312 CG PRO A 20 6.166 -12.446 -6.488 1.00 0.62 C ATOM 313 CD PRO A 20 6.964 -11.415 -5.758 1.00 0.58 C ATOM 0 HA PRO A 20 4.135 -10.253 -6.685 1.00 0.39 H new ATOM 0 HB2 PRO A 20 4.623 -12.765 -5.042 1.00 0.49 H new ATOM 0 HB3 PRO A 20 4.048 -12.659 -6.694 1.00 0.49 H new ATOM 0 HG2 PRO A 20 6.529 -13.452 -6.278 1.00 0.62 H new ATOM 0 HG3 PRO A 20 6.226 -12.305 -7.567 1.00 0.62 H new ATOM 0 HD2 PRO A 20 7.258 -11.756 -4.765 1.00 0.58 H new ATOM 0 HD3 PRO A 20 7.879 -11.156 -6.290 1.00 0.58 H new ATOM 321 N ALA A 21 4.396 -9.930 -3.559 1.00 0.24 N ATOM 322 CA ALA A 21 3.678 -9.565 -2.347 1.00 0.24 C ATOM 323 C ALA A 21 3.419 -8.070 -2.298 1.00 0.19 C ATOM 324 O ALA A 21 2.951 -7.542 -1.295 1.00 0.30 O ATOM 325 CB ALA A 21 4.451 -9.991 -1.111 1.00 0.39 C ATOM 0 H ALA A 21 5.406 -9.796 -3.508 1.00 0.24 H new ATOM 0 HA ALA A 21 2.721 -10.087 -2.362 1.00 0.24 H new ATOM 0 HB1 ALA A 21 3.894 -9.707 -0.218 1.00 0.39 H new ATOM 0 HB2 ALA A 21 4.590 -11.072 -1.124 1.00 0.39 H new ATOM 0 HB3 ALA A 21 5.424 -9.500 -1.103 1.00 0.39 H new ATOM 331 N GLU A 22 3.730 -7.389 -3.383 1.00 0.22 N ATOM 332 CA GLU A 22 3.531 -5.951 -3.459 1.00 0.16 C ATOM 333 C GLU A 22 2.511 -5.613 -4.535 1.00 0.13 C ATOM 334 O GLU A 22 2.272 -6.409 -5.446 1.00 0.17 O ATOM 335 CB GLU A 22 4.849 -5.223 -3.762 1.00 0.22 C ATOM 336 CG GLU A 22 5.722 -4.956 -2.542 1.00 0.20 C ATOM 337 CD GLU A 22 7.093 -5.569 -2.673 1.00 0.53 C ATOM 338 OE1 GLU A 22 7.820 -5.228 -3.623 1.00 0.95 O ATOM 339 OE2 GLU A 22 7.446 -6.401 -1.820 1.00 0.66 O ATOM 0 H GLU A 22 4.122 -7.807 -4.227 1.00 0.22 H new ATOM 0 HA GLU A 22 3.162 -5.618 -2.489 1.00 0.16 H new ATOM 0 HB2 GLU A 22 5.419 -5.815 -4.478 1.00 0.22 H new ATOM 0 HB3 GLU A 22 4.621 -4.272 -4.244 1.00 0.22 H new ATOM 0 HG2 GLU A 22 5.820 -3.880 -2.397 1.00 0.20 H new ATOM 0 HG3 GLU A 22 5.232 -5.354 -1.653 1.00 0.20 H new ATOM 346 N VAL A 23 1.897 -4.448 -4.414 1.00 0.10 N ATOM 347 CA VAL A 23 0.935 -3.991 -5.402 1.00 0.10 C ATOM 348 C VAL A 23 1.295 -2.584 -5.853 1.00 0.11 C ATOM 349 O VAL A 23 1.884 -1.808 -5.097 1.00 0.18 O ATOM 350 CB VAL A 23 -0.528 -4.025 -4.894 1.00 0.11 C ATOM 351 CG1 VAL A 23 -1.134 -5.408 -5.049 1.00 0.14 C ATOM 352 CG2 VAL A 23 -0.626 -3.553 -3.454 1.00 0.11 C ATOM 0 H VAL A 23 2.048 -3.801 -3.640 1.00 0.10 H new ATOM 0 HA VAL A 23 0.989 -4.685 -6.241 1.00 0.10 H new ATOM 0 HB VAL A 23 -1.102 -3.335 -5.512 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -2.161 -5.398 -4.683 1.00 0.14 H new ATOM 0 HG12 VAL A 23 -1.126 -5.693 -6.101 1.00 0.14 H new ATOM 0 HG13 VAL A 23 -0.551 -6.127 -4.474 1.00 0.14 H new ATOM 0 HG21 VAL A 23 -1.666 -3.589 -3.129 1.00 0.11 H new ATOM 0 HG22 VAL A 23 -0.024 -4.201 -2.817 1.00 0.11 H new ATOM 0 HG23 VAL A 23 -0.259 -2.529 -3.381 1.00 0.11 H new ATOM 362 N THR A 24 0.958 -2.273 -7.084 1.00 0.13 N ATOM 363 CA THR A 24 1.256 -0.977 -7.658 1.00 0.13 C ATOM 364 C THR A 24 0.149 0.030 -7.362 1.00 0.14 C ATOM 365 O THR A 24 -1.040 -0.276 -7.485 1.00 0.19 O ATOM 366 CB THR A 24 1.460 -1.115 -9.178 1.00 0.16 C ATOM 367 OG1 THR A 24 2.664 -1.848 -9.427 1.00 0.21 O ATOM 368 CG2 THR A 24 1.527 0.238 -9.869 1.00 0.17 C ATOM 0 H THR A 24 0.471 -2.908 -7.716 1.00 0.13 H new ATOM 0 HA THR A 24 2.173 -0.605 -7.202 1.00 0.13 H new ATOM 0 HB THR A 24 0.602 -1.648 -9.587 1.00 0.16 H new ATOM 0 HG1 THR A 24 2.716 -2.078 -10.378 1.00 0.21 H new ATOM 0 HG21 THR A 24 1.672 0.093 -10.940 1.00 0.17 H new ATOM 0 HG22 THR A 24 0.597 0.780 -9.699 1.00 0.17 H new ATOM 0 HG23 THR A 24 2.361 0.812 -9.465 1.00 0.17 H new ATOM 376 N MET A 25 0.551 1.232 -6.963 1.00 0.14 N ATOM 377 CA MET A 25 -0.393 2.298 -6.657 1.00 0.15 C ATOM 378 C MET A 25 0.024 3.580 -7.366 1.00 0.15 C ATOM 379 O MET A 25 1.178 3.728 -7.776 1.00 0.18 O ATOM 380 CB MET A 25 -0.489 2.544 -5.147 1.00 0.18 C ATOM 381 CG MET A 25 0.791 3.091 -4.529 1.00 0.20 C ATOM 382 SD MET A 25 0.532 3.833 -2.906 1.00 0.30 S ATOM 383 CE MET A 25 -0.525 2.617 -2.129 1.00 0.56 C ATOM 0 H MET A 25 1.530 1.492 -6.844 1.00 0.14 H new ATOM 0 HA MET A 25 -1.376 1.989 -7.011 1.00 0.15 H new ATOM 0 HB2 MET A 25 -1.302 3.244 -4.954 1.00 0.18 H new ATOM 0 HB3 MET A 25 -0.749 1.608 -4.652 1.00 0.18 H new ATOM 0 HG2 MET A 25 1.519 2.284 -4.441 1.00 0.20 H new ATOM 0 HG3 MET A 25 1.221 3.836 -5.198 1.00 0.20 H new ATOM 0 HE1 MET A 25 -0.654 2.866 -1.076 1.00 0.56 H new ATOM 0 HE2 MET A 25 -1.497 2.612 -2.622 1.00 0.56 H new ATOM 0 HE3 MET A 25 -0.069 1.631 -2.215 1.00 0.56 H new ATOM 393 N LYS A 26 -0.918 4.498 -7.502 1.00 0.17 N ATOM 394 CA LYS A 26 -0.659 5.774 -8.165 1.00 0.19 C ATOM 395 C LYS A 26 -1.081 6.919 -7.261 1.00 0.18 C ATOM 396 O LYS A 26 -2.019 6.784 -6.476 1.00 0.19 O ATOM 397 CB LYS A 26 -1.389 5.886 -9.523 1.00 0.23 C ATOM 398 CG LYS A 26 -0.578 5.377 -10.704 1.00 0.43 C ATOM 399 CD LYS A 26 -0.461 3.861 -10.708 1.00 0.70 C ATOM 400 CE LYS A 26 0.306 3.368 -11.924 1.00 1.43 C ATOM 401 NZ LYS A 26 1.689 3.910 -11.970 1.00 2.63 N ATOM 0 H LYS A 26 -1.873 4.387 -7.162 1.00 0.17 H new ATOM 0 HA LYS A 26 0.412 5.828 -8.362 1.00 0.19 H new ATOM 0 HB2 LYS A 26 -2.323 5.327 -9.469 1.00 0.23 H new ATOM 0 HB3 LYS A 26 -1.651 6.929 -9.698 1.00 0.23 H new ATOM 0 HG2 LYS A 26 -1.045 5.706 -11.632 1.00 0.43 H new ATOM 0 HG3 LYS A 26 0.419 5.817 -10.675 1.00 0.43 H new ATOM 0 HD2 LYS A 26 0.043 3.531 -9.800 1.00 0.70 H new ATOM 0 HD3 LYS A 26 -1.457 3.418 -10.699 1.00 0.70 H new ATOM 0 HE2 LYS A 26 0.344 2.279 -11.911 1.00 1.43 H new ATOM 0 HE3 LYS A 26 -0.227 3.657 -12.830 1.00 1.43 H new ATOM 0 HZ1 LYS A 26 1.782 4.556 -12.780 1.00 2.63 H new ATOM 0 HZ2 LYS A 26 1.889 4.427 -11.090 1.00 2.63 H new ATOM 0 HZ3 LYS A 26 2.366 3.127 -12.072 1.00 2.63 H new ATOM 415 N LYS A 27 -0.378 8.034 -7.365 1.00 0.20 N ATOM 416 CA LYS A 27 -0.679 9.210 -6.560 1.00 0.21 C ATOM 417 C LYS A 27 -2.090 9.710 -6.861 1.00 0.20 C ATOM 418 O LYS A 27 -2.453 9.931 -8.021 1.00 0.23 O ATOM 419 CB LYS A 27 0.354 10.317 -6.825 1.00 0.28 C ATOM 420 CG LYS A 27 -0.146 11.729 -6.546 1.00 0.30 C ATOM 421 CD LYS A 27 -0.219 12.023 -5.059 1.00 0.43 C ATOM 422 CE LYS A 27 -0.618 13.463 -4.797 1.00 0.98 C ATOM 423 NZ LYS A 27 0.339 14.145 -3.888 1.00 1.29 N ATOM 0 H LYS A 27 0.410 8.152 -8.002 1.00 0.20 H new ATOM 0 HA LYS A 27 -0.627 8.936 -5.506 1.00 0.21 H new ATOM 0 HB2 LYS A 27 1.235 10.129 -6.211 1.00 0.28 H new ATOM 0 HB3 LYS A 27 0.673 10.257 -7.866 1.00 0.28 H new ATOM 0 HG2 LYS A 27 0.516 12.450 -7.026 1.00 0.30 H new ATOM 0 HG3 LYS A 27 -1.133 11.858 -6.990 1.00 0.30 H new ATOM 0 HD2 LYS A 27 -0.939 11.353 -4.589 1.00 0.43 H new ATOM 0 HD3 LYS A 27 0.749 11.823 -4.599 1.00 0.43 H new ATOM 0 HE2 LYS A 27 -0.669 14.003 -5.742 1.00 0.98 H new ATOM 0 HE3 LYS A 27 -1.616 13.490 -4.360 1.00 0.98 H new ATOM 0 HZ1 LYS A 27 0.032 15.127 -3.734 1.00 1.29 H new ATOM 0 HZ2 LYS A 27 0.369 13.644 -2.977 1.00 1.29 H new ATOM 0 HZ3 LYS A 27 1.287 14.142 -4.316 1.00 1.29 H new ATOM 437 N GLY A 28 -2.880 9.870 -5.812 1.00 0.21 N ATOM 438 CA GLY A 28 -4.245 10.338 -5.986 1.00 0.23 C ATOM 439 C GLY A 28 -5.241 9.198 -5.959 1.00 0.23 C ATOM 440 O GLY A 28 -6.443 9.410 -6.115 1.00 0.29 O ATOM 0 H GLY A 28 -2.606 9.686 -4.847 1.00 0.21 H new ATOM 0 HA2 GLY A 28 -4.488 11.051 -5.198 1.00 0.23 H new ATOM 0 HA3 GLY A 28 -4.328 10.870 -6.934 1.00 0.23 H new ATOM 444 N ASP A 29 -4.743 7.986 -5.767 1.00 0.21 N ATOM 445 CA ASP A 29 -5.597 6.810 -5.727 1.00 0.22 C ATOM 446 C ASP A 29 -6.003 6.495 -4.303 1.00 0.19 C ATOM 447 O ASP A 29 -5.260 6.774 -3.359 1.00 0.20 O ATOM 448 CB ASP A 29 -4.888 5.595 -6.318 1.00 0.24 C ATOM 449 CG ASP A 29 -5.698 4.923 -7.406 1.00 0.46 C ATOM 450 OD1 ASP A 29 -6.862 4.561 -7.142 1.00 0.77 O ATOM 451 OD2 ASP A 29 -5.183 4.769 -8.534 1.00 0.80 O ATOM 0 H ASP A 29 -3.750 7.791 -5.636 1.00 0.21 H new ATOM 0 HA ASP A 29 -6.483 7.031 -6.322 1.00 0.22 H new ATOM 0 HB2 ASP A 29 -3.925 5.903 -6.724 1.00 0.24 H new ATOM 0 HB3 ASP A 29 -4.684 4.876 -5.525 1.00 0.24 H new ATOM 456 N ILE A 30 -7.180 5.921 -4.154 1.00 0.19 N ATOM 457 CA ILE A 30 -7.685 5.557 -2.846 1.00 0.18 C ATOM 458 C ILE A 30 -7.513 4.054 -2.645 1.00 0.17 C ATOM 459 O ILE A 30 -8.084 3.241 -3.380 1.00 0.23 O ATOM 460 CB ILE A 30 -9.172 5.982 -2.665 1.00 0.20 C ATOM 461 CG1 ILE A 30 -9.291 7.469 -2.280 1.00 0.20 C ATOM 462 CG2 ILE A 30 -9.858 5.123 -1.616 1.00 0.22 C ATOM 463 CD1 ILE A 30 -8.611 8.429 -3.237 1.00 0.22 C ATOM 0 H ILE A 30 -7.807 5.696 -4.927 1.00 0.19 H new ATOM 0 HA ILE A 30 -7.113 6.091 -2.087 1.00 0.18 H new ATOM 0 HB ILE A 30 -9.668 5.834 -3.624 1.00 0.20 H new ATOM 0 HG12 ILE A 30 -10.347 7.730 -2.215 1.00 0.20 H new ATOM 0 HG13 ILE A 30 -8.867 7.608 -1.286 1.00 0.20 H new ATOM 0 HG21 ILE A 30 -10.895 5.440 -1.508 1.00 0.22 H new ATOM 0 HG22 ILE A 30 -9.828 4.078 -1.925 1.00 0.22 H new ATOM 0 HG23 ILE A 30 -9.344 5.234 -0.661 1.00 0.22 H new ATOM 0 HD11 ILE A 30 -8.748 9.451 -2.885 1.00 0.22 H new ATOM 0 HD12 ILE A 30 -7.546 8.201 -3.285 1.00 0.22 H new ATOM 0 HD13 ILE A 30 -9.050 8.325 -4.229 1.00 0.22 H new ATOM 475 N LEU A 31 -6.692 3.701 -1.670 1.00 0.15 N ATOM 476 CA LEU A 31 -6.398 2.309 -1.362 1.00 0.15 C ATOM 477 C LEU A 31 -7.214 1.844 -0.164 1.00 0.14 C ATOM 478 O LEU A 31 -7.615 2.649 0.672 1.00 0.17 O ATOM 479 CB LEU A 31 -4.904 2.142 -1.051 1.00 0.16 C ATOM 480 CG LEU A 31 -3.969 1.915 -2.247 1.00 0.17 C ATOM 481 CD1 LEU A 31 -4.144 0.516 -2.812 1.00 0.18 C ATOM 482 CD2 LEU A 31 -4.184 2.969 -3.328 1.00 0.18 C ATOM 0 H LEU A 31 -6.210 4.370 -1.069 1.00 0.15 H new ATOM 0 HA LEU A 31 -6.660 1.704 -2.230 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -4.566 3.032 -0.520 1.00 0.16 H new ATOM 0 HB3 LEU A 31 -4.791 1.301 -0.367 1.00 0.16 H new ATOM 0 HG LEU A 31 -2.944 2.012 -1.890 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -3.471 0.379 -3.658 1.00 0.18 H new ATOM 0 HD12 LEU A 31 -3.912 -0.219 -2.041 1.00 0.18 H new ATOM 0 HD13 LEU A 31 -5.174 0.383 -3.142 1.00 0.18 H new ATOM 0 HD21 LEU A 31 -3.507 2.780 -4.161 1.00 0.18 H new ATOM 0 HD22 LEU A 31 -5.214 2.923 -3.681 1.00 0.18 H new ATOM 0 HD23 LEU A 31 -3.985 3.958 -2.916 1.00 0.18 H new ATOM 494 N THR A 32 -7.472 0.554 -0.098 1.00 0.16 N ATOM 495 CA THR A 32 -8.206 -0.026 1.013 1.00 0.16 C ATOM 496 C THR A 32 -7.237 -0.749 1.942 1.00 0.14 C ATOM 497 O THR A 32 -6.490 -1.620 1.498 1.00 0.15 O ATOM 498 CB THR A 32 -9.272 -1.019 0.521 1.00 0.19 C ATOM 499 OG1 THR A 32 -10.045 -0.430 -0.533 1.00 0.27 O ATOM 500 CG2 THR A 32 -10.188 -1.425 1.662 1.00 0.20 C ATOM 0 H THR A 32 -7.182 -0.120 -0.807 1.00 0.16 H new ATOM 0 HA THR A 32 -8.708 0.782 1.546 1.00 0.16 H new ATOM 0 HB THR A 32 -8.766 -1.907 0.143 1.00 0.19 H new ATOM 0 HG1 THR A 32 -10.355 -1.132 -1.143 1.00 0.27 H new ATOM 0 HG21 THR A 32 -10.936 -2.128 1.296 1.00 0.20 H new ATOM 0 HG22 THR A 32 -9.601 -1.898 2.449 1.00 0.20 H new ATOM 0 HG23 THR A 32 -10.685 -0.541 2.061 1.00 0.20 H new ATOM 508 N LEU A 33 -7.241 -0.393 3.220 1.00 0.13 N ATOM 509 CA LEU A 33 -6.339 -1.018 4.180 1.00 0.12 C ATOM 510 C LEU A 33 -6.842 -2.388 4.591 1.00 0.13 C ATOM 511 O LEU A 33 -8.000 -2.555 4.977 1.00 0.20 O ATOM 512 CB LEU A 33 -6.153 -0.145 5.420 1.00 0.13 C ATOM 513 CG LEU A 33 -4.820 0.602 5.492 1.00 0.13 C ATOM 514 CD1 LEU A 33 -4.707 1.360 6.797 1.00 0.17 C ATOM 515 CD2 LEU A 33 -3.646 -0.352 5.344 1.00 0.13 C ATOM 0 H LEU A 33 -7.854 0.320 3.615 1.00 0.13 H new ATOM 0 HA LEU A 33 -5.374 -1.130 3.686 1.00 0.12 H new ATOM 0 HB2 LEU A 33 -6.963 0.584 5.457 1.00 0.13 H new ATOM 0 HB3 LEU A 33 -6.248 -0.773 6.306 1.00 0.13 H new ATOM 0 HG LEU A 33 -4.792 1.311 4.665 1.00 0.13 H new ATOM 0 HD11 LEU A 33 -3.753 1.885 6.831 1.00 0.17 H new ATOM 0 HD12 LEU A 33 -5.521 2.081 6.871 1.00 0.17 H new ATOM 0 HD13 LEU A 33 -4.766 0.660 7.631 1.00 0.17 H new ATOM 0 HD21 LEU A 33 -2.713 0.208 5.399 1.00 0.13 H new ATOM 0 HD22 LEU A 33 -3.674 -1.090 6.145 1.00 0.13 H new ATOM 0 HD23 LEU A 33 -3.708 -0.859 4.381 1.00 0.13 H new ATOM 527 N LEU A 34 -5.961 -3.365 4.496 1.00 0.13 N ATOM 528 CA LEU A 34 -6.284 -4.732 4.852 1.00 0.14 C ATOM 529 C LEU A 34 -5.536 -5.143 6.114 1.00 0.16 C ATOM 530 O LEU A 34 -6.085 -5.826 6.979 1.00 0.19 O ATOM 531 CB LEU A 34 -5.912 -5.671 3.700 1.00 0.15 C ATOM 532 CG LEU A 34 -6.372 -5.223 2.312 1.00 0.17 C ATOM 533 CD1 LEU A 34 -5.910 -6.216 1.260 1.00 0.19 C ATOM 534 CD2 LEU A 34 -7.884 -5.063 2.265 1.00 0.20 C ATOM 0 H LEU A 34 -5.003 -3.233 4.171 1.00 0.13 H new ATOM 0 HA LEU A 34 -7.355 -4.800 5.042 1.00 0.14 H new ATOM 0 HB2 LEU A 34 -4.828 -5.788 3.685 1.00 0.15 H new ATOM 0 HB3 LEU A 34 -6.336 -6.654 3.904 1.00 0.15 H new ATOM 0 HG LEU A 34 -5.923 -4.252 2.100 1.00 0.17 H new ATOM 0 HD11 LEU A 34 -6.244 -5.886 0.276 1.00 0.19 H new ATOM 0 HD12 LEU A 34 -4.822 -6.279 1.272 1.00 0.19 H new ATOM 0 HD13 LEU A 34 -6.332 -7.197 1.476 1.00 0.19 H new ATOM 0 HD21 LEU A 34 -8.185 -4.744 1.267 1.00 0.20 H new ATOM 0 HD22 LEU A 34 -8.358 -6.016 2.500 1.00 0.20 H new ATOM 0 HD23 LEU A 34 -8.194 -4.314 2.994 1.00 0.20 H new ATOM 546 N ASN A 35 -4.284 -4.713 6.209 1.00 0.15 N ATOM 547 CA ASN A 35 -3.435 -5.035 7.352 1.00 0.17 C ATOM 548 C ASN A 35 -2.345 -3.980 7.504 1.00 0.16 C ATOM 549 O ASN A 35 -1.661 -3.648 6.538 1.00 0.24 O ATOM 550 CB ASN A 35 -2.819 -6.429 7.157 1.00 0.20 C ATOM 551 CG ASN A 35 -1.974 -6.909 8.333 1.00 0.26 C ATOM 552 OD1 ASN A 35 -1.147 -6.173 8.873 1.00 0.48 O ATOM 553 ND2 ASN A 35 -2.164 -8.161 8.728 1.00 0.56 N ATOM 0 H ASN A 35 -3.830 -4.135 5.502 1.00 0.15 H new ATOM 0 HA ASN A 35 -4.035 -5.041 8.262 1.00 0.17 H new ATOM 0 HB2 ASN A 35 -3.620 -7.147 6.983 1.00 0.20 H new ATOM 0 HB3 ASN A 35 -2.200 -6.418 6.260 1.00 0.20 H new ATOM 0 HD21 ASN A 35 -1.617 -8.541 9.501 1.00 0.56 H new ATOM 0 HD22 ASN A 35 -2.857 -8.744 8.259 1.00 0.56 H new ATOM 560 N SER A 36 -2.191 -3.450 8.710 1.00 0.17 N ATOM 561 CA SER A 36 -1.189 -2.430 8.968 1.00 0.17 C ATOM 562 C SER A 36 -0.370 -2.763 10.218 1.00 0.21 C ATOM 563 O SER A 36 0.061 -1.870 10.950 1.00 0.26 O ATOM 564 CB SER A 36 -1.874 -1.067 9.116 1.00 0.21 C ATOM 565 OG SER A 36 -3.058 -1.175 9.888 1.00 0.29 O ATOM 0 H SER A 36 -2.748 -3.711 9.524 1.00 0.17 H new ATOM 0 HA SER A 36 -0.499 -2.395 8.125 1.00 0.17 H new ATOM 0 HB2 SER A 36 -1.190 -0.362 9.589 1.00 0.21 H new ATOM 0 HB3 SER A 36 -2.113 -0.667 8.131 1.00 0.21 H new ATOM 0 HG SER A 36 -3.477 -0.293 9.970 1.00 0.29 H new ATOM 571 N THR A 37 -0.143 -4.057 10.454 1.00 0.23 N ATOM 572 CA THR A 37 0.630 -4.494 11.614 1.00 0.30 C ATOM 573 C THR A 37 2.114 -4.145 11.439 1.00 0.28 C ATOM 574 O THR A 37 2.894 -4.163 12.391 1.00 0.32 O ATOM 575 CB THR A 37 0.448 -6.011 11.888 1.00 0.36 C ATOM 576 OG1 THR A 37 0.718 -6.313 13.265 1.00 0.44 O ATOM 577 CG2 THR A 37 1.344 -6.872 11.006 1.00 0.37 C ATOM 0 H THR A 37 -0.482 -4.814 9.861 1.00 0.23 H new ATOM 0 HA THR A 37 0.249 -3.958 12.483 1.00 0.30 H new ATOM 0 HB THR A 37 -0.590 -6.245 11.651 1.00 0.36 H new ATOM 0 HG1 THR A 37 0.597 -7.273 13.419 1.00 0.44 H new ATOM 0 HG21 THR A 37 1.179 -7.924 11.237 1.00 0.37 H new ATOM 0 HG22 THR A 37 1.107 -6.689 9.958 1.00 0.37 H new ATOM 0 HG23 THR A 37 2.388 -6.620 11.192 1.00 0.37 H new ATOM 585 N ASN A 38 2.481 -3.792 10.214 1.00 0.22 N ATOM 586 CA ASN A 38 3.847 -3.421 9.885 1.00 0.21 C ATOM 587 C ASN A 38 3.926 -1.903 9.870 1.00 0.20 C ATOM 588 O ASN A 38 2.981 -1.237 9.457 1.00 0.23 O ATOM 589 CB ASN A 38 4.216 -4.016 8.530 1.00 0.21 C ATOM 590 CG ASN A 38 5.694 -3.903 8.168 1.00 0.23 C ATOM 591 OD1 ASN A 38 6.368 -2.938 8.522 1.00 0.24 O ATOM 592 ND2 ASN A 38 6.209 -4.887 7.438 1.00 0.27 N ATOM 0 H ASN A 38 1.839 -3.755 9.422 1.00 0.22 H new ATOM 0 HA ASN A 38 4.553 -3.807 10.620 1.00 0.21 H new ATOM 0 HB2 ASN A 38 3.933 -5.068 8.521 1.00 0.21 H new ATOM 0 HB3 ASN A 38 3.627 -3.521 7.758 1.00 0.21 H new ATOM 0 HD21 ASN A 38 7.189 -4.854 7.156 1.00 0.27 H new ATOM 0 HD22 ASN A 38 5.624 -5.675 7.159 1.00 0.27 H new ATOM 599 N LYS A 39 5.033 -1.360 10.328 1.00 0.20 N ATOM 600 CA LYS A 39 5.217 0.051 10.420 1.00 0.23 C ATOM 601 C LYS A 39 5.671 0.679 9.103 1.00 0.18 C ATOM 602 O LYS A 39 5.391 1.851 8.850 1.00 0.25 O ATOM 603 CB LYS A 39 6.268 0.286 11.495 1.00 0.38 C ATOM 604 CG LYS A 39 5.850 -0.094 12.912 1.00 1.06 C ATOM 605 CD LYS A 39 7.069 -0.313 13.786 1.00 1.56 C ATOM 606 CE LYS A 39 6.685 -0.827 15.160 1.00 2.65 C ATOM 607 NZ LYS A 39 7.872 -1.290 15.920 1.00 3.36 N ATOM 0 H LYS A 39 5.835 -1.903 10.648 1.00 0.20 H new ATOM 0 HA LYS A 39 4.264 0.521 10.664 1.00 0.23 H new ATOM 0 HB2 LYS A 39 7.163 -0.279 11.234 1.00 0.38 H new ATOM 0 HB3 LYS A 39 6.543 1.341 11.486 1.00 0.38 H new ATOM 0 HG2 LYS A 39 5.228 0.693 13.337 1.00 1.06 H new ATOM 0 HG3 LYS A 39 5.245 -1.000 12.888 1.00 1.06 H new ATOM 0 HD2 LYS A 39 7.739 -1.025 13.305 1.00 1.56 H new ATOM 0 HD3 LYS A 39 7.618 0.623 13.887 1.00 1.56 H new ATOM 0 HE2 LYS A 39 6.181 -0.037 15.717 1.00 2.65 H new ATOM 0 HE3 LYS A 39 5.975 -1.648 15.057 1.00 2.65 H new ATOM 0 HZ1 LYS A 39 7.573 -1.635 16.855 1.00 3.36 H new ATOM 0 HZ2 LYS A 39 8.339 -2.060 15.400 1.00 3.36 H new ATOM 0 HZ3 LYS A 39 8.538 -0.500 16.039 1.00 3.36 H new ATOM 621 N ASP A 40 6.346 -0.087 8.255 1.00 0.17 N ATOM 622 CA ASP A 40 6.859 0.462 7.001 1.00 0.16 C ATOM 623 C ASP A 40 6.124 -0.083 5.788 1.00 0.13 C ATOM 624 O ASP A 40 6.194 0.493 4.701 1.00 0.14 O ATOM 625 CB ASP A 40 8.354 0.170 6.866 1.00 0.22 C ATOM 626 CG ASP A 40 9.190 0.936 7.870 1.00 0.39 C ATOM 627 OD1 ASP A 40 9.053 2.174 7.950 1.00 0.56 O ATOM 628 OD2 ASP A 40 9.993 0.300 8.588 1.00 0.64 O ATOM 0 H ASP A 40 6.550 -1.075 8.406 1.00 0.17 H new ATOM 0 HA ASP A 40 6.693 1.539 7.035 1.00 0.16 H new ATOM 0 HB2 ASP A 40 8.525 -0.899 6.996 1.00 0.22 H new ATOM 0 HB3 ASP A 40 8.680 0.424 5.858 1.00 0.22 H new ATOM 633 N TRP A 41 5.415 -1.178 5.971 1.00 0.11 N ATOM 634 CA TRP A 41 4.682 -1.801 4.873 1.00 0.11 C ATOM 635 C TRP A 41 3.230 -2.062 5.254 1.00 0.10 C ATOM 636 O TRP A 41 2.951 -2.669 6.283 1.00 0.13 O ATOM 637 CB TRP A 41 5.360 -3.111 4.460 1.00 0.11 C ATOM 638 CG TRP A 41 6.718 -2.912 3.863 1.00 0.14 C ATOM 639 CD1 TRP A 41 7.909 -2.919 4.524 1.00 0.18 C ATOM 640 CD2 TRP A 41 7.023 -2.668 2.486 1.00 0.14 C ATOM 641 NE1 TRP A 41 8.937 -2.696 3.644 1.00 0.21 N ATOM 642 CE2 TRP A 41 8.419 -2.540 2.386 1.00 0.19 C ATOM 643 CE3 TRP A 41 6.250 -2.552 1.329 1.00 0.14 C ATOM 644 CZ2 TRP A 41 9.059 -2.298 1.173 1.00 0.22 C ATOM 645 CZ3 TRP A 41 6.885 -2.309 0.127 1.00 0.17 C ATOM 646 CH2 TRP A 41 8.277 -2.185 0.057 1.00 0.20 C ATOM 0 H TRP A 41 5.327 -1.659 6.866 1.00 0.11 H new ATOM 0 HA TRP A 41 4.691 -1.111 4.030 1.00 0.11 H new ATOM 0 HB2 TRP A 41 5.446 -3.759 5.333 1.00 0.11 H new ATOM 0 HB3 TRP A 41 4.726 -3.629 3.740 1.00 0.11 H new ATOM 0 HD1 TRP A 41 8.027 -3.077 5.586 1.00 0.18 H new ATOM 0 HE1 TRP A 41 9.927 -2.653 3.887 1.00 0.21 H new ATOM 0 HE3 TRP A 41 5.175 -2.650 1.373 1.00 0.14 H new ATOM 0 HZ2 TRP A 41 10.133 -2.203 1.116 1.00 0.22 H new ATOM 0 HZ3 TRP A 41 6.297 -2.213 -0.774 1.00 0.17 H new ATOM 0 HH2 TRP A 41 8.744 -1.996 -0.899 1.00 0.20 H new ATOM 657 N TRP A 42 2.307 -1.606 4.425 1.00 0.09 N ATOM 658 CA TRP A 42 0.889 -1.794 4.694 1.00 0.10 C ATOM 659 C TRP A 42 0.236 -2.620 3.593 1.00 0.11 C ATOM 660 O TRP A 42 0.486 -2.399 2.407 1.00 0.12 O ATOM 661 CB TRP A 42 0.188 -0.435 4.843 1.00 0.10 C ATOM 662 CG TRP A 42 0.405 0.189 6.194 1.00 0.10 C ATOM 663 CD1 TRP A 42 1.209 -0.289 7.176 1.00 0.11 C ATOM 664 CD2 TRP A 42 -0.171 1.399 6.709 1.00 0.12 C ATOM 665 NE1 TRP A 42 1.163 0.526 8.274 1.00 0.13 N ATOM 666 CE2 TRP A 42 0.329 1.576 8.011 1.00 0.14 C ATOM 667 CE3 TRP A 42 -1.056 2.348 6.201 1.00 0.14 C ATOM 668 CZ2 TRP A 42 -0.027 2.661 8.803 1.00 0.17 C ATOM 669 CZ3 TRP A 42 -1.411 3.429 6.993 1.00 0.17 C ATOM 670 CH2 TRP A 42 -0.894 3.575 8.278 1.00 0.19 C ATOM 0 H TRP A 42 2.512 -1.104 3.561 1.00 0.09 H new ATOM 0 HA TRP A 42 0.786 -2.340 5.632 1.00 0.10 H new ATOM 0 HB2 TRP A 42 0.553 0.243 4.072 1.00 0.10 H new ATOM 0 HB3 TRP A 42 -0.881 -0.563 4.675 1.00 0.10 H new ATOM 0 HD1 TRP A 42 1.803 -1.188 7.102 1.00 0.11 H new ATOM 0 HE1 TRP A 42 1.669 0.375 9.147 1.00 0.13 H new ATOM 0 HE3 TRP A 42 -1.459 2.243 5.205 1.00 0.14 H new ATOM 0 HZ2 TRP A 42 0.369 2.777 9.801 1.00 0.17 H new ATOM 0 HZ3 TRP A 42 -2.098 4.168 6.608 1.00 0.17 H new ATOM 0 HH2 TRP A 42 -1.185 4.429 8.871 1.00 0.19 H new ATOM 681 N LYS A 43 -0.579 -3.587 3.992 1.00 0.12 N ATOM 682 CA LYS A 43 -1.282 -4.444 3.049 1.00 0.15 C ATOM 683 C LYS A 43 -2.558 -3.751 2.605 1.00 0.12 C ATOM 684 O LYS A 43 -3.428 -3.463 3.425 1.00 0.13 O ATOM 685 CB LYS A 43 -1.615 -5.793 3.694 1.00 0.22 C ATOM 686 CG LYS A 43 -2.222 -6.817 2.732 1.00 0.27 C ATOM 687 CD LYS A 43 -2.738 -8.029 3.494 1.00 0.43 C ATOM 688 CE LYS A 43 -3.000 -9.229 2.595 1.00 1.04 C ATOM 689 NZ LYS A 43 -3.807 -8.884 1.398 1.00 1.83 N ATOM 0 H LYS A 43 -0.770 -3.798 4.971 1.00 0.12 H new ATOM 0 HA LYS A 43 -0.643 -4.627 2.185 1.00 0.15 H new ATOM 0 HB2 LYS A 43 -0.705 -6.211 4.125 1.00 0.22 H new ATOM 0 HB3 LYS A 43 -2.311 -5.628 4.517 1.00 0.22 H new ATOM 0 HG2 LYS A 43 -3.037 -6.359 2.172 1.00 0.27 H new ATOM 0 HG3 LYS A 43 -1.472 -7.130 2.005 1.00 0.27 H new ATOM 0 HD2 LYS A 43 -2.013 -8.306 4.259 1.00 0.43 H new ATOM 0 HD3 LYS A 43 -3.659 -7.761 4.011 1.00 0.43 H new ATOM 0 HE2 LYS A 43 -2.048 -9.653 2.276 1.00 1.04 H new ATOM 0 HE3 LYS A 43 -3.517 -10.000 3.167 1.00 1.04 H new ATOM 0 HZ1 LYS A 43 -3.984 -9.743 0.839 1.00 1.83 H new ATOM 0 HZ2 LYS A 43 -4.714 -8.473 1.698 1.00 1.83 H new ATOM 0 HZ3 LYS A 43 -3.289 -8.194 0.817 1.00 1.83 H new ATOM 703 N VAL A 44 -2.665 -3.480 1.317 1.00 0.12 N ATOM 704 CA VAL A 44 -3.827 -2.794 0.776 1.00 0.12 C ATOM 705 C VAL A 44 -4.344 -3.486 -0.478 1.00 0.12 C ATOM 706 O VAL A 44 -3.747 -4.450 -0.963 1.00 0.17 O ATOM 707 CB VAL A 44 -3.500 -1.325 0.430 1.00 0.14 C ATOM 708 CG1 VAL A 44 -3.297 -0.500 1.691 1.00 0.20 C ATOM 709 CG2 VAL A 44 -2.273 -1.253 -0.468 1.00 0.17 C ATOM 0 H VAL A 44 -1.959 -3.725 0.623 1.00 0.12 H new ATOM 0 HA VAL A 44 -4.595 -2.823 1.549 1.00 0.12 H new ATOM 0 HB VAL A 44 -4.348 -0.904 -0.110 1.00 0.14 H new ATOM 0 HG11 VAL A 44 -3.068 0.530 1.419 1.00 0.20 H new ATOM 0 HG12 VAL A 44 -4.207 -0.523 2.291 1.00 0.20 H new ATOM 0 HG13 VAL A 44 -2.471 -0.915 2.268 1.00 0.20 H new ATOM 0 HG21 VAL A 44 -2.055 -0.211 -0.703 1.00 0.17 H new ATOM 0 HG22 VAL A 44 -1.420 -1.695 0.046 1.00 0.17 H new ATOM 0 HG23 VAL A 44 -2.465 -1.801 -1.391 1.00 0.17 H new ATOM 719 N GLU A 45 -5.466 -2.996 -0.983 1.00 0.13 N ATOM 720 CA GLU A 45 -6.076 -3.539 -2.184 1.00 0.16 C ATOM 721 C GLU A 45 -6.421 -2.418 -3.165 1.00 0.16 C ATOM 722 O GLU A 45 -7.019 -1.410 -2.783 1.00 0.18 O ATOM 723 CB GLU A 45 -7.348 -4.316 -1.829 1.00 0.27 C ATOM 724 CG GLU A 45 -8.035 -4.940 -3.034 1.00 0.40 C ATOM 725 CD GLU A 45 -9.455 -5.377 -2.741 1.00 0.77 C ATOM 726 OE1 GLU A 45 -9.634 -6.425 -2.084 1.00 0.93 O ATOM 727 OE2 GLU A 45 -10.396 -4.678 -3.173 1.00 1.35 O ATOM 0 H GLU A 45 -5.976 -2.214 -0.573 1.00 0.13 H new ATOM 0 HA GLU A 45 -5.360 -4.214 -2.653 1.00 0.16 H new ATOM 0 HB2 GLU A 45 -7.097 -5.102 -1.117 1.00 0.27 H new ATOM 0 HB3 GLU A 45 -8.047 -3.645 -1.330 1.00 0.27 H new ATOM 0 HG2 GLU A 45 -8.043 -4.222 -3.854 1.00 0.40 H new ATOM 0 HG3 GLU A 45 -7.457 -5.801 -3.370 1.00 0.40 H new ATOM 734 N VAL A 46 -6.023 -2.596 -4.420 1.00 0.18 N ATOM 735 CA VAL A 46 -6.309 -1.629 -5.476 1.00 0.21 C ATOM 736 C VAL A 46 -7.099 -2.300 -6.566 1.00 0.24 C ATOM 737 O VAL A 46 -6.593 -3.226 -7.178 1.00 0.25 O ATOM 738 CB VAL A 46 -5.053 -1.051 -6.153 1.00 0.21 C ATOM 739 CG1 VAL A 46 -4.969 0.449 -5.954 1.00 0.23 C ATOM 740 CG2 VAL A 46 -3.800 -1.760 -5.685 1.00 0.26 C ATOM 0 H VAL A 46 -5.495 -3.410 -4.734 1.00 0.18 H new ATOM 0 HA VAL A 46 -6.848 -0.817 -4.987 1.00 0.21 H new ATOM 0 HB VAL A 46 -5.135 -1.229 -7.225 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -4.073 0.831 -6.442 1.00 0.23 H new ATOM 0 HG12 VAL A 46 -5.849 0.923 -6.388 1.00 0.23 H new ATOM 0 HG13 VAL A 46 -4.925 0.673 -4.888 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -2.931 -1.329 -6.182 1.00 0.26 H new ATOM 0 HG22 VAL A 46 -3.697 -1.643 -4.606 1.00 0.26 H new ATOM 0 HG23 VAL A 46 -3.869 -2.820 -5.930 1.00 0.26 H new ATOM 750 N ASN A 47 -8.318 -1.825 -6.782 1.00 0.31 N ATOM 751 CA ASN A 47 -9.247 -2.323 -7.809 1.00 0.40 C ATOM 752 C ASN A 47 -9.639 -3.783 -7.588 1.00 0.46 C ATOM 753 O ASN A 47 -10.816 -4.112 -7.445 1.00 0.94 O ATOM 754 CB ASN A 47 -8.712 -2.077 -9.251 1.00 0.46 C ATOM 755 CG ASN A 47 -7.562 -2.964 -9.739 1.00 0.92 C ATOM 756 OD1 ASN A 47 -7.773 -4.116 -10.124 1.00 1.69 O ATOM 757 ND2 ASN A 47 -6.345 -2.431 -9.780 1.00 0.88 N ATOM 0 H ASN A 47 -8.708 -1.058 -6.234 1.00 0.31 H new ATOM 0 HA ASN A 47 -10.161 -1.738 -7.703 1.00 0.40 H new ATOM 0 HB2 ASN A 47 -9.545 -2.195 -9.944 1.00 0.46 H new ATOM 0 HB3 ASN A 47 -8.387 -1.039 -9.317 1.00 0.46 H new ATOM 0 HD21 ASN A 47 -5.561 -2.977 -10.136 1.00 0.88 H new ATOM 0 HD22 ASN A 47 -6.196 -1.476 -9.456 1.00 0.88 H new ATOM 764 N ASP A 48 -8.641 -4.622 -7.545 1.00 0.33 N ATOM 765 CA ASP A 48 -8.805 -6.063 -7.342 1.00 0.32 C ATOM 766 C ASP A 48 -7.481 -6.708 -6.940 1.00 0.28 C ATOM 767 O ASP A 48 -7.431 -7.872 -6.544 1.00 0.33 O ATOM 768 CB ASP A 48 -9.317 -6.728 -8.624 1.00 0.38 C ATOM 769 CG ASP A 48 -9.638 -8.197 -8.435 1.00 0.47 C ATOM 770 OD1 ASP A 48 -10.582 -8.518 -7.686 1.00 0.62 O ATOM 771 OD2 ASP A 48 -8.941 -9.042 -9.037 1.00 0.52 O ATOM 0 H ASP A 48 -7.668 -4.334 -7.650 1.00 0.33 H new ATOM 0 HA ASP A 48 -9.531 -6.206 -6.541 1.00 0.32 H new ATOM 0 HB2 ASP A 48 -10.211 -6.207 -8.966 1.00 0.38 H new ATOM 0 HB3 ASP A 48 -8.567 -6.623 -9.407 1.00 0.38 H new ATOM 776 N ARG A 49 -6.411 -5.934 -7.014 1.00 0.23 N ATOM 777 CA ARG A 49 -5.079 -6.423 -6.692 1.00 0.21 C ATOM 778 C ARG A 49 -4.792 -6.235 -5.213 1.00 0.19 C ATOM 779 O ARG A 49 -4.973 -5.144 -4.679 1.00 0.30 O ATOM 780 CB ARG A 49 -4.016 -5.683 -7.519 1.00 0.25 C ATOM 781 CG ARG A 49 -4.122 -5.880 -9.030 1.00 0.31 C ATOM 782 CD ARG A 49 -3.992 -7.341 -9.429 1.00 0.35 C ATOM 783 NE ARG A 49 -5.240 -8.089 -9.255 1.00 0.34 N ATOM 784 CZ ARG A 49 -5.288 -9.356 -8.846 1.00 0.46 C ATOM 785 NH1 ARG A 49 -4.162 -10.014 -8.591 1.00 0.64 N ATOM 786 NH2 ARG A 49 -6.453 -9.971 -8.698 1.00 0.51 N ATOM 0 H ARG A 49 -6.439 -4.955 -7.297 1.00 0.23 H new ATOM 0 HA ARG A 49 -5.040 -7.485 -6.934 1.00 0.21 H new ATOM 0 HB2 ARG A 49 -4.085 -4.617 -7.301 1.00 0.25 H new ATOM 0 HB3 ARG A 49 -3.029 -6.012 -7.193 1.00 0.25 H new ATOM 0 HG2 ARG A 49 -5.080 -5.494 -9.379 1.00 0.31 H new ATOM 0 HG3 ARG A 49 -3.344 -5.299 -9.526 1.00 0.31 H new ATOM 0 HD2 ARG A 49 -3.679 -7.402 -10.471 1.00 0.35 H new ATOM 0 HD3 ARG A 49 -3.208 -7.808 -8.833 1.00 0.35 H new ATOM 0 HE ARG A 49 -6.119 -7.614 -9.458 1.00 0.34 H new ATOM 0 HH11 ARG A 49 -3.262 -9.549 -8.708 1.00 0.64 H new ATOM 0 HH12 ARG A 49 -4.198 -10.984 -8.278 1.00 0.64 H new ATOM 0 HH21 ARG A 49 -7.321 -9.474 -8.898 1.00 0.51 H new ATOM 0 HH22 ARG A 49 -6.481 -10.941 -8.384 1.00 0.51 H new ATOM 800 N GLN A 50 -4.351 -7.292 -4.553 1.00 0.15 N ATOM 801 CA GLN A 50 -4.047 -7.219 -3.133 1.00 0.14 C ATOM 802 C GLN A 50 -2.561 -7.425 -2.889 1.00 0.12 C ATOM 803 O GLN A 50 -1.941 -8.318 -3.468 1.00 0.18 O ATOM 804 CB GLN A 50 -4.852 -8.260 -2.354 1.00 0.18 C ATOM 805 CG GLN A 50 -6.323 -7.906 -2.198 1.00 0.24 C ATOM 806 CD GLN A 50 -7.045 -8.826 -1.228 1.00 0.38 C ATOM 807 OE1 GLN A 50 -6.410 -9.533 -0.445 1.00 1.21 O ATOM 808 NE2 GLN A 50 -8.372 -8.786 -1.224 1.00 1.19 N ATOM 0 H GLN A 50 -4.196 -8.208 -4.975 1.00 0.15 H new ATOM 0 HA GLN A 50 -4.325 -6.225 -2.781 1.00 0.14 H new ATOM 0 HB2 GLN A 50 -4.771 -9.222 -2.860 1.00 0.18 H new ATOM 0 HB3 GLN A 50 -4.410 -8.382 -1.365 1.00 0.18 H new ATOM 0 HG2 GLN A 50 -6.410 -6.877 -1.850 1.00 0.24 H new ATOM 0 HG3 GLN A 50 -6.810 -7.956 -3.172 1.00 0.24 H new ATOM 0 HE21 GLN A 50 -8.866 -8.189 -1.887 1.00 1.19 H new ATOM 0 HE22 GLN A 50 -8.897 -9.352 -0.558 1.00 1.19 H new ATOM 817 N GLY A 51 -1.997 -6.596 -2.028 1.00 0.10 N ATOM 818 CA GLY A 51 -0.585 -6.702 -1.714 1.00 0.10 C ATOM 819 C GLY A 51 -0.096 -5.597 -0.811 1.00 0.09 C ATOM 820 O GLY A 51 -0.890 -4.840 -0.264 1.00 0.11 O ATOM 0 H GLY A 51 -2.490 -5.849 -1.539 1.00 0.10 H new ATOM 0 HA2 GLY A 51 -0.396 -7.664 -1.237 1.00 0.10 H new ATOM 0 HA3 GLY A 51 -0.011 -6.687 -2.640 1.00 0.10 H new ATOM 824 N PHE A 52 1.209 -5.513 -0.650 1.00 0.09 N ATOM 825 CA PHE A 52 1.807 -4.542 0.246 1.00 0.09 C ATOM 826 C PHE A 52 2.380 -3.327 -0.469 1.00 0.09 C ATOM 827 O PHE A 52 2.826 -3.406 -1.616 1.00 0.09 O ATOM 828 CB PHE A 52 2.913 -5.217 1.049 1.00 0.11 C ATOM 829 CG PHE A 52 2.408 -6.211 2.053 1.00 0.12 C ATOM 830 CD1 PHE A 52 1.913 -7.440 1.645 1.00 0.16 C ATOM 831 CD2 PHE A 52 2.434 -5.914 3.407 1.00 0.14 C ATOM 832 CE1 PHE A 52 1.450 -8.354 2.574 1.00 0.19 C ATOM 833 CE2 PHE A 52 1.974 -6.821 4.339 1.00 0.16 C ATOM 834 CZ PHE A 52 1.480 -8.045 3.922 1.00 0.19 C ATOM 0 H PHE A 52 1.881 -6.110 -1.132 1.00 0.09 H new ATOM 0 HA PHE A 52 1.010 -4.179 0.894 1.00 0.09 H new ATOM 0 HB2 PHE A 52 3.593 -5.721 0.362 1.00 0.11 H new ATOM 0 HB3 PHE A 52 3.492 -4.453 1.567 1.00 0.11 H new ATOM 0 HD1 PHE A 52 1.889 -7.686 0.594 1.00 0.16 H new ATOM 0 HD2 PHE A 52 2.819 -4.960 3.736 1.00 0.14 H new ATOM 0 HE1 PHE A 52 1.065 -9.309 2.247 1.00 0.19 H new ATOM 0 HE2 PHE A 52 1.999 -6.577 5.391 1.00 0.16 H new ATOM 0 HZ PHE A 52 1.118 -8.758 4.648 1.00 0.19 H new ATOM 844 N VAL A 53 2.334 -2.200 0.231 1.00 0.10 N ATOM 845 CA VAL A 53 2.875 -0.938 -0.248 1.00 0.10 C ATOM 846 C VAL A 53 3.547 -0.211 0.910 1.00 0.10 C ATOM 847 O VAL A 53 3.272 -0.504 2.076 1.00 0.10 O ATOM 848 CB VAL A 53 1.785 -0.009 -0.828 1.00 0.11 C ATOM 849 CG1 VAL A 53 1.037 -0.687 -1.951 1.00 0.12 C ATOM 850 CG2 VAL A 53 0.824 0.443 0.261 1.00 0.11 C ATOM 0 H VAL A 53 1.914 -2.138 1.159 1.00 0.10 H new ATOM 0 HA VAL A 53 3.583 -1.172 -1.043 1.00 0.10 H new ATOM 0 HB VAL A 53 2.279 0.873 -1.235 1.00 0.11 H new ATOM 0 HG11 VAL A 53 0.276 -0.011 -2.341 1.00 0.12 H new ATOM 0 HG12 VAL A 53 1.734 -0.947 -2.748 1.00 0.12 H new ATOM 0 HG13 VAL A 53 0.560 -1.593 -1.576 1.00 0.12 H new ATOM 0 HG21 VAL A 53 0.066 1.096 -0.171 1.00 0.11 H new ATOM 0 HG22 VAL A 53 0.342 -0.428 0.706 1.00 0.11 H new ATOM 0 HG23 VAL A 53 1.374 0.985 1.030 1.00 0.11 H new ATOM 860 N PRO A 54 4.457 0.721 0.616 1.00 0.10 N ATOM 861 CA PRO A 54 5.127 1.508 1.646 1.00 0.11 C ATOM 862 C PRO A 54 4.122 2.310 2.466 1.00 0.10 C ATOM 863 O PRO A 54 3.313 3.053 1.910 1.00 0.10 O ATOM 864 CB PRO A 54 6.019 2.458 0.846 1.00 0.11 C ATOM 865 CG PRO A 54 6.222 1.774 -0.457 1.00 0.12 C ATOM 866 CD PRO A 54 4.932 1.060 -0.732 1.00 0.12 C ATOM 0 HA PRO A 54 5.675 0.886 2.354 1.00 0.11 H new ATOM 0 HB2 PRO A 54 5.544 3.430 0.714 1.00 0.11 H new ATOM 0 HB3 PRO A 54 6.967 2.633 1.354 1.00 0.11 H new ATOM 0 HG2 PRO A 54 6.452 2.490 -1.246 1.00 0.12 H new ATOM 0 HG3 PRO A 54 7.057 1.075 -0.409 1.00 0.12 H new ATOM 0 HD2 PRO A 54 4.223 1.695 -1.263 1.00 0.12 H new ATOM 0 HD3 PRO A 54 5.084 0.171 -1.343 1.00 0.12 H new ATOM 874 N ALA A 55 4.169 2.158 3.780 1.00 0.11 N ATOM 875 CA ALA A 55 3.260 2.873 4.666 1.00 0.11 C ATOM 876 C ALA A 55 3.488 4.379 4.570 1.00 0.12 C ATOM 877 O ALA A 55 2.597 5.177 4.865 1.00 0.16 O ATOM 878 CB ALA A 55 3.445 2.405 6.094 1.00 0.12 C ATOM 0 H ALA A 55 4.828 1.545 4.259 1.00 0.11 H new ATOM 0 HA ALA A 55 2.237 2.660 4.355 1.00 0.11 H new ATOM 0 HB1 ALA A 55 2.760 2.947 6.746 1.00 0.12 H new ATOM 0 HB2 ALA A 55 3.237 1.337 6.157 1.00 0.12 H new ATOM 0 HB3 ALA A 55 4.471 2.594 6.409 1.00 0.12 H new ATOM 884 N ALA A 56 4.690 4.757 4.147 1.00 0.12 N ATOM 885 CA ALA A 56 5.050 6.161 3.995 1.00 0.15 C ATOM 886 C ALA A 56 4.491 6.724 2.694 1.00 0.14 C ATOM 887 O ALA A 56 4.587 7.920 2.425 1.00 0.17 O ATOM 888 CB ALA A 56 6.562 6.317 4.021 1.00 0.17 C ATOM 0 H ALA A 56 5.435 4.105 3.902 1.00 0.12 H new ATOM 0 HA ALA A 56 4.618 6.719 4.826 1.00 0.15 H new ATOM 0 HB1 ALA A 56 6.821 7.370 3.907 1.00 0.17 H new ATOM 0 HB2 ALA A 56 6.949 5.949 4.971 1.00 0.17 H new ATOM 0 HB3 ALA A 56 7.001 5.744 3.204 1.00 0.17 H new ATOM 894 N TYR A 57 3.899 5.847 1.898 1.00 0.12 N ATOM 895 CA TYR A 57 3.323 6.241 0.615 1.00 0.12 C ATOM 896 C TYR A 57 1.816 6.297 0.728 1.00 0.12 C ATOM 897 O TYR A 57 1.117 6.525 -0.255 1.00 0.13 O ATOM 898 CB TYR A 57 3.691 5.241 -0.488 1.00 0.11 C ATOM 899 CG TYR A 57 5.079 5.408 -1.059 1.00 0.12 C ATOM 900 CD1 TYR A 57 6.193 5.471 -0.233 1.00 0.13 C ATOM 901 CD2 TYR A 57 5.273 5.491 -2.431 1.00 0.12 C ATOM 902 CE1 TYR A 57 7.457 5.613 -0.756 1.00 0.14 C ATOM 903 CE2 TYR A 57 6.537 5.630 -2.963 1.00 0.14 C ATOM 904 CZ TYR A 57 7.627 5.691 -2.120 1.00 0.14 C ATOM 905 OH TYR A 57 8.890 5.825 -2.642 1.00 0.17 O ATOM 0 H TYR A 57 3.803 4.855 2.116 1.00 0.12 H new ATOM 0 HA TYR A 57 3.724 7.221 0.356 1.00 0.12 H new ATOM 0 HB2 TYR A 57 3.597 4.231 -0.089 1.00 0.11 H new ATOM 0 HB3 TYR A 57 2.967 5.333 -1.298 1.00 0.11 H new ATOM 0 HD1 TYR A 57 6.065 5.407 0.838 1.00 0.13 H new ATOM 0 HD2 TYR A 57 4.420 5.446 -3.092 1.00 0.12 H new ATOM 0 HE1 TYR A 57 8.313 5.663 -0.099 1.00 0.14 H new ATOM 0 HE2 TYR A 57 6.673 5.691 -4.033 1.00 0.14 H new ATOM 0 HH TYR A 57 9.545 5.456 -2.013 1.00 0.17 H new ATOM 915 N VAL A 58 1.324 6.102 1.937 1.00 0.13 N ATOM 916 CA VAL A 58 -0.101 6.081 2.177 1.00 0.13 C ATOM 917 C VAL A 58 -0.469 6.867 3.441 1.00 0.16 C ATOM 918 O VAL A 58 0.335 6.991 4.366 1.00 0.19 O ATOM 919 CB VAL A 58 -0.572 4.612 2.255 1.00 0.13 C ATOM 920 CG1 VAL A 58 -1.241 4.293 3.573 1.00 0.16 C ATOM 921 CG2 VAL A 58 -1.486 4.278 1.089 1.00 0.12 C ATOM 0 H VAL A 58 1.895 5.956 2.769 1.00 0.13 H new ATOM 0 HA VAL A 58 -0.614 6.574 1.352 1.00 0.13 H new ATOM 0 HB VAL A 58 0.318 3.986 2.191 1.00 0.13 H new ATOM 0 HG11 VAL A 58 -1.554 3.249 3.579 1.00 0.16 H new ATOM 0 HG12 VAL A 58 -0.539 4.466 4.389 1.00 0.16 H new ATOM 0 HG13 VAL A 58 -2.113 4.934 3.703 1.00 0.16 H new ATOM 0 HG21 VAL A 58 -1.806 3.239 1.164 1.00 0.12 H new ATOM 0 HG22 VAL A 58 -2.360 4.929 1.113 1.00 0.12 H new ATOM 0 HG23 VAL A 58 -0.949 4.426 0.152 1.00 0.12 H new ATOM 931 N LYS A 59 -1.677 7.424 3.448 1.00 0.16 N ATOM 932 CA LYS A 59 -2.166 8.203 4.579 1.00 0.21 C ATOM 933 C LYS A 59 -3.585 7.786 4.963 1.00 0.17 C ATOM 934 O LYS A 59 -4.441 7.612 4.094 1.00 0.16 O ATOM 935 CB LYS A 59 -2.144 9.694 4.221 1.00 0.28 C ATOM 936 CG LYS A 59 -2.928 10.584 5.173 1.00 0.25 C ATOM 937 CD LYS A 59 -3.618 11.713 4.423 1.00 0.43 C ATOM 938 CE LYS A 59 -5.128 11.523 4.388 1.00 0.29 C ATOM 939 NZ LYS A 59 -5.774 12.013 5.633 1.00 0.53 N ATOM 0 H LYS A 59 -2.339 7.348 2.676 1.00 0.16 H new ATOM 0 HA LYS A 59 -1.514 8.017 5.433 1.00 0.21 H new ATOM 0 HB2 LYS A 59 -1.108 10.033 4.197 1.00 0.28 H new ATOM 0 HB3 LYS A 59 -2.544 9.819 3.215 1.00 0.28 H new ATOM 0 HG2 LYS A 59 -3.671 9.989 5.704 1.00 0.25 H new ATOM 0 HG3 LYS A 59 -2.256 10.999 5.924 1.00 0.25 H new ATOM 0 HD2 LYS A 59 -3.382 12.665 4.899 1.00 0.43 H new ATOM 0 HD3 LYS A 59 -3.233 11.762 3.404 1.00 0.43 H new ATOM 0 HE2 LYS A 59 -5.542 12.054 3.531 1.00 0.29 H new ATOM 0 HE3 LYS A 59 -5.358 10.467 4.250 1.00 0.29 H new ATOM 0 HZ1 LYS A 59 -6.645 12.528 5.393 1.00 0.53 H new ATOM 0 HZ2 LYS A 59 -6.007 11.205 6.245 1.00 0.53 H new ATOM 0 HZ3 LYS A 59 -5.123 12.650 6.135 1.00 0.53 H new ATOM 953 N LYS A 60 -3.818 7.620 6.263 1.00 0.18 N ATOM 954 CA LYS A 60 -5.143 7.247 6.784 1.00 0.18 C ATOM 955 C LYS A 60 -6.192 8.271 6.360 1.00 0.20 C ATOM 956 O LYS A 60 -6.098 9.445 6.722 1.00 0.25 O ATOM 957 CB LYS A 60 -5.164 7.196 8.329 1.00 0.20 C ATOM 958 CG LYS A 60 -5.271 5.820 8.975 1.00 0.59 C ATOM 959 CD LYS A 60 -4.141 4.897 8.598 1.00 0.19 C ATOM 960 CE LYS A 60 -3.805 3.936 9.763 1.00 0.35 C ATOM 961 NZ LYS A 60 -5.007 3.602 10.578 1.00 0.84 N ATOM 0 H LYS A 60 -3.106 7.737 6.983 1.00 0.18 H new ATOM 0 HA LYS A 60 -5.364 6.260 6.377 1.00 0.18 H new ATOM 0 HB2 LYS A 60 -4.255 7.673 8.696 1.00 0.20 H new ATOM 0 HB3 LYS A 60 -6.003 7.799 8.676 1.00 0.20 H new ATOM 0 HG2 LYS A 60 -5.291 5.935 10.059 1.00 0.59 H new ATOM 0 HG3 LYS A 60 -6.217 5.363 8.686 1.00 0.59 H new ATOM 0 HD2 LYS A 60 -4.415 4.322 7.714 1.00 0.19 H new ATOM 0 HD3 LYS A 60 -3.259 5.482 8.337 1.00 0.19 H new ATOM 0 HE2 LYS A 60 -3.373 3.019 9.363 1.00 0.35 H new ATOM 0 HE3 LYS A 60 -3.049 4.392 10.402 1.00 0.35 H new ATOM 0 HZ1 LYS A 60 -4.838 2.719 11.100 1.00 0.84 H new ATOM 0 HZ2 LYS A 60 -5.195 4.372 11.252 1.00 0.84 H new ATOM 0 HZ3 LYS A 60 -5.829 3.482 9.952 1.00 0.84 H new ATOM 975 N LEU A 61 -7.174 7.839 5.584 1.00 0.22 N ATOM 976 CA LEU A 61 -8.256 8.731 5.166 1.00 0.27 C ATOM 977 C LEU A 61 -9.347 8.743 6.226 1.00 0.42 C ATOM 978 O LEU A 61 -10.227 9.603 6.231 1.00 0.54 O ATOM 979 CB LEU A 61 -8.864 8.282 3.839 1.00 0.24 C ATOM 980 CG LEU A 61 -8.021 8.531 2.595 1.00 0.21 C ATOM 981 CD1 LEU A 61 -8.586 7.732 1.439 1.00 0.24 C ATOM 982 CD2 LEU A 61 -7.990 10.011 2.241 1.00 0.26 C ATOM 0 H LEU A 61 -7.249 6.885 5.231 1.00 0.22 H new ATOM 0 HA LEU A 61 -7.837 9.729 5.039 1.00 0.27 H new ATOM 0 HB2 LEU A 61 -9.074 7.214 3.902 1.00 0.24 H new ATOM 0 HB3 LEU A 61 -9.821 8.788 3.712 1.00 0.24 H new ATOM 0 HG LEU A 61 -6.998 8.213 2.797 1.00 0.21 H new ATOM 0 HD11 LEU A 61 -7.985 7.908 0.547 1.00 0.24 H new ATOM 0 HD12 LEU A 61 -8.566 6.671 1.686 1.00 0.24 H new ATOM 0 HD13 LEU A 61 -9.614 8.042 1.251 1.00 0.24 H new ATOM 0 HD21 LEU A 61 -7.381 10.159 1.349 1.00 0.26 H new ATOM 0 HD22 LEU A 61 -9.005 10.361 2.050 1.00 0.26 H new ATOM 0 HD23 LEU A 61 -7.562 10.575 3.070 1.00 0.26 H new ATOM 994 N ASP A 62 -9.271 7.770 7.115 1.00 0.47 N ATOM 995 CA ASP A 62 -10.237 7.614 8.192 1.00 0.63 C ATOM 996 C ASP A 62 -9.657 8.133 9.498 1.00 1.06 C ATOM 997 O ASP A 62 -8.869 7.400 10.138 1.00 1.65 O ATOM 998 CB ASP A 62 -10.632 6.139 8.334 1.00 1.20 C ATOM 999 CG ASP A 62 -11.873 5.942 9.178 1.00 1.64 C ATOM 1000 OD1 ASP A 62 -12.971 6.323 8.729 1.00 1.72 O ATOM 1001 OD2 ASP A 62 -11.753 5.417 10.308 1.00 2.41 O ATOM 1002 OXT ASP A 62 -9.974 9.279 9.877 1.00 1.83 O ATOM 0 H ASP A 62 -8.536 7.062 7.112 1.00 0.47 H new ATOM 0 HA ASP A 62 -11.128 8.194 7.953 1.00 0.63 H new ATOM 0 HB2 ASP A 62 -10.801 5.716 7.344 1.00 1.20 H new ATOM 0 HB3 ASP A 62 -9.804 5.587 8.779 1.00 1.20 H new TER 1007 ASP A 62 HETATM 1008 C ACE B 0 4.876 -10.874 3.139 1.00 0.52 C HETATM 1009 O ACE B 0 5.664 -11.474 3.872 1.00 1.02 O HETATM 1010 CH3 ACE B 0 4.277 -11.560 1.946 1.00 0.57 C HETATM 0 H1 ACE B 0 3.192 -11.578 2.044 1.00 0.57 H new HETATM 0 H2 ACE B 0 4.551 -11.019 1.040 1.00 0.57 H new HETATM 0 H3 ACE B 0 4.653 -12.581 1.887 1.00 0.57 H new ATOM 1014 N ALA B 1 4.507 -9.608 3.331 1.00 0.54 N ATOM 1015 CA ALA B 1 4.993 -8.802 4.452 1.00 0.46 C ATOM 1016 C ALA B 1 6.510 -8.619 4.404 1.00 0.42 C ATOM 1017 O ALA B 1 7.261 -9.381 5.019 1.00 0.44 O ATOM 1018 CB ALA B 1 4.566 -9.413 5.780 1.00 0.60 C ATOM 0 H ALA B 1 3.863 -9.112 2.715 1.00 0.54 H new ATOM 0 HA ALA B 1 4.542 -7.814 4.363 1.00 0.46 H new ATOM 0 HB1 ALA B 1 4.938 -8.798 6.600 1.00 0.60 H new ATOM 0 HB2 ALA B 1 3.478 -9.460 5.826 1.00 0.60 H new ATOM 0 HB3 ALA B 1 4.976 -10.419 5.866 1.00 0.60 H new ATOM 1024 N PRO B 2 6.977 -7.603 3.662 1.00 0.45 N ATOM 1025 CA PRO B 2 8.404 -7.306 3.529 1.00 0.49 C ATOM 1026 C PRO B 2 9.017 -6.825 4.843 1.00 0.52 C ATOM 1027 O PRO B 2 8.473 -5.947 5.512 1.00 0.56 O ATOM 1028 CB PRO B 2 8.451 -6.190 2.475 1.00 0.54 C ATOM 1029 CG PRO B 2 7.104 -6.190 1.835 1.00 0.54 C ATOM 1030 CD PRO B 2 6.153 -6.663 2.890 1.00 0.50 C ATOM 0 HA PRO B 2 8.977 -8.190 3.250 1.00 0.49 H new ATOM 0 HB2 PRO B 2 8.667 -5.225 2.934 1.00 0.54 H new ATOM 0 HB3 PRO B 2 9.235 -6.376 1.741 1.00 0.54 H new ATOM 0 HG2 PRO B 2 6.837 -5.193 1.486 1.00 0.54 H new ATOM 0 HG3 PRO B 2 7.084 -6.848 0.966 1.00 0.54 H new ATOM 0 HD2 PRO B 2 5.789 -5.841 3.507 1.00 0.50 H new ATOM 0 HD3 PRO B 2 5.278 -7.150 2.459 1.00 0.50 H new ATOM 1038 N SER B 3 10.150 -7.404 5.205 1.00 0.58 N ATOM 1039 CA SER B 3 10.834 -7.041 6.436 1.00 0.65 C ATOM 1040 C SER B 3 12.113 -6.262 6.135 1.00 0.60 C ATOM 1041 O SER B 3 13.188 -6.579 6.647 1.00 0.80 O ATOM 1042 CB SER B 3 11.152 -8.300 7.243 1.00 0.81 C ATOM 1043 OG SER B 3 9.997 -9.115 7.384 1.00 0.95 O ATOM 0 H SER B 3 10.617 -8.130 4.662 1.00 0.58 H new ATOM 0 HA SER B 3 10.178 -6.399 7.024 1.00 0.65 H new ATOM 0 HB2 SER B 3 11.942 -8.864 6.748 1.00 0.81 H new ATOM 0 HB3 SER B 3 11.528 -8.021 8.227 1.00 0.81 H new ATOM 0 HG SER B 3 10.223 -9.916 7.902 1.00 0.95 H new ATOM 1049 N TYR B 4 11.989 -5.239 5.300 1.00 0.49 N ATOM 1050 CA TYR B 4 13.123 -4.411 4.936 1.00 0.47 C ATOM 1051 C TYR B 4 12.665 -2.982 4.690 1.00 0.40 C ATOM 1052 O TYR B 4 11.465 -2.716 4.603 1.00 0.41 O ATOM 1053 CB TYR B 4 13.858 -4.971 3.709 1.00 0.51 C ATOM 1054 CG TYR B 4 12.966 -5.317 2.537 1.00 0.50 C ATOM 1055 CD1 TYR B 4 12.509 -4.333 1.672 1.00 0.48 C ATOM 1056 CD2 TYR B 4 12.591 -6.633 2.291 1.00 0.59 C ATOM 1057 CE1 TYR B 4 11.706 -4.647 0.596 1.00 0.52 C ATOM 1058 CE2 TYR B 4 11.784 -6.955 1.215 1.00 0.63 C ATOM 1059 CZ TYR B 4 11.345 -5.957 0.372 1.00 0.59 C ATOM 1060 OH TYR B 4 10.544 -6.268 -0.702 1.00 0.67 O ATOM 0 H TYR B 4 11.109 -4.965 4.862 1.00 0.49 H new ATOM 0 HA TYR B 4 13.830 -4.416 5.766 1.00 0.47 H new ATOM 0 HB2 TYR B 4 14.597 -4.240 3.381 1.00 0.51 H new ATOM 0 HB3 TYR B 4 14.405 -5.865 4.008 1.00 0.51 H new ATOM 0 HD1 TYR B 4 12.787 -3.304 1.844 1.00 0.48 H new ATOM 0 HD2 TYR B 4 12.935 -7.416 2.950 1.00 0.59 H new ATOM 0 HE1 TYR B 4 11.361 -3.869 -0.069 1.00 0.52 H new ATOM 0 HE2 TYR B 4 11.500 -7.982 1.037 1.00 0.63 H new ATOM 0 HH TYR B 4 10.382 -7.234 -0.720 1.00 0.67 H new ATOM 1070 N SER B 5 13.621 -2.078 4.578 1.00 0.45 N ATOM 1071 CA SER B 5 13.334 -0.667 4.360 1.00 0.46 C ATOM 1072 C SER B 5 12.656 -0.421 3.012 1.00 0.33 C ATOM 1073 O SER B 5 13.138 -0.873 1.967 1.00 0.41 O ATOM 1074 CB SER B 5 14.631 0.131 4.441 1.00 0.67 C ATOM 1075 OG SER B 5 15.441 -0.329 5.514 1.00 0.90 O ATOM 0 H SER B 5 14.616 -2.297 4.635 1.00 0.45 H new ATOM 0 HA SER B 5 12.643 -0.341 5.137 1.00 0.46 H new ATOM 0 HB2 SER B 5 15.178 0.041 3.502 1.00 0.67 H new ATOM 0 HB3 SER B 5 14.405 1.188 4.578 1.00 0.67 H new ATOM 0 HG SER B 5 16.269 0.195 5.547 1.00 0.90 H new ATOM 1081 N PRO B 6 11.517 0.286 3.028 1.00 0.27 N ATOM 1082 CA PRO B 6 10.772 0.616 1.813 1.00 0.25 C ATOM 1083 C PRO B 6 11.496 1.670 0.976 1.00 0.23 C ATOM 1084 O PRO B 6 12.399 2.346 1.472 1.00 0.29 O ATOM 1085 CB PRO B 6 9.446 1.167 2.350 1.00 0.38 C ATOM 1086 CG PRO B 6 9.777 1.700 3.699 1.00 0.50 C ATOM 1087 CD PRO B 6 10.861 0.813 4.241 1.00 0.44 C ATOM 0 HA PRO B 6 10.649 -0.243 1.153 1.00 0.25 H new ATOM 0 HB2 PRO B 6 9.050 1.949 1.702 1.00 0.38 H new ATOM 0 HB3 PRO B 6 8.687 0.387 2.408 1.00 0.38 H new ATOM 0 HG2 PRO B 6 10.114 2.735 3.638 1.00 0.50 H new ATOM 0 HG3 PRO B 6 8.902 1.688 4.349 1.00 0.50 H new ATOM 0 HD2 PRO B 6 11.560 1.370 4.865 1.00 0.44 H new ATOM 0 HD3 PRO B 6 10.453 0.011 4.857 1.00 0.44 H new ATOM 1095 N PRO B 7 11.127 1.813 -0.307 1.00 0.31 N ATOM 1096 CA PRO B 7 11.752 2.793 -1.200 1.00 0.38 C ATOM 1097 C PRO B 7 11.557 4.228 -0.711 1.00 0.30 C ATOM 1098 O PRO B 7 10.437 4.630 -0.381 1.00 0.32 O ATOM 1099 CB PRO B 7 11.034 2.577 -2.540 1.00 0.54 C ATOM 1100 CG PRO B 7 9.767 1.874 -2.193 1.00 0.61 C ATOM 1101 CD PRO B 7 10.082 1.033 -0.992 1.00 0.47 C ATOM 0 HA PRO B 7 12.832 2.656 -1.260 1.00 0.38 H new ATOM 0 HB2 PRO B 7 10.835 3.526 -3.038 1.00 0.54 H new ATOM 0 HB3 PRO B 7 11.642 1.981 -3.221 1.00 0.54 H new ATOM 0 HG2 PRO B 7 8.972 2.587 -1.974 1.00 0.61 H new ATOM 0 HG3 PRO B 7 9.422 1.257 -3.023 1.00 0.61 H new ATOM 0 HD2 PRO B 7 9.206 0.888 -0.359 1.00 0.47 H new ATOM 0 HD3 PRO B 7 10.438 0.042 -1.275 1.00 0.47 H new ATOM 1109 N PRO B 8 12.650 5.008 -0.638 1.00 0.36 N ATOM 1110 CA PRO B 8 12.612 6.404 -0.188 1.00 0.40 C ATOM 1111 C PRO B 8 11.576 7.229 -0.948 1.00 0.37 C ATOM 1112 O PRO B 8 11.602 7.286 -2.179 1.00 0.43 O ATOM 1113 CB PRO B 8 14.028 6.929 -0.481 1.00 0.56 C ATOM 1114 CG PRO B 8 14.678 5.887 -1.332 1.00 0.67 C ATOM 1115 CD PRO B 8 14.013 4.589 -0.983 1.00 0.53 C ATOM 0 HA PRO B 8 12.329 6.478 0.862 1.00 0.40 H new ATOM 0 HB2 PRO B 8 13.991 7.888 -0.997 1.00 0.56 H new ATOM 0 HB3 PRO B 8 14.586 7.085 0.442 1.00 0.56 H new ATOM 0 HG2 PRO B 8 14.554 6.116 -2.391 1.00 0.67 H new ATOM 0 HG3 PRO B 8 15.750 5.840 -1.139 1.00 0.67 H new ATOM 0 HD2 PRO B 8 14.022 3.891 -1.820 1.00 0.53 H new ATOM 0 HD3 PRO B 8 14.507 4.092 -0.148 1.00 0.53 H new ATOM 1123 N PRO B 9 10.642 7.864 -0.219 1.00 0.45 N ATOM 1124 CA PRO B 9 9.582 8.685 -0.815 1.00 0.57 C ATOM 1125 C PRO B 9 10.131 9.823 -1.672 1.00 0.65 C ATOM 1126 O PRO B 9 10.846 10.699 -1.179 1.00 0.72 O ATOM 1127 CB PRO B 9 8.830 9.245 0.400 1.00 0.74 C ATOM 1128 CG PRO B 9 9.154 8.314 1.516 1.00 0.76 C ATOM 1129 CD PRO B 9 10.550 7.829 1.250 1.00 0.57 C ATOM 0 HA PRO B 9 8.955 8.102 -1.489 1.00 0.57 H new ATOM 0 HB2 PRO B 9 9.150 10.262 0.628 1.00 0.74 H new ATOM 0 HB3 PRO B 9 7.756 9.283 0.217 1.00 0.74 H new ATOM 0 HG2 PRO B 9 9.093 8.821 2.479 1.00 0.76 H new ATOM 0 HG3 PRO B 9 8.450 7.482 1.549 1.00 0.76 H new ATOM 0 HD2 PRO B 9 11.296 8.473 1.716 1.00 0.57 H new ATOM 0 HD3 PRO B 9 10.708 6.824 1.640 1.00 0.57 H new ATOM 1137 N PRO B 10 9.815 9.816 -2.974 1.00 0.79 N ATOM 1138 CA PRO B 10 10.259 10.835 -3.910 1.00 0.99 C ATOM 1139 C PRO B 10 9.338 12.050 -3.894 1.00 1.14 C ATOM 1140 O PRO B 10 9.662 13.038 -3.202 1.00 1.49 O ATOM 1141 CB PRO B 10 10.198 10.129 -5.276 1.00 1.20 C ATOM 1142 CG PRO B 10 9.632 8.764 -5.018 1.00 1.21 C ATOM 1143 CD PRO B 10 9.005 8.808 -3.653 1.00 0.89 C ATOM 1144 OXT PRO B 10 8.285 12.010 -4.566 1.00 1.75 O ATOM 0 HA PRO B 10 11.251 11.215 -3.666 1.00 0.99 H new ATOM 0 HB2 PRO B 10 9.571 10.685 -5.973 1.00 1.20 H new ATOM 0 HB3 PRO B 10 11.190 10.061 -5.723 1.00 1.20 H new ATOM 0 HG2 PRO B 10 8.893 8.502 -5.775 1.00 1.21 H new ATOM 0 HG3 PRO B 10 10.414 8.006 -5.060 1.00 1.21 H new ATOM 0 HD2 PRO B 10 7.954 9.092 -3.697 1.00 0.89 H new ATOM 0 HD3 PRO B 10 9.053 7.841 -3.151 1.00 0.89 H new TER 1152 PRO B 10