USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 888 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 Single : A 29 SER OG : rot 180:sc= -0.381 USER MOD Single : A 30 ASN :FLIP amide:sc= 0 F(o=-2,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= 1.19 (180deg=0.714) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 2.04 (180deg=1.93) USER MOD Single : A 41 MET CE :methyl 172:sc= -0.18 (180deg=-0.359) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.0229 (180deg=-0.308) USER MOD Single : A 46 ASN : amide:sc=-0.00397 K(o=-0.004,f=-0.98) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -72:sc= 1.19 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= -0.864 (180deg=-2.2!) USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0291) USER MOD Single : A 64 LYS NZ :NH3+ -133:sc= -1.04 (180deg=-3.13!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -172:sc=-0.00253 (180deg=-0.103) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= 1.23 (180deg=0.176) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0.47 (180deg=0.353) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= -0.0179 (180deg=-0.169) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= -1.74! (180deg=-2.73!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.1) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 1.06 (180deg=1.03) USER MOD Single : A 106 THR OG1 : rot 141:sc= -1.35 USER MOD Single : A 107 SER OG : rot 8:sc= 1.09 USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.04) USER MOD Single : A 116 LYS NZ :NH3+ 170:sc= -0.0177 (180deg=-0.14) USER MOD Single : A 119 SER OG : rot -83:sc= -1.08! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -4.261 13.136 -4.282 1.00 1.16 N ATOM 2 CA GLY A 22 -3.972 12.447 -3.003 1.00 1.05 C ATOM 3 C GLY A 22 -3.508 11.027 -3.234 1.00 0.87 C ATOM 4 O GLY A 22 -3.869 10.408 -4.236 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.206 12.997 -2.457 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -4.867 12.442 -2.380 1.00 1.05 H new ATOM 7 N LEU A 23 -2.721 10.500 -2.312 1.00 0.75 N ATOM 8 CA LEU A 23 -2.115 9.195 -2.503 1.00 0.62 C ATOM 9 C LEU A 23 -2.105 8.399 -1.200 1.00 0.51 C ATOM 10 O LEU A 23 -1.638 8.878 -0.163 1.00 0.59 O ATOM 11 CB LEU A 23 -0.690 9.384 -3.051 1.00 0.75 C ATOM 12 CG LEU A 23 0.048 8.129 -3.545 1.00 1.22 C ATOM 13 CD1 LEU A 23 0.534 7.261 -2.395 1.00 1.78 C ATOM 14 CD2 LEU A 23 -0.835 7.322 -4.481 1.00 1.91 C ATOM 0 H LEU A 23 -2.488 10.953 -1.428 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.703 8.623 -3.221 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.738 10.094 -3.877 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.086 9.844 -2.269 1.00 0.75 H new ATOM 0 HG LEU A 23 0.928 8.468 -4.092 1.00 1.22 H new ATOM 0 HD11 LEU A 23 1.049 6.386 -2.792 1.00 1.78 H new ATOM 0 HD12 LEU A 23 1.220 7.834 -1.771 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -0.318 6.939 -1.796 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -0.294 6.438 -4.819 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -1.739 7.015 -3.954 1.00 1.91 H new ATOM 0 HD23 LEU A 23 -1.107 7.933 -5.342 1.00 1.91 H new ATOM 26 N LEU A 24 -2.635 7.187 -1.269 1.00 0.40 N ATOM 27 CA LEU A 24 -2.587 6.248 -0.161 1.00 0.39 C ATOM 28 C LEU A 24 -1.887 4.982 -0.640 1.00 0.38 C ATOM 29 O LEU A 24 -2.063 4.575 -1.789 1.00 0.50 O ATOM 30 CB LEU A 24 -4.018 5.937 0.326 1.00 0.44 C ATOM 31 CG LEU A 24 -4.130 5.104 1.609 1.00 0.50 C ATOM 32 CD1 LEU A 24 -5.468 5.341 2.275 1.00 1.02 C ATOM 33 CD2 LEU A 24 -3.974 3.623 1.308 1.00 1.24 C ATOM 0 H LEU A 24 -3.111 6.827 -2.096 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.035 6.673 0.677 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.539 6.881 0.484 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.545 5.412 -0.471 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.330 5.415 2.281 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -5.533 4.743 3.184 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -5.567 6.397 2.527 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -6.269 5.054 1.594 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -4.057 3.053 2.233 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -4.755 3.308 0.616 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -2.997 3.444 0.858 1.00 1.24 H new ATOM 45 N VAL A 25 -1.086 4.367 0.219 1.00 0.37 N ATOM 46 CA VAL A 25 -0.364 3.169 -0.172 1.00 0.40 C ATOM 47 C VAL A 25 -0.595 2.013 0.807 1.00 0.42 C ATOM 48 O VAL A 25 -0.293 2.110 1.992 1.00 0.56 O ATOM 49 CB VAL A 25 1.155 3.445 -0.352 1.00 0.49 C ATOM 50 CG1 VAL A 25 1.722 4.260 0.794 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.932 2.146 -0.519 1.00 0.84 C ATOM 0 H VAL A 25 -0.922 4.674 1.178 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.766 2.866 -1.139 1.00 0.40 H new ATOM 0 HB VAL A 25 1.266 4.034 -1.262 1.00 0.49 H new ATOM 0 HG11 VAL A 25 2.786 4.430 0.628 1.00 0.95 H new ATOM 0 HG12 VAL A 25 1.206 5.218 0.849 1.00 0.95 H new ATOM 0 HG13 VAL A 25 1.583 3.718 1.730 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.992 2.369 -0.643 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.793 1.523 0.365 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.568 1.615 -1.398 1.00 0.84 H new ATOM 61 N LEU A 26 -1.151 0.922 0.295 1.00 0.46 N ATOM 62 CA LEU A 26 -1.338 -0.292 1.074 1.00 0.57 C ATOM 63 C LEU A 26 -0.156 -1.217 0.823 1.00 0.51 C ATOM 64 O LEU A 26 0.036 -1.685 -0.294 1.00 0.58 O ATOM 65 CB LEU A 26 -2.636 -1.007 0.662 1.00 0.75 C ATOM 66 CG LEU A 26 -3.920 -0.172 0.729 1.00 0.74 C ATOM 67 CD1 LEU A 26 -5.085 -0.935 0.117 1.00 1.17 C ATOM 68 CD2 LEU A 26 -4.247 0.214 2.160 1.00 1.00 C ATOM 0 H LEU A 26 -1.483 0.855 -0.667 1.00 0.46 H new ATOM 0 HA LEU A 26 -1.405 -0.032 2.130 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.517 -1.371 -0.358 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.763 -1.882 1.300 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.754 0.741 0.156 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.988 -0.327 0.173 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.864 -1.161 -0.926 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -5.239 -1.865 0.665 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -5.162 0.806 2.177 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -4.386 -0.687 2.757 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -3.428 0.801 2.575 1.00 1.00 H new ATOM 80 N ILE A 27 0.641 -1.475 1.840 1.00 0.50 N ATOM 81 CA ILE A 27 1.825 -2.295 1.665 1.00 0.49 C ATOM 82 C ILE A 27 1.853 -3.431 2.680 1.00 0.51 C ATOM 83 O ILE A 27 1.940 -3.205 3.888 1.00 0.72 O ATOM 84 CB ILE A 27 3.123 -1.452 1.762 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.361 -2.358 1.707 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.128 -0.600 3.026 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.674 -1.603 1.739 1.00 0.96 C ATOM 0 H ILE A 27 0.493 -1.133 2.789 1.00 0.50 H new ATOM 0 HA ILE A 27 1.779 -2.723 0.664 1.00 0.49 H new ATOM 0 HB ILE A 27 3.155 -0.778 0.906 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.330 -3.050 2.548 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.320 -2.958 0.798 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.049 -0.019 3.069 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.273 0.076 3.013 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.066 -1.247 3.901 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.502 -2.311 1.697 1.00 0.96 H new ATOM 0 HD12 ILE A 27 5.728 -0.930 0.883 1.00 0.96 H new ATOM 0 HD13 ILE A 27 5.738 -1.024 2.660 1.00 0.96 H new ATOM 99 N TRP A 28 1.758 -4.655 2.188 1.00 0.45 N ATOM 100 CA TRP A 28 1.817 -5.811 3.058 1.00 0.48 C ATOM 101 C TRP A 28 3.031 -6.657 2.706 1.00 0.48 C ATOM 102 O TRP A 28 3.025 -7.419 1.737 1.00 0.49 O ATOM 103 CB TRP A 28 0.534 -6.643 2.957 1.00 0.56 C ATOM 104 CG TRP A 28 0.327 -7.556 4.132 1.00 0.89 C ATOM 105 CD1 TRP A 28 -0.463 -7.317 5.220 1.00 1.53 C ATOM 106 CD2 TRP A 28 0.924 -8.843 4.345 1.00 1.15 C ATOM 107 NE1 TRP A 28 -0.395 -8.374 6.094 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.450 -9.323 5.580 1.00 1.83 C ATOM 109 CE3 TRP A 28 1.813 -9.637 3.612 1.00 1.19 C ATOM 110 CZ2 TRP A 28 0.833 -10.559 6.095 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.193 -10.861 4.126 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.703 -11.312 5.356 1.00 2.06 C ATOM 0 H TRP A 28 1.641 -4.870 1.198 1.00 0.45 H new ATOM 0 HA TRP A 28 1.908 -5.466 4.088 1.00 0.48 H new ATOM 0 HB2 TRP A 28 -0.321 -5.972 2.871 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.565 -7.238 2.044 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -1.055 -6.426 5.371 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.893 -8.442 6.982 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.195 -9.298 2.660 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.456 -10.910 7.044 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 2.880 -11.481 3.569 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.018 -12.275 5.730 1.00 2.06 H new ATOM 123 N SER A 29 4.086 -6.476 3.474 1.00 0.50 N ATOM 124 CA SER A 29 5.296 -7.257 3.325 1.00 0.54 C ATOM 125 C SER A 29 5.868 -7.552 4.702 1.00 0.60 C ATOM 126 O SER A 29 5.723 -6.736 5.616 1.00 0.87 O ATOM 127 CB SER A 29 6.314 -6.486 2.482 1.00 0.57 C ATOM 128 OG SER A 29 5.735 -6.047 1.264 1.00 1.29 O ATOM 0 H SER A 29 4.128 -5.782 4.220 1.00 0.50 H new ATOM 0 HA SER A 29 5.069 -8.195 2.819 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.682 -5.628 3.044 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.174 -7.122 2.272 1.00 0.57 H new ATOM 0 HG SER A 29 6.403 -5.555 0.742 1.00 1.29 H new ATOM 134 N ASN A 30 6.488 -8.708 4.878 1.00 0.65 N ATOM 135 CA ASN A 30 7.160 -8.986 6.136 1.00 0.69 C ATOM 136 C ASN A 30 8.661 -8.980 5.923 1.00 0.68 C ATOM 137 O ASN A 30 9.322 -10.019 5.973 1.00 0.75 O ATOM 138 CB ASN A 30 6.720 -10.343 6.704 1.00 0.81 C ATOM 139 CG ASN A 30 5.404 -10.290 7.464 1.00 1.55 C ATOM 140 OD1 ASN A 30 4.534 -9.358 7.112 1.00 2.33 O flip ATOM 141 ND2 ASN A 30 5.173 -11.092 8.368 1.00 2.23 N flip ATOM 0 H ASN A 30 6.540 -9.453 4.183 1.00 0.65 H new ATOM 0 HA ASN A 30 6.889 -8.211 6.853 1.00 0.69 H new ATOM 0 HB2 ASN A 30 6.628 -11.057 5.885 1.00 0.81 H new ATOM 0 HB3 ASN A 30 7.498 -10.718 7.368 1.00 0.81 H new ATOM 0 HD21 ASN A 30 5.867 -11.798 8.613 1.00 2.23 H new ATOM 0 HD22 ASN A 30 4.287 -11.051 8.872 1.00 2.23 H new ATOM 148 N ASP A 31 9.192 -7.792 5.697 1.00 0.63 N ATOM 149 CA ASP A 31 10.627 -7.584 5.617 1.00 0.64 C ATOM 150 C ASP A 31 11.053 -6.650 6.739 1.00 0.65 C ATOM 151 O ASP A 31 10.203 -6.008 7.353 1.00 0.78 O ATOM 152 CB ASP A 31 11.013 -7.015 4.249 1.00 0.67 C ATOM 153 CG ASP A 31 12.512 -6.900 4.053 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.159 -7.922 3.743 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.057 -5.786 4.208 1.00 1.13 O ATOM 0 H ASP A 31 8.641 -6.944 5.564 1.00 0.63 H new ATOM 0 HA ASP A 31 11.143 -8.537 5.731 1.00 0.64 H new ATOM 0 HB2 ASP A 31 10.598 -7.652 3.467 1.00 0.67 H new ATOM 0 HB3 ASP A 31 10.561 -6.030 4.131 1.00 0.67 H new ATOM 160 N LYS A 32 12.337 -6.563 7.026 1.00 0.69 N ATOM 161 CA LYS A 32 12.803 -5.618 8.027 1.00 0.77 C ATOM 162 C LYS A 32 12.941 -4.214 7.440 1.00 0.71 C ATOM 163 O LYS A 32 12.182 -3.303 7.787 1.00 0.77 O ATOM 164 CB LYS A 32 14.129 -6.079 8.639 1.00 0.97 C ATOM 165 CG LYS A 32 14.007 -7.323 9.514 1.00 1.52 C ATOM 166 CD LYS A 32 13.602 -6.999 10.954 1.00 2.06 C ATOM 167 CE LYS A 32 12.238 -6.329 11.043 1.00 2.28 C ATOM 168 NZ LYS A 32 11.768 -6.187 12.446 1.00 3.05 N ATOM 0 H LYS A 32 13.068 -7.125 6.589 1.00 0.69 H new ATOM 0 HA LYS A 32 12.055 -5.580 8.819 1.00 0.77 H new ATOM 0 HB2 LYS A 32 14.838 -6.280 7.836 1.00 0.97 H new ATOM 0 HB3 LYS A 32 14.544 -5.267 9.235 1.00 0.97 H new ATOM 0 HG2 LYS A 32 13.270 -7.998 9.077 1.00 1.52 H new ATOM 0 HG3 LYS A 32 14.960 -7.852 9.520 1.00 1.52 H new ATOM 0 HD2 LYS A 32 13.590 -7.918 11.539 1.00 2.06 H new ATOM 0 HD3 LYS A 32 14.353 -6.347 11.400 1.00 2.06 H new ATOM 0 HE2 LYS A 32 12.289 -5.344 10.578 1.00 2.28 H new ATOM 0 HE3 LYS A 32 11.512 -6.912 10.477 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 10.836 -5.726 12.455 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 11.693 -7.127 12.884 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 12.446 -5.608 12.982 1.00 3.05 H new ATOM 182 N LYS A 33 13.883 -4.054 6.522 1.00 0.71 N ATOM 183 CA LYS A 33 14.241 -2.736 6.012 1.00 0.75 C ATOM 184 C LYS A 33 13.241 -2.209 4.994 1.00 0.64 C ATOM 185 O LYS A 33 13.086 -1.000 4.866 1.00 0.63 O ATOM 186 CB LYS A 33 15.648 -2.755 5.410 1.00 0.94 C ATOM 187 CG LYS A 33 16.746 -2.592 6.447 1.00 1.55 C ATOM 188 CD LYS A 33 16.773 -1.176 7.003 1.00 2.09 C ATOM 189 CE LYS A 33 17.699 -1.056 8.201 1.00 2.72 C ATOM 190 NZ LYS A 33 17.237 -1.891 9.339 1.00 3.16 N ATOM 0 H LYS A 33 14.415 -4.822 6.113 1.00 0.71 H new ATOM 0 HA LYS A 33 14.221 -2.055 6.863 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.796 -3.695 4.879 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.732 -1.956 4.673 1.00 0.94 H new ATOM 0 HG2 LYS A 33 16.590 -3.302 7.260 1.00 1.55 H new ATOM 0 HG3 LYS A 33 17.711 -2.828 5.999 1.00 1.55 H new ATOM 0 HD2 LYS A 33 17.096 -0.486 6.224 1.00 2.09 H new ATOM 0 HD3 LYS A 33 15.765 -0.880 7.292 1.00 2.09 H new ATOM 0 HE2 LYS A 33 18.706 -1.358 7.914 1.00 2.72 H new ATOM 0 HE3 LYS A 33 17.756 -0.013 8.514 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 17.404 -1.384 10.232 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 16.221 -2.086 9.237 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 17.762 -2.789 9.347 1.00 3.16 H new ATOM 204 N LEU A 34 12.560 -3.097 4.278 1.00 0.62 N ATOM 205 CA LEU A 34 11.595 -2.666 3.267 1.00 0.61 C ATOM 206 C LEU A 34 10.535 -1.763 3.891 1.00 0.54 C ATOM 207 O LEU A 34 10.172 -0.730 3.326 1.00 0.61 O ATOM 208 CB LEU A 34 10.926 -3.870 2.603 1.00 0.66 C ATOM 209 CG LEU A 34 9.960 -3.536 1.460 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.695 -2.851 0.322 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.268 -4.796 0.962 1.00 1.59 C ATOM 0 H LEU A 34 12.654 -4.108 4.375 1.00 0.62 H new ATOM 0 HA LEU A 34 12.136 -2.105 2.505 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.703 -4.530 2.218 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.382 -4.428 3.365 1.00 0.66 H new ATOM 0 HG LEU A 34 9.202 -2.852 1.841 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.992 -2.622 -0.479 1.00 1.22 H new ATOM 0 HD12 LEU A 34 11.146 -1.927 0.684 1.00 1.22 H new ATOM 0 HD13 LEU A 34 11.475 -3.511 -0.057 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.586 -4.540 0.151 1.00 1.59 H new ATOM 0 HD22 LEU A 34 10.015 -5.502 0.599 1.00 1.59 H new ATOM 0 HD23 LEU A 34 8.706 -5.250 1.779 1.00 1.59 H new ATOM 223 N ILE A 35 10.065 -2.149 5.070 1.00 0.48 N ATOM 224 CA ILE A 35 9.070 -1.369 5.790 1.00 0.49 C ATOM 225 C ILE A 35 9.652 -0.023 6.215 1.00 0.48 C ATOM 226 O ILE A 35 9.017 1.017 6.052 1.00 0.53 O ATOM 227 CB ILE A 35 8.560 -2.124 7.037 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.952 -3.469 6.628 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.536 -1.283 7.793 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.554 -4.337 7.803 1.00 1.01 C ATOM 0 H ILE A 35 10.359 -3.001 5.548 1.00 0.48 H new ATOM 0 HA ILE A 35 8.230 -1.205 5.115 1.00 0.49 H new ATOM 0 HB ILE A 35 9.405 -2.310 7.700 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.075 -3.288 6.007 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.671 -4.011 6.013 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.189 -1.832 8.668 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.997 -0.348 8.111 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.690 -1.067 7.141 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.131 -5.273 7.437 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.432 -4.549 8.413 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.811 -3.815 8.406 1.00 1.01 H new ATOM 242 N GLU A 36 10.876 -0.052 6.730 1.00 0.50 N ATOM 243 CA GLU A 36 11.535 1.157 7.215 1.00 0.53 C ATOM 244 C GLU A 36 11.852 2.113 6.066 1.00 0.48 C ATOM 245 O GLU A 36 11.779 3.335 6.222 1.00 0.51 O ATOM 246 CB GLU A 36 12.821 0.797 7.964 1.00 0.66 C ATOM 247 CG GLU A 36 12.599 -0.155 9.129 1.00 1.22 C ATOM 248 CD GLU A 36 13.870 -0.446 9.899 1.00 1.73 C ATOM 249 OE1 GLU A 36 14.618 -1.364 9.502 1.00 2.62 O ATOM 250 OE2 GLU A 36 14.119 0.231 10.918 1.00 2.01 O ATOM 0 H GLU A 36 11.434 -0.901 6.823 1.00 0.50 H new ATOM 0 HA GLU A 36 10.851 1.660 7.898 1.00 0.53 H new ATOM 0 HB2 GLU A 36 13.525 0.345 7.265 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.284 1.711 8.336 1.00 0.66 H new ATOM 0 HG2 GLU A 36 11.859 0.273 9.806 1.00 1.22 H new ATOM 0 HG3 GLU A 36 12.185 -1.091 8.754 1.00 1.22 H new ATOM 257 N GLU A 37 12.210 1.555 4.917 1.00 0.48 N ATOM 258 CA GLU A 37 12.528 2.352 3.740 1.00 0.51 C ATOM 259 C GLU A 37 11.274 2.978 3.147 1.00 0.44 C ATOM 260 O GLU A 37 11.273 4.153 2.774 1.00 0.48 O ATOM 261 CB GLU A 37 13.240 1.501 2.689 1.00 0.65 C ATOM 262 CG GLU A 37 14.629 1.063 3.113 1.00 0.80 C ATOM 263 CD GLU A 37 15.506 2.234 3.494 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.577 2.563 4.695 1.00 1.61 O ATOM 265 OE2 GLU A 37 16.123 2.838 2.591 1.00 1.55 O ATOM 0 H GLU A 37 12.288 0.548 4.775 1.00 0.48 H new ATOM 0 HA GLU A 37 13.196 3.155 4.052 1.00 0.51 H new ATOM 0 HB2 GLU A 37 12.637 0.618 2.477 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.313 2.068 1.761 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.550 0.380 3.959 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.098 0.510 2.299 1.00 0.80 H new ATOM 272 N ALA A 38 10.208 2.194 3.065 1.00 0.40 N ATOM 273 CA ALA A 38 8.938 2.694 2.565 1.00 0.42 C ATOM 274 C ALA A 38 8.386 3.761 3.502 1.00 0.39 C ATOM 275 O ALA A 38 7.895 4.799 3.062 1.00 0.42 O ATOM 276 CB ALA A 38 7.941 1.554 2.410 1.00 0.50 C ATOM 0 H ALA A 38 10.199 1.211 3.338 1.00 0.40 H new ATOM 0 HA ALA A 38 9.102 3.143 1.585 1.00 0.42 H new ATOM 0 HB1 ALA A 38 6.996 1.946 2.035 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.334 0.820 1.707 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.778 1.079 3.377 1.00 0.50 H new ATOM 282 N ARG A 39 8.504 3.499 4.797 1.00 0.41 N ATOM 283 CA ARG A 39 8.003 4.396 5.830 1.00 0.50 C ATOM 284 C ARG A 39 8.636 5.784 5.721 1.00 0.46 C ATOM 285 O ARG A 39 7.928 6.787 5.633 1.00 0.52 O ATOM 286 CB ARG A 39 8.287 3.794 7.207 1.00 0.62 C ATOM 287 CG ARG A 39 7.699 4.574 8.369 1.00 1.18 C ATOM 288 CD ARG A 39 8.076 3.932 9.694 1.00 1.43 C ATOM 289 NE ARG A 39 9.527 3.872 9.870 1.00 1.88 N ATOM 290 CZ ARG A 39 10.165 2.927 10.558 1.00 2.58 C ATOM 291 NH1 ARG A 39 9.490 1.949 11.153 1.00 2.84 N ATOM 292 NH2 ARG A 39 11.487 2.962 10.647 1.00 3.48 N ATOM 0 H ARG A 39 8.950 2.657 5.161 1.00 0.41 H new ATOM 0 HA ARG A 39 6.928 4.512 5.693 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.895 2.777 7.233 1.00 0.62 H new ATOM 0 HB3 ARG A 39 9.366 3.723 7.343 1.00 0.62 H new ATOM 0 HG2 ARG A 39 8.059 5.602 8.342 1.00 1.18 H new ATOM 0 HG3 ARG A 39 6.614 4.614 8.274 1.00 1.18 H new ATOM 0 HD2 ARG A 39 7.633 4.499 10.513 1.00 1.43 H new ATOM 0 HD3 ARG A 39 7.661 2.925 9.742 1.00 1.43 H new ATOM 0 HE ARG A 39 10.089 4.604 9.436 1.00 1.88 H new ATOM 0 HH11 ARG A 39 8.473 1.917 11.085 1.00 2.84 H new ATOM 0 HH12 ARG A 39 9.989 1.230 11.677 1.00 2.84 H new ATOM 0 HH21 ARG A 39 12.009 3.710 10.190 1.00 3.48 H new ATOM 0 HH22 ARG A 39 11.982 2.241 11.172 1.00 3.48 H new ATOM 306 N LYS A 40 9.967 5.835 5.708 1.00 0.45 N ATOM 307 CA LYS A 40 10.679 7.111 5.690 1.00 0.49 C ATOM 308 C LYS A 40 10.404 7.889 4.406 1.00 0.42 C ATOM 309 O LYS A 40 10.228 9.107 4.437 1.00 0.47 O ATOM 310 CB LYS A 40 12.194 6.909 5.866 1.00 0.62 C ATOM 311 CG LYS A 40 12.836 6.022 4.810 1.00 1.06 C ATOM 312 CD LYS A 40 14.357 6.060 4.881 1.00 1.58 C ATOM 313 CE LYS A 40 14.879 5.597 6.234 1.00 2.12 C ATOM 314 NZ LYS A 40 14.521 4.184 6.521 1.00 2.95 N ATOM 0 H LYS A 40 10.571 5.013 5.710 1.00 0.45 H new ATOM 0 HA LYS A 40 10.305 7.694 6.532 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.682 7.883 5.851 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.379 6.475 6.849 1.00 0.62 H new ATOM 0 HG2 LYS A 40 12.492 4.996 4.941 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.511 6.343 3.820 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.772 5.427 4.097 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.703 7.075 4.687 1.00 1.58 H new ATOM 0 HE2 LYS A 40 15.963 5.708 6.260 1.00 2.12 H new ATOM 0 HE3 LYS A 40 14.474 6.239 7.017 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 14.982 3.881 7.403 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 13.489 4.101 6.623 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 14.841 3.579 5.738 1.00 2.95 H new ATOM 328 N MET A 41 10.350 7.185 3.281 1.00 0.39 N ATOM 329 CA MET A 41 10.154 7.836 1.992 1.00 0.41 C ATOM 330 C MET A 41 8.740 8.390 1.890 1.00 0.42 C ATOM 331 O MET A 41 8.528 9.505 1.412 1.00 0.52 O ATOM 332 CB MET A 41 10.421 6.856 0.847 1.00 0.48 C ATOM 333 CG MET A 41 10.436 7.522 -0.528 1.00 0.69 C ATOM 334 SD MET A 41 11.645 8.861 -0.636 1.00 1.10 S ATOM 335 CE MET A 41 13.177 7.963 -0.379 1.00 1.55 C ATOM 0 H MET A 41 10.439 6.170 3.235 1.00 0.39 H new ATOM 0 HA MET A 41 10.862 8.661 1.913 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.379 6.364 1.015 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.657 6.078 0.858 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.659 6.773 -1.288 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.443 7.915 -0.749 1.00 0.69 H new ATOM 0 HE1 MET A 41 14.023 8.627 -0.558 1.00 1.55 H new ATOM 0 HE2 MET A 41 13.216 7.595 0.646 1.00 1.55 H new ATOM 0 HE3 MET A 41 13.225 7.120 -1.069 1.00 1.55 H new ATOM 345 N ALA A 42 7.779 7.608 2.359 1.00 0.40 N ATOM 346 CA ALA A 42 6.388 8.019 2.343 1.00 0.49 C ATOM 347 C ALA A 42 6.158 9.186 3.292 1.00 0.51 C ATOM 348 O ALA A 42 5.411 10.104 2.978 1.00 0.59 O ATOM 349 CB ALA A 42 5.494 6.853 2.716 1.00 0.58 C ATOM 0 H ALA A 42 7.941 6.683 2.756 1.00 0.40 H new ATOM 0 HA ALA A 42 6.138 8.346 1.334 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.452 7.174 2.701 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.635 6.043 2.000 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.751 6.503 3.716 1.00 0.58 H new ATOM 355 N GLU A 43 6.811 9.147 4.448 1.00 0.50 N ATOM 356 CA GLU A 43 6.672 10.209 5.438 1.00 0.60 C ATOM 357 C GLU A 43 7.177 11.536 4.876 1.00 0.62 C ATOM 358 O GLU A 43 6.557 12.582 5.071 1.00 0.73 O ATOM 359 CB GLU A 43 7.435 9.853 6.716 1.00 0.67 C ATOM 360 CG GLU A 43 7.178 10.815 7.864 1.00 0.97 C ATOM 361 CD GLU A 43 7.959 10.458 9.108 1.00 1.62 C ATOM 362 OE1 GLU A 43 7.463 9.644 9.912 1.00 2.16 O ATOM 363 OE2 GLU A 43 9.073 10.990 9.288 1.00 2.38 O ATOM 0 H GLU A 43 7.441 8.393 4.723 1.00 0.50 H new ATOM 0 HA GLU A 43 5.614 10.314 5.680 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.157 8.846 7.027 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.503 9.836 6.499 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.441 11.826 7.552 1.00 0.97 H new ATOM 0 HG3 GLU A 43 6.113 10.820 8.097 1.00 0.97 H new ATOM 370 N LYS A 44 8.298 11.484 4.162 1.00 0.58 N ATOM 371 CA LYS A 44 8.868 12.680 3.548 1.00 0.66 C ATOM 372 C LYS A 44 7.979 13.193 2.422 1.00 0.66 C ATOM 373 O LYS A 44 7.916 14.395 2.166 1.00 0.70 O ATOM 374 CB LYS A 44 10.271 12.396 3.005 1.00 0.76 C ATOM 375 CG LYS A 44 11.304 12.105 4.082 1.00 1.29 C ATOM 376 CD LYS A 44 11.423 13.258 5.065 1.00 1.69 C ATOM 377 CE LYS A 44 12.577 13.047 6.029 1.00 2.09 C ATOM 378 NZ LYS A 44 13.891 13.057 5.334 1.00 2.20 N ATOM 0 H LYS A 44 8.829 10.629 3.994 1.00 0.58 H new ATOM 0 HA LYS A 44 8.934 13.446 4.320 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.221 11.546 2.325 1.00 0.76 H new ATOM 0 HB3 LYS A 44 10.603 13.253 2.420 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.028 11.196 4.617 1.00 1.29 H new ATOM 0 HG3 LYS A 44 12.273 11.919 3.618 1.00 1.29 H new ATOM 0 HD2 LYS A 44 11.569 14.190 4.519 1.00 1.69 H new ATOM 0 HD3 LYS A 44 10.493 13.358 5.625 1.00 1.69 H new ATOM 0 HE2 LYS A 44 12.563 13.829 6.789 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.448 12.097 6.547 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 14.649 13.216 6.028 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 14.041 12.143 4.861 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 13.904 13.819 4.626 1.00 2.20 H new ATOM 392 N ALA A 45 7.287 12.277 1.761 1.00 0.67 N ATOM 393 CA ALA A 45 6.410 12.632 0.657 1.00 0.74 C ATOM 394 C ALA A 45 4.973 12.845 1.133 1.00 0.73 C ATOM 395 O ALA A 45 4.057 12.976 0.322 1.00 0.81 O ATOM 396 CB ALA A 45 6.464 11.559 -0.419 1.00 0.82 C ATOM 0 H ALA A 45 7.317 11.279 1.971 1.00 0.67 H new ATOM 0 HA ALA A 45 6.760 13.574 0.235 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.804 11.835 -1.241 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.485 11.466 -0.789 1.00 0.82 H new ATOM 0 HB3 ALA A 45 6.142 10.606 0.001 1.00 0.82 H new ATOM 402 N ASN A 46 4.795 12.868 2.458 1.00 0.69 N ATOM 403 CA ASN A 46 3.491 13.127 3.082 1.00 0.72 C ATOM 404 C ASN A 46 2.450 12.093 2.660 1.00 0.67 C ATOM 405 O ASN A 46 1.292 12.425 2.402 1.00 0.84 O ATOM 406 CB ASN A 46 3.004 14.537 2.742 1.00 0.87 C ATOM 407 CG ASN A 46 3.819 15.614 3.429 1.00 1.46 C ATOM 408 OD1 ASN A 46 4.298 15.429 4.549 1.00 2.13 O ATOM 409 ND2 ASN A 46 3.984 16.746 2.763 1.00 2.13 N ATOM 0 H ASN A 46 5.548 12.708 3.127 1.00 0.69 H new ATOM 0 HA ASN A 46 3.622 13.048 4.161 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.050 14.684 1.663 1.00 0.87 H new ATOM 0 HB3 ASN A 46 1.958 14.637 3.032 1.00 0.87 H new ATOM 0 HD21 ASN A 46 4.525 17.506 3.175 1.00 2.13 H new ATOM 0 HD22 ASN A 46 3.570 16.858 1.837 1.00 2.13 H new ATOM 416 N LEU A 47 2.869 10.839 2.601 1.00 0.51 N ATOM 417 CA LEU A 47 1.991 9.752 2.194 1.00 0.51 C ATOM 418 C LEU A 47 1.624 8.880 3.386 1.00 0.46 C ATOM 419 O LEU A 47 2.281 8.926 4.428 1.00 0.56 O ATOM 420 CB LEU A 47 2.669 8.895 1.126 1.00 0.58 C ATOM 421 CG LEU A 47 3.151 9.652 -0.110 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.829 8.706 -1.086 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.997 10.379 -0.775 1.00 1.18 C ATOM 0 H LEU A 47 3.819 10.547 2.832 1.00 0.51 H new ATOM 0 HA LEU A 47 1.081 10.189 1.783 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.522 8.389 1.578 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.971 8.121 0.808 1.00 0.58 H new ATOM 0 HG LEU A 47 3.883 10.395 0.206 1.00 0.69 H new ATOM 0 HD11 LEU A 47 4.165 9.264 -1.960 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.686 8.238 -0.603 1.00 1.00 H new ATOM 0 HD13 LEU A 47 3.123 7.936 -1.397 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.361 10.912 -1.653 1.00 1.18 H new ATOM 0 HD22 LEU A 47 1.238 9.657 -1.077 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.562 11.090 -0.073 1.00 1.18 H new ATOM 435 N TYR A 48 0.576 8.085 3.232 1.00 0.49 N ATOM 436 CA TYR A 48 0.138 7.198 4.295 1.00 0.54 C ATOM 437 C TYR A 48 0.166 5.751 3.825 1.00 0.46 C ATOM 438 O TYR A 48 -0.595 5.364 2.937 1.00 0.58 O ATOM 439 CB TYR A 48 -1.272 7.577 4.772 1.00 0.64 C ATOM 440 CG TYR A 48 -1.379 9.009 5.249 1.00 0.77 C ATOM 441 CD1 TYR A 48 -1.738 10.028 4.376 1.00 1.51 C ATOM 442 CD2 TYR A 48 -1.108 9.342 6.571 1.00 1.31 C ATOM 443 CE1 TYR A 48 -1.825 11.338 4.804 1.00 1.61 C ATOM 444 CE2 TYR A 48 -1.196 10.650 7.008 1.00 1.43 C ATOM 445 CZ TYR A 48 -1.552 11.644 6.120 1.00 1.09 C ATOM 446 OH TYR A 48 -1.638 12.949 6.550 1.00 1.28 O ATOM 0 H TYR A 48 0.015 8.037 2.382 1.00 0.49 H new ATOM 0 HA TYR A 48 0.825 7.305 5.134 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -1.978 7.419 3.957 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.566 6.909 5.582 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -1.953 9.792 3.344 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -0.824 8.567 7.267 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -2.105 12.118 4.112 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -0.987 10.893 8.039 1.00 1.43 H new ATOM 0 HH TYR A 48 -1.416 12.995 7.503 1.00 1.28 H new ATOM 456 N LEU A 49 1.069 4.965 4.401 1.00 0.46 N ATOM 457 CA LEU A 49 1.149 3.543 4.098 1.00 0.46 C ATOM 458 C LEU A 49 0.427 2.743 5.161 1.00 0.50 C ATOM 459 O LEU A 49 0.448 3.091 6.343 1.00 0.61 O ATOM 460 CB LEU A 49 2.602 3.050 3.979 1.00 0.66 C ATOM 461 CG LEU A 49 3.452 3.174 5.243 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.494 2.066 5.294 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.135 4.523 5.275 1.00 1.35 C ATOM 0 H LEU A 49 1.756 5.290 5.081 1.00 0.46 H new ATOM 0 HA LEU A 49 0.670 3.395 3.130 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.587 2.003 3.675 1.00 0.66 H new ATOM 0 HB3 LEU A 49 3.090 3.607 3.179 1.00 0.66 H new ATOM 0 HG LEU A 49 2.800 3.081 6.111 1.00 0.81 H new ATOM 0 HD11 LEU A 49 5.091 2.169 6.200 1.00 1.76 H new ATOM 0 HD12 LEU A 49 3.995 1.097 5.296 1.00 1.76 H new ATOM 0 HD13 LEU A 49 5.144 2.137 4.422 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.739 4.604 6.179 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.776 4.627 4.400 1.00 1.35 H new ATOM 0 HD23 LEU A 49 3.383 5.312 5.270 1.00 1.35 H new ATOM 475 N LEU A 50 -0.224 1.686 4.724 1.00 0.52 N ATOM 476 CA LEU A 50 -1.028 0.861 5.604 1.00 0.63 C ATOM 477 C LEU A 50 -0.632 -0.606 5.480 1.00 0.69 C ATOM 478 O LEU A 50 -0.441 -1.115 4.375 1.00 0.69 O ATOM 479 CB LEU A 50 -2.516 1.017 5.273 1.00 0.77 C ATOM 480 CG LEU A 50 -3.145 2.389 5.562 1.00 0.81 C ATOM 481 CD1 LEU A 50 -2.676 3.439 4.570 1.00 1.24 C ATOM 482 CD2 LEU A 50 -4.659 2.289 5.532 1.00 1.48 C ATOM 0 H LEU A 50 -0.212 1.374 3.753 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.851 1.191 6.628 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.655 0.795 4.215 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -3.070 0.263 5.832 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.822 2.698 6.556 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.142 4.396 4.806 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -1.592 3.538 4.630 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -2.957 3.138 3.561 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -5.092 3.268 5.738 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.982 1.949 4.548 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -4.992 1.578 6.288 1.00 1.48 H new ATOM 494 N THR A 51 -0.504 -1.271 6.616 1.00 0.85 N ATOM 495 CA THR A 51 -0.233 -2.702 6.658 1.00 1.00 C ATOM 496 C THR A 51 -1.215 -3.372 7.619 1.00 1.38 C ATOM 497 O THR A 51 -1.057 -3.288 8.838 1.00 2.04 O ATOM 498 CB THR A 51 1.212 -2.983 7.117 1.00 1.42 C ATOM 499 OG1 THR A 51 2.129 -2.142 6.399 1.00 1.86 O ATOM 500 CG2 THR A 51 1.580 -4.443 6.894 1.00 2.07 C ATOM 0 H THR A 51 -0.585 -0.837 7.535 1.00 0.85 H new ATOM 0 HA THR A 51 -0.355 -3.107 5.653 1.00 1.00 H new ATOM 0 HB THR A 51 1.276 -2.767 8.183 1.00 1.42 H new ATOM 0 HG1 THR A 51 2.198 -2.450 5.471 1.00 1.86 H new ATOM 0 HG21 THR A 51 2.604 -4.615 7.226 1.00 2.07 H new ATOM 0 HG22 THR A 51 0.902 -5.080 7.463 1.00 2.07 H new ATOM 0 HG23 THR A 51 1.498 -4.681 5.834 1.00 2.07 H new ATOM 508 N LEU A 52 -2.237 -4.015 7.067 1.00 1.17 N ATOM 509 CA LEU A 52 -3.338 -4.532 7.874 1.00 1.66 C ATOM 510 C LEU A 52 -4.072 -5.650 7.136 1.00 1.10 C ATOM 511 O LEU A 52 -4.044 -5.710 5.907 1.00 1.25 O ATOM 512 CB LEU A 52 -4.319 -3.373 8.268 1.00 2.63 C ATOM 513 CG LEU A 52 -5.022 -2.570 7.136 1.00 2.95 C ATOM 514 CD1 LEU A 52 -4.034 -1.922 6.188 1.00 3.41 C ATOM 515 CD2 LEU A 52 -6.015 -3.420 6.361 1.00 3.43 C ATOM 0 H LEU A 52 -2.327 -4.191 6.066 1.00 1.17 H new ATOM 0 HA LEU A 52 -2.927 -4.954 8.791 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -5.096 -3.800 8.902 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -3.763 -2.663 8.880 1.00 2.63 H new ATOM 0 HG LEU A 52 -5.575 -1.775 7.637 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -4.575 -1.374 5.417 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -3.396 -1.234 6.742 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.419 -2.692 5.722 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -6.480 -2.816 5.582 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -5.495 -4.263 5.905 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -6.783 -3.792 7.039 1.00 3.43 H new ATOM 527 N GLU A 53 -4.679 -6.560 7.895 1.00 1.35 N ATOM 528 CA GLU A 53 -5.581 -7.554 7.329 1.00 1.60 C ATOM 529 C GLU A 53 -7.035 -7.083 7.434 1.00 1.84 C ATOM 530 O GLU A 53 -7.899 -7.538 6.684 1.00 2.34 O ATOM 531 CB GLU A 53 -5.426 -8.888 8.057 1.00 2.04 C ATOM 532 CG GLU A 53 -4.014 -9.445 8.037 1.00 2.24 C ATOM 533 CD GLU A 53 -3.873 -10.692 8.884 1.00 2.43 C ATOM 534 OE1 GLU A 53 -3.701 -11.788 8.319 1.00 2.97 O ATOM 535 OE2 GLU A 53 -3.943 -10.583 10.129 1.00 2.75 O ATOM 0 H GLU A 53 -4.560 -6.627 8.906 1.00 1.35 H new ATOM 0 HA GLU A 53 -5.324 -7.685 6.278 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -5.741 -8.763 9.093 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -6.099 -9.617 7.605 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -3.731 -9.673 7.009 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -3.321 -8.684 8.397 1.00 2.24 H new ATOM 542 N THR A 54 -7.298 -6.176 8.373 1.00 1.76 N ATOM 543 CA THR A 54 -8.650 -5.672 8.604 1.00 1.96 C ATOM 544 C THR A 54 -8.851 -4.305 7.939 1.00 1.44 C ATOM 545 O THR A 54 -8.297 -3.287 8.365 1.00 1.41 O ATOM 546 CB THR A 54 -8.971 -5.592 10.115 1.00 2.58 C ATOM 547 OG1 THR A 54 -10.256 -4.991 10.319 1.00 2.85 O ATOM 548 CG2 THR A 54 -7.906 -4.809 10.876 1.00 3.30 C ATOM 0 H THR A 54 -6.590 -5.774 8.988 1.00 1.76 H new ATOM 0 HA THR A 54 -9.343 -6.379 8.149 1.00 1.96 H new ATOM 0 HB THR A 54 -8.982 -6.611 10.503 1.00 2.58 H new ATOM 0 HG1 THR A 54 -10.448 -4.948 11.279 1.00 2.85 H new ATOM 0 HG21 THR A 54 -8.166 -4.774 11.934 1.00 3.30 H new ATOM 0 HG22 THR A 54 -6.939 -5.298 10.756 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.850 -3.794 10.483 1.00 3.30 H new ATOM 556 N ASP A 55 -9.665 -4.311 6.889 1.00 1.58 N ATOM 557 CA ASP A 55 -9.850 -3.156 6.009 1.00 1.57 C ATOM 558 C ASP A 55 -10.435 -1.964 6.748 1.00 1.40 C ATOM 559 O ASP A 55 -9.905 -0.857 6.685 1.00 1.25 O ATOM 560 CB ASP A 55 -10.800 -3.511 4.859 1.00 2.38 C ATOM 561 CG ASP A 55 -10.526 -4.867 4.249 1.00 3.04 C ATOM 562 OD1 ASP A 55 -10.751 -5.891 4.936 1.00 3.66 O ATOM 563 OD2 ASP A 55 -10.127 -4.930 3.073 1.00 3.51 O ATOM 0 H ASP A 55 -10.221 -5.123 6.620 1.00 1.58 H new ATOM 0 HA ASP A 55 -8.863 -2.891 5.630 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -11.826 -3.486 5.225 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -10.720 -2.749 4.083 1.00 2.38 H new ATOM 568 N ASP A 56 -11.538 -2.212 7.434 1.00 1.62 N ATOM 569 CA ASP A 56 -12.319 -1.162 8.079 1.00 1.72 C ATOM 570 C ASP A 56 -11.474 -0.289 8.993 1.00 1.47 C ATOM 571 O ASP A 56 -11.533 0.936 8.916 1.00 1.48 O ATOM 572 CB ASP A 56 -13.447 -1.785 8.888 1.00 2.15 C ATOM 573 CG ASP A 56 -14.564 -2.328 8.025 1.00 2.43 C ATOM 574 OD1 ASP A 56 -14.485 -3.506 7.615 1.00 2.98 O ATOM 575 OD2 ASP A 56 -15.537 -1.590 7.763 1.00 2.88 O ATOM 0 H ASP A 56 -11.921 -3.149 7.562 1.00 1.62 H new ATOM 0 HA ASP A 56 -12.719 -0.527 7.289 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -13.044 -2.591 9.501 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -13.853 -1.038 9.570 1.00 2.15 H new ATOM 580 N LYS A 57 -10.682 -0.925 9.842 1.00 1.39 N ATOM 581 CA LYS A 57 -9.931 -0.213 10.864 1.00 1.42 C ATOM 582 C LYS A 57 -8.986 0.824 10.261 1.00 1.20 C ATOM 583 O LYS A 57 -9.196 2.026 10.417 1.00 1.27 O ATOM 584 CB LYS A 57 -9.151 -1.198 11.741 1.00 1.57 C ATOM 585 CG LYS A 57 -8.359 -0.526 12.854 1.00 1.98 C ATOM 586 CD LYS A 57 -7.699 -1.534 13.787 1.00 2.71 C ATOM 587 CE LYS A 57 -8.642 -2.013 14.889 1.00 3.40 C ATOM 588 NZ LYS A 57 -9.729 -2.890 14.381 1.00 4.03 N ATOM 0 H LYS A 57 -10.542 -1.935 9.843 1.00 1.39 H new ATOM 0 HA LYS A 57 -10.652 0.321 11.483 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -9.848 -1.911 12.182 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -8.467 -1.768 11.113 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -7.594 0.115 12.416 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -9.023 0.118 13.431 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -7.357 -2.391 13.207 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -6.816 -1.082 14.239 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -8.068 -2.554 15.641 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -9.082 -1.148 15.385 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -10.005 -3.565 15.122 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -10.550 -2.308 14.119 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -9.393 -3.411 13.546 1.00 4.03 H new ATOM 602 N LYS A 58 -7.962 0.368 9.558 1.00 1.07 N ATOM 603 CA LYS A 58 -6.907 1.267 9.116 1.00 1.04 C ATOM 604 C LYS A 58 -7.268 1.954 7.800 1.00 0.88 C ATOM 605 O LYS A 58 -7.128 3.171 7.670 1.00 0.87 O ATOM 606 CB LYS A 58 -5.592 0.501 8.967 1.00 1.18 C ATOM 607 CG LYS A 58 -4.369 1.280 9.430 1.00 1.64 C ATOM 608 CD LYS A 58 -4.424 1.559 10.926 1.00 2.25 C ATOM 609 CE LYS A 58 -3.134 2.186 11.437 1.00 2.61 C ATOM 610 NZ LYS A 58 -2.849 3.495 10.793 1.00 2.99 N ATOM 0 H LYS A 58 -7.838 -0.607 9.284 1.00 1.07 H new ATOM 0 HA LYS A 58 -6.790 2.041 9.874 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -5.657 -0.427 9.536 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -5.460 0.225 7.921 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -3.466 0.716 9.196 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -4.307 2.222 8.884 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -5.260 2.225 11.140 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -4.612 0.628 11.462 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -3.201 2.322 12.516 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -2.304 1.504 11.253 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -1.989 3.907 11.209 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -2.708 3.356 9.772 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -3.651 4.139 10.947 1.00 2.99 H new ATOM 624 N ILE A 59 -7.747 1.174 6.837 1.00 0.83 N ATOM 625 CA ILE A 59 -8.001 1.686 5.492 1.00 0.80 C ATOM 626 C ILE A 59 -9.110 2.731 5.496 1.00 0.74 C ATOM 627 O ILE A 59 -8.929 3.841 4.992 1.00 0.78 O ATOM 628 CB ILE A 59 -8.385 0.550 4.515 1.00 0.90 C ATOM 629 CG1 ILE A 59 -7.262 -0.482 4.413 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.715 1.105 3.133 1.00 0.96 C ATOM 631 CD1 ILE A 59 -7.651 -1.702 3.605 1.00 1.33 C ATOM 0 H ILE A 59 -7.967 0.186 6.961 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.073 2.148 5.155 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.274 0.059 4.911 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.388 -0.016 3.959 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.971 -0.795 5.416 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.982 0.285 2.466 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.553 1.798 3.210 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.846 1.629 2.735 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -6.812 -2.397 3.569 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -8.507 -2.190 4.072 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.914 -1.399 2.592 1.00 1.33 H new ATOM 643 N GLU A 60 -10.249 2.381 6.082 1.00 0.77 N ATOM 644 CA GLU A 60 -11.411 3.257 6.056 1.00 0.87 C ATOM 645 C GLU A 60 -11.169 4.508 6.897 1.00 0.85 C ATOM 646 O GLU A 60 -11.686 5.583 6.584 1.00 0.94 O ATOM 647 CB GLU A 60 -12.656 2.509 6.542 1.00 1.04 C ATOM 648 CG GLU A 60 -13.929 3.330 6.450 1.00 1.32 C ATOM 649 CD GLU A 60 -15.159 2.549 6.851 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.452 2.466 8.062 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.849 2.020 5.956 1.00 2.01 O ATOM 0 H GLU A 60 -10.391 1.501 6.578 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.578 3.572 5.026 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.776 1.599 5.954 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -12.505 2.202 7.577 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -13.837 4.208 7.090 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.050 3.691 5.429 1.00 1.32 H new ATOM 658 N ASP A 61 -10.376 4.367 7.955 1.00 0.82 N ATOM 659 CA ASP A 61 -10.017 5.503 8.796 1.00 0.88 C ATOM 660 C ASP A 61 -9.286 6.571 7.988 1.00 0.79 C ATOM 661 O ASP A 61 -9.706 7.730 7.945 1.00 0.83 O ATOM 662 CB ASP A 61 -9.146 5.044 9.967 1.00 0.99 C ATOM 663 CG ASP A 61 -8.654 6.195 10.820 1.00 1.55 C ATOM 664 OD1 ASP A 61 -9.429 6.702 11.658 1.00 2.27 O ATOM 665 OD2 ASP A 61 -7.482 6.592 10.668 1.00 2.05 O ATOM 0 H ASP A 61 -9.971 3.479 8.250 1.00 0.82 H new ATOM 0 HA ASP A 61 -10.937 5.938 9.187 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -9.716 4.354 10.589 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -8.289 4.491 9.582 1.00 0.99 H new ATOM 670 N ILE A 62 -8.210 6.172 7.321 1.00 0.72 N ATOM 671 CA ILE A 62 -7.402 7.115 6.559 1.00 0.69 C ATOM 672 C ILE A 62 -8.146 7.608 5.319 1.00 0.68 C ATOM 673 O ILE A 62 -8.155 8.804 5.034 1.00 0.73 O ATOM 674 CB ILE A 62 -6.037 6.506 6.169 1.00 0.73 C ATOM 675 CG1 ILE A 62 -5.259 6.143 7.437 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.238 7.477 5.308 1.00 0.77 C ATOM 677 CD1 ILE A 62 -3.862 5.621 7.183 1.00 0.93 C ATOM 0 H ILE A 62 -7.878 5.208 7.292 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.214 7.973 7.205 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.206 5.603 5.583 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.194 7.025 8.074 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -5.820 5.390 7.990 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.281 7.027 5.045 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.796 7.701 4.399 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.066 8.399 5.864 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -3.382 5.388 8.134 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -3.916 4.719 6.573 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -3.280 6.379 6.659 1.00 0.93 H new ATOM 689 N LEU A 63 -8.797 6.697 4.600 1.00 0.68 N ATOM 690 CA LEU A 63 -9.596 7.076 3.431 1.00 0.76 C ATOM 691 C LEU A 63 -10.790 7.950 3.813 1.00 0.84 C ATOM 692 O LEU A 63 -11.431 8.539 2.946 1.00 0.94 O ATOM 693 CB LEU A 63 -10.080 5.851 2.650 1.00 0.85 C ATOM 694 CG LEU A 63 -9.031 5.190 1.739 1.00 1.23 C ATOM 695 CD1 LEU A 63 -9.541 3.872 1.170 1.00 1.57 C ATOM 696 CD2 LEU A 63 -8.637 6.125 0.600 1.00 1.89 C ATOM 0 H LEU A 63 -8.789 5.697 4.802 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.935 7.658 2.788 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -10.439 5.107 3.361 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.933 6.145 2.039 1.00 0.85 H new ATOM 0 HG LEU A 63 -8.153 4.984 2.351 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -8.776 3.431 0.531 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -9.770 3.188 1.987 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -10.442 4.053 0.585 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -7.894 5.637 -0.031 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -9.518 6.365 0.005 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -8.217 7.043 1.011 1.00 1.89 H new ATOM 708 N LYS A 64 -11.112 8.010 5.098 1.00 0.89 N ATOM 709 CA LYS A 64 -12.130 8.939 5.575 1.00 1.05 C ATOM 710 C LYS A 64 -11.616 10.370 5.444 1.00 1.03 C ATOM 711 O LYS A 64 -12.358 11.283 5.083 1.00 1.13 O ATOM 712 CB LYS A 64 -12.502 8.641 7.030 1.00 1.22 C ATOM 713 CG LYS A 64 -13.590 9.551 7.582 1.00 1.64 C ATOM 714 CD LYS A 64 -14.002 9.171 9.002 1.00 2.17 C ATOM 715 CE LYS A 64 -12.950 9.546 10.044 1.00 2.87 C ATOM 716 NZ LYS A 64 -11.781 8.624 10.048 1.00 3.41 N ATOM 0 H LYS A 64 -10.688 7.432 5.824 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.026 8.819 4.967 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -12.834 7.605 7.106 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -11.611 8.737 7.651 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -13.237 10.582 7.573 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -14.462 9.507 6.930 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -14.942 9.665 9.247 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -14.185 8.097 9.047 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -12.604 10.562 9.854 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -13.409 9.546 11.032 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -11.561 8.347 11.026 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -12.006 7.775 9.490 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -10.959 9.104 9.630 1.00 3.41 H new ATOM 730 N SER A 65 -10.333 10.548 5.729 1.00 0.97 N ATOM 731 CA SER A 65 -9.691 11.850 5.569 1.00 1.06 C ATOM 732 C SER A 65 -9.275 12.052 4.109 1.00 1.03 C ATOM 733 O SER A 65 -9.344 13.159 3.574 1.00 1.13 O ATOM 734 CB SER A 65 -8.478 11.973 6.508 1.00 1.18 C ATOM 735 OG SER A 65 -7.767 13.181 6.291 1.00 1.65 O ATOM 0 H SER A 65 -9.716 9.811 6.071 1.00 0.97 H new ATOM 0 HA SER A 65 -10.403 12.630 5.837 1.00 1.06 H new ATOM 0 HB2 SER A 65 -8.814 11.930 7.544 1.00 1.18 H new ATOM 0 HB3 SER A 65 -7.811 11.125 6.353 1.00 1.18 H new ATOM 0 HG SER A 65 -7.005 13.227 6.905 1.00 1.65 H new ATOM 741 N LEU A 66 -8.865 10.967 3.466 1.00 0.97 N ATOM 742 CA LEU A 66 -8.478 10.991 2.058 1.00 1.05 C ATOM 743 C LEU A 66 -9.675 10.630 1.176 1.00 1.20 C ATOM 744 O LEU A 66 -9.536 9.940 0.167 1.00 1.55 O ATOM 745 CB LEU A 66 -7.292 10.038 1.792 1.00 1.00 C ATOM 746 CG LEU A 66 -5.905 10.525 2.260 1.00 1.09 C ATOM 747 CD1 LEU A 66 -5.870 10.765 3.762 1.00 1.72 C ATOM 748 CD2 LEU A 66 -4.831 9.523 1.870 1.00 1.38 C ATOM 0 H LEU A 66 -8.791 10.048 3.902 1.00 0.97 H new ATOM 0 HA LEU A 66 -8.153 12.001 1.808 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -7.502 9.086 2.279 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.243 9.844 0.721 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.708 11.475 1.763 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.877 11.107 4.053 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -6.607 11.523 4.027 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.101 9.837 4.284 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -3.859 9.882 2.208 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -5.044 8.561 2.336 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -4.818 9.406 0.786 1.00 1.38 H new ATOM 760 N GLY A 67 -10.855 11.074 1.606 1.00 1.07 N ATOM 761 CA GLY A 67 -12.101 10.806 0.887 1.00 1.26 C ATOM 762 C GLY A 67 -12.085 11.245 -0.573 1.00 1.22 C ATOM 763 O GLY A 67 -12.459 10.455 -1.444 1.00 1.28 O ATOM 0 H GLY A 67 -10.975 11.625 2.456 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.311 9.737 0.931 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -12.919 11.313 1.399 1.00 1.26 H new ATOM 767 N PRO A 68 -11.714 12.516 -0.870 1.00 1.24 N ATOM 768 CA PRO A 68 -11.508 13.012 -2.245 1.00 1.29 C ATOM 769 C PRO A 68 -10.799 12.006 -3.165 1.00 1.15 C ATOM 770 O PRO A 68 -10.191 11.048 -2.696 1.00 0.99 O ATOM 771 CB PRO A 68 -10.615 14.229 -2.019 1.00 1.41 C ATOM 772 CG PRO A 68 -11.038 14.772 -0.700 1.00 1.56 C ATOM 773 CD PRO A 68 -11.519 13.598 0.119 1.00 1.35 C ATOM 0 HA PRO A 68 -12.454 13.214 -2.747 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -9.561 13.950 -2.012 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -10.745 14.967 -2.811 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -10.208 15.275 -0.204 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -11.831 15.510 -0.822 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -10.788 13.316 0.877 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -12.447 13.831 0.641 1.00 1.35 H new ATOM 781 N PRO A 69 -10.878 12.214 -4.498 1.00 1.30 N ATOM 782 CA PRO A 69 -10.234 11.333 -5.484 1.00 1.26 C ATOM 783 C PRO A 69 -8.775 11.055 -5.132 1.00 1.05 C ATOM 784 O PRO A 69 -7.915 11.928 -5.261 1.00 1.17 O ATOM 785 CB PRO A 69 -10.332 12.143 -6.790 1.00 1.53 C ATOM 786 CG PRO A 69 -11.556 12.972 -6.611 1.00 1.89 C ATOM 787 CD PRO A 69 -11.605 13.323 -5.148 1.00 1.58 C ATOM 0 HA PRO A 69 -10.707 10.352 -5.539 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -9.449 12.763 -6.942 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -10.416 11.490 -7.659 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -11.513 13.870 -7.227 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -12.448 12.422 -6.911 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -11.130 14.284 -4.950 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -12.631 13.395 -4.788 1.00 1.58 H new ATOM 795 N VAL A 70 -8.513 9.841 -4.673 1.00 0.85 N ATOM 796 CA VAL A 70 -7.193 9.467 -4.195 1.00 0.67 C ATOM 797 C VAL A 70 -6.733 8.167 -4.836 1.00 0.60 C ATOM 798 O VAL A 70 -7.515 7.224 -4.987 1.00 0.66 O ATOM 799 CB VAL A 70 -7.187 9.330 -2.652 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.959 8.579 -2.158 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.252 10.706 -2.009 1.00 1.08 C ATOM 0 H VAL A 70 -9.204 9.093 -4.622 1.00 0.85 H new ATOM 0 HA VAL A 70 -6.499 10.258 -4.478 1.00 0.67 H new ATOM 0 HB VAL A 70 -8.065 8.752 -2.365 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.991 8.504 -1.071 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.946 7.579 -2.591 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.059 9.116 -2.458 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.247 10.601 -0.924 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -6.389 11.294 -2.320 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.166 11.211 -2.321 1.00 1.08 H new ATOM 811 N LYS A 71 -5.464 8.128 -5.210 1.00 0.55 N ATOM 812 CA LYS A 71 -4.882 6.957 -5.845 1.00 0.54 C ATOM 813 C LYS A 71 -4.405 5.981 -4.781 1.00 0.43 C ATOM 814 O LYS A 71 -3.771 6.385 -3.804 1.00 0.41 O ATOM 815 CB LYS A 71 -3.715 7.363 -6.750 1.00 0.65 C ATOM 816 CG LYS A 71 -4.072 8.435 -7.766 1.00 1.27 C ATOM 817 CD LYS A 71 -2.899 8.749 -8.681 1.00 1.74 C ATOM 818 CE LYS A 71 -3.210 9.913 -9.612 1.00 2.14 C ATOM 819 NZ LYS A 71 -4.395 9.649 -10.470 1.00 2.53 N ATOM 0 H LYS A 71 -4.812 8.902 -5.083 1.00 0.55 H new ATOM 0 HA LYS A 71 -5.642 6.474 -6.459 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -2.894 7.722 -6.130 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.353 6.481 -7.278 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -4.922 8.103 -8.363 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -4.382 9.342 -7.246 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -2.022 8.988 -8.080 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -2.651 7.867 -9.271 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -3.386 10.811 -9.020 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -2.344 10.111 -10.244 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -4.487 10.406 -11.177 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -4.277 8.736 -10.954 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -5.251 9.620 -9.880 1.00 2.53 H new ATOM 833 N ILE A 72 -4.727 4.711 -4.951 1.00 0.45 N ATOM 834 CA ILE A 72 -4.326 3.704 -3.987 1.00 0.43 C ATOM 835 C ILE A 72 -3.259 2.786 -4.571 1.00 0.41 C ATOM 836 O ILE A 72 -3.537 1.941 -5.429 1.00 0.50 O ATOM 837 CB ILE A 72 -5.524 2.863 -3.498 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.651 3.780 -3.007 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.085 1.921 -2.382 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.902 3.038 -2.588 1.00 1.00 C ATOM 0 H ILE A 72 -5.262 4.355 -5.743 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.913 4.235 -3.130 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.897 2.268 -4.331 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -6.288 4.367 -2.163 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.905 4.484 -3.799 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.939 1.333 -2.045 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.308 1.253 -2.754 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.694 2.503 -1.548 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.654 3.753 -2.253 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -8.291 2.473 -3.435 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -7.664 2.354 -1.774 1.00 1.00 H new ATOM 852 N LEU A 73 -2.036 2.979 -4.113 1.00 0.37 N ATOM 853 CA LEU A 73 -0.914 2.143 -4.504 1.00 0.37 C ATOM 854 C LEU A 73 -0.811 0.958 -3.554 1.00 0.37 C ATOM 855 O LEU A 73 -0.805 1.137 -2.342 1.00 0.46 O ATOM 856 CB LEU A 73 0.378 2.967 -4.475 1.00 0.43 C ATOM 857 CG LEU A 73 1.681 2.162 -4.566 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.939 1.694 -5.990 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.861 2.973 -4.042 1.00 1.22 C ATOM 0 H LEU A 73 -1.791 3.721 -3.458 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.068 1.771 -5.517 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.353 3.678 -5.301 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.396 3.549 -3.554 1.00 0.43 H new ATOM 0 HG LEU A 73 1.570 1.279 -3.937 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.869 1.126 -6.024 1.00 1.06 H new ATOM 0 HD12 LEU A 73 1.115 1.061 -6.320 1.00 1.06 H new ATOM 0 HD13 LEU A 73 2.018 2.559 -6.649 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.772 2.380 -4.117 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.969 3.882 -4.634 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.686 3.238 -2.999 1.00 1.22 H new ATOM 871 N VAL A 74 -0.753 -0.246 -4.092 1.00 0.40 N ATOM 872 CA VAL A 74 -0.685 -1.434 -3.257 1.00 0.40 C ATOM 873 C VAL A 74 0.595 -2.217 -3.523 1.00 0.39 C ATOM 874 O VAL A 74 0.826 -2.690 -4.632 1.00 0.47 O ATOM 875 CB VAL A 74 -1.906 -2.352 -3.482 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.843 -3.577 -2.580 1.00 1.30 C ATOM 877 CG2 VAL A 74 -3.200 -1.587 -3.255 1.00 1.16 C ATOM 0 H VAL A 74 -0.751 -0.428 -5.096 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.688 -1.097 -2.220 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.884 -2.694 -4.517 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.715 -4.206 -2.759 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.937 -4.142 -2.797 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.832 -3.261 -1.537 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -4.049 -2.251 -3.418 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -3.225 -1.210 -2.232 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -3.255 -0.750 -3.951 1.00 1.16 H new ATOM 887 N LEU A 75 1.424 -2.340 -2.501 1.00 0.38 N ATOM 888 CA LEU A 75 2.650 -3.123 -2.584 1.00 0.38 C ATOM 889 C LEU A 75 2.475 -4.430 -1.831 1.00 0.35 C ATOM 890 O LEU A 75 2.169 -4.435 -0.638 1.00 0.43 O ATOM 891 CB LEU A 75 3.844 -2.350 -2.008 1.00 0.48 C ATOM 892 CG LEU A 75 4.633 -1.478 -2.999 1.00 0.80 C ATOM 893 CD1 LEU A 75 3.722 -0.539 -3.774 1.00 1.67 C ATOM 894 CD2 LEU A 75 5.700 -0.687 -2.262 1.00 1.65 C ATOM 0 H LEU A 75 1.269 -1.903 -1.593 1.00 0.38 H new ATOM 0 HA LEU A 75 2.852 -3.327 -3.635 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.482 -1.711 -1.203 1.00 0.48 H new ATOM 0 HB3 LEU A 75 4.532 -3.067 -1.560 1.00 0.48 H new ATOM 0 HG LEU A 75 5.109 -2.142 -3.720 1.00 0.80 H new ATOM 0 HD11 LEU A 75 4.318 0.059 -4.463 1.00 1.67 H new ATOM 0 HD12 LEU A 75 2.993 -1.122 -4.337 1.00 1.67 H new ATOM 0 HD13 LEU A 75 3.202 0.119 -3.078 1.00 1.67 H new ATOM 0 HD21 LEU A 75 6.253 -0.073 -2.972 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.228 -0.045 -1.518 1.00 1.65 H new ATOM 0 HD23 LEU A 75 6.385 -1.375 -1.766 1.00 1.65 H new ATOM 906 N LEU A 76 2.661 -5.536 -2.527 1.00 0.34 N ATOM 907 CA LEU A 76 2.497 -6.844 -1.917 1.00 0.42 C ATOM 908 C LEU A 76 3.762 -7.671 -2.059 1.00 0.41 C ATOM 909 O LEU A 76 4.424 -7.649 -3.093 1.00 0.48 O ATOM 910 CB LEU A 76 1.314 -7.590 -2.537 1.00 0.55 C ATOM 911 CG LEU A 76 -0.065 -6.991 -2.243 1.00 1.09 C ATOM 912 CD1 LEU A 76 -1.151 -7.791 -2.941 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.326 -6.950 -0.744 1.00 1.76 C ATOM 0 H LEU A 76 2.925 -5.556 -3.512 1.00 0.34 H new ATOM 0 HA LEU A 76 2.297 -6.692 -0.856 1.00 0.42 H new ATOM 0 HB2 LEU A 76 1.454 -7.625 -3.617 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.328 -8.620 -2.180 1.00 0.55 H new ATOM 0 HG LEU A 76 -0.081 -5.970 -2.625 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -2.124 -7.352 -2.722 1.00 1.52 H new ATOM 0 HD12 LEU A 76 -0.980 -7.775 -4.017 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -1.129 -8.821 -2.586 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -1.311 -6.521 -0.558 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.289 -7.962 -0.340 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.434 -6.338 -0.259 1.00 1.76 H new ATOM 925 N GLU A 77 4.090 -8.383 -1.004 1.00 0.46 N ATOM 926 CA GLU A 77 5.218 -9.293 -1.001 1.00 0.49 C ATOM 927 C GLU A 77 4.709 -10.696 -1.326 1.00 0.49 C ATOM 928 O GLU A 77 3.575 -11.030 -0.988 1.00 0.59 O ATOM 929 CB GLU A 77 5.868 -9.251 0.382 1.00 0.61 C ATOM 930 CG GLU A 77 7.043 -10.187 0.581 1.00 0.63 C ATOM 931 CD GLU A 77 7.614 -10.075 1.979 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.682 -9.455 2.140 1.00 1.71 O ATOM 933 OE2 GLU A 77 6.983 -10.591 2.928 1.00 1.74 O ATOM 0 H GLU A 77 3.582 -8.348 -0.120 1.00 0.46 H new ATOM 0 HA GLU A 77 5.960 -9.008 -1.747 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.201 -8.232 0.576 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.109 -9.486 1.128 1.00 0.61 H new ATOM 0 HG2 GLU A 77 6.726 -11.214 0.398 1.00 0.63 H new ATOM 0 HG3 GLU A 77 7.819 -9.958 -0.149 1.00 0.63 H new ATOM 940 N ASP A 78 5.512 -11.517 -1.988 1.00 0.54 N ATOM 941 CA ASP A 78 5.052 -12.854 -2.354 1.00 0.61 C ATOM 942 C ASP A 78 5.429 -13.877 -1.297 1.00 0.63 C ATOM 943 O ASP A 78 6.475 -14.524 -1.389 1.00 0.72 O ATOM 944 CB ASP A 78 5.626 -13.293 -3.704 1.00 0.77 C ATOM 945 CG ASP A 78 4.925 -12.660 -4.884 1.00 1.06 C ATOM 946 OD1 ASP A 78 3.918 -13.233 -5.362 1.00 1.59 O ATOM 947 OD2 ASP A 78 5.389 -11.604 -5.358 1.00 1.85 O ATOM 0 H ASP A 78 6.463 -11.291 -2.278 1.00 0.54 H new ATOM 0 HA ASP A 78 3.966 -12.802 -2.429 1.00 0.61 H new ATOM 0 HB2 ASP A 78 6.686 -13.040 -3.741 1.00 0.77 H new ATOM 0 HB3 ASP A 78 5.555 -14.378 -3.786 1.00 0.77 H new ATOM 952 N THR A 79 4.582 -14.013 -0.292 1.00 0.61 N ATOM 953 CA THR A 79 4.722 -15.075 0.688 1.00 0.72 C ATOM 954 C THR A 79 3.557 -16.057 0.574 1.00 0.78 C ATOM 955 O THR A 79 2.776 -15.992 -0.378 1.00 0.84 O ATOM 956 CB THR A 79 4.815 -14.521 2.125 1.00 0.77 C ATOM 957 OG1 THR A 79 3.691 -13.681 2.409 1.00 1.04 O ATOM 958 CG2 THR A 79 6.102 -13.733 2.317 1.00 1.20 C ATOM 0 H THR A 79 3.785 -13.397 -0.133 1.00 0.61 H new ATOM 0 HA THR A 79 5.655 -15.598 0.476 1.00 0.72 H new ATOM 0 HB THR A 79 4.814 -15.366 2.813 1.00 0.77 H new ATOM 0 HG1 THR A 79 3.762 -13.338 3.324 1.00 1.04 H new ATOM 0 HG21 THR A 79 6.146 -13.352 3.337 1.00 1.20 H new ATOM 0 HG22 THR A 79 6.957 -14.384 2.135 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.126 -12.898 1.616 1.00 1.20 H new ATOM 966 N LYS A 80 3.440 -16.959 1.536 1.00 0.84 N ATOM 967 CA LYS A 80 2.365 -17.940 1.539 1.00 0.92 C ATOM 968 C LYS A 80 1.015 -17.281 1.829 1.00 0.88 C ATOM 969 O LYS A 80 0.057 -17.445 1.072 1.00 0.90 O ATOM 970 CB LYS A 80 2.649 -19.024 2.581 1.00 1.09 C ATOM 971 CG LYS A 80 1.557 -20.077 2.683 1.00 1.65 C ATOM 972 CD LYS A 80 1.854 -21.094 3.773 1.00 2.05 C ATOM 973 CE LYS A 80 1.892 -20.454 5.152 1.00 3.00 C ATOM 974 NZ LYS A 80 2.100 -21.461 6.224 1.00 3.57 N ATOM 0 H LYS A 80 4.079 -17.032 2.328 1.00 0.84 H new ATOM 0 HA LYS A 80 2.317 -18.392 0.548 1.00 0.92 H new ATOM 0 HB2 LYS A 80 3.591 -19.514 2.335 1.00 1.09 H new ATOM 0 HB3 LYS A 80 2.779 -18.553 3.555 1.00 1.09 H new ATOM 0 HG2 LYS A 80 0.603 -19.592 2.888 1.00 1.65 H new ATOM 0 HG3 LYS A 80 1.455 -20.589 1.726 1.00 1.65 H new ATOM 0 HD2 LYS A 80 1.095 -21.876 3.757 1.00 2.05 H new ATOM 0 HD3 LYS A 80 2.811 -21.575 3.570 1.00 2.05 H new ATOM 0 HE2 LYS A 80 2.693 -19.715 5.187 1.00 3.00 H new ATOM 0 HE3 LYS A 80 0.958 -19.921 5.331 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 2.120 -20.985 7.148 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 1.323 -22.152 6.207 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 3.003 -21.952 6.068 1.00 3.57 H new ATOM 988 N ASP A 81 0.957 -16.516 2.910 1.00 0.90 N ATOM 989 CA ASP A 81 -0.304 -15.934 3.378 1.00 0.93 C ATOM 990 C ASP A 81 -0.648 -14.671 2.593 1.00 0.83 C ATOM 991 O ASP A 81 -1.814 -14.301 2.477 1.00 0.82 O ATOM 992 CB ASP A 81 -0.246 -15.630 4.883 1.00 1.08 C ATOM 993 CG ASP A 81 -1.524 -14.995 5.407 1.00 1.46 C ATOM 994 OD1 ASP A 81 -1.521 -13.778 5.676 1.00 2.24 O ATOM 995 OD2 ASP A 81 -2.531 -15.720 5.563 1.00 2.00 O ATOM 0 H ASP A 81 1.767 -16.281 3.484 1.00 0.90 H new ATOM 0 HA ASP A 81 -1.091 -16.669 3.207 1.00 0.93 H new ATOM 0 HB2 ASP A 81 -0.055 -16.554 5.428 1.00 1.08 H new ATOM 0 HB3 ASP A 81 0.593 -14.963 5.082 1.00 1.08 H new ATOM 1000 N ALA A 82 0.374 -14.029 2.036 1.00 0.82 N ATOM 1001 CA ALA A 82 0.194 -12.782 1.295 1.00 0.82 C ATOM 1002 C ALA A 82 -0.744 -12.949 0.101 1.00 0.82 C ATOM 1003 O ALA A 82 -1.367 -11.985 -0.346 1.00 0.84 O ATOM 1004 CB ALA A 82 1.531 -12.247 0.827 1.00 0.97 C ATOM 0 H ALA A 82 1.340 -14.352 2.083 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.265 -12.068 1.979 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.379 -11.318 0.277 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.169 -12.057 1.690 1.00 0.97 H new ATOM 0 HB3 ALA A 82 2.009 -12.980 0.177 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.852 -14.171 -0.410 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.737 -14.441 -1.539 1.00 1.03 C ATOM 1012 C ASP A 83 -3.179 -14.307 -1.087 1.00 0.98 C ATOM 1013 O ASP A 83 -4.056 -13.876 -1.841 1.00 1.03 O ATOM 1014 CB ASP A 83 -1.489 -15.840 -2.108 1.00 1.27 C ATOM 1015 CG ASP A 83 -2.479 -16.198 -3.201 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -2.221 -15.873 -4.377 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -3.522 -16.807 -2.890 1.00 2.33 O ATOM 0 H ASP A 83 -0.343 -14.984 -0.064 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.531 -13.718 -2.328 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -0.476 -15.894 -2.506 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.556 -16.574 -1.305 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.403 -14.651 0.169 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.706 -14.529 0.782 1.00 1.04 C ATOM 1024 C LYS A 84 -5.022 -13.068 1.048 1.00 0.94 C ATOM 1025 O LYS A 84 -6.154 -12.627 0.857 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.745 -15.329 2.083 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.652 -16.835 1.880 1.00 1.67 C ATOM 1028 CD LYS A 84 -5.855 -17.383 1.122 1.00 2.01 C ATOM 1029 CE LYS A 84 -7.149 -17.145 1.883 1.00 2.47 C ATOM 1030 NZ LYS A 84 -8.325 -17.714 1.180 1.00 3.21 N ATOM 0 H LYS A 84 -2.684 -15.023 0.790 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.459 -14.928 0.103 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.923 -15.006 2.722 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.670 -15.099 2.613 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -3.740 -17.072 1.332 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -4.579 -17.328 2.849 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -5.916 -16.909 0.142 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -5.723 -18.452 0.952 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -7.072 -17.588 2.876 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -7.295 -16.074 2.023 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -9.185 -17.528 1.735 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -8.416 -17.273 0.243 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -8.200 -18.740 1.069 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.008 -12.313 1.469 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.173 -10.883 1.693 1.00 0.77 C ATOM 1046 C VAL A 85 -4.531 -10.202 0.379 1.00 0.68 C ATOM 1047 O VAL A 85 -5.358 -9.294 0.353 1.00 0.75 O ATOM 1048 CB VAL A 85 -2.903 -10.210 2.289 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.245 -8.846 2.869 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.226 -11.086 3.345 1.00 1.16 C ATOM 0 H VAL A 85 -3.071 -12.667 1.660 1.00 0.80 H new ATOM 0 HA VAL A 85 -4.973 -10.766 2.423 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.193 -10.081 1.472 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.345 -8.390 3.281 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.648 -8.207 2.083 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -3.987 -8.962 3.659 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.345 -10.574 3.732 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -2.923 -11.276 4.161 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -1.927 -12.033 2.895 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.933 -10.665 -0.720 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.266 -10.139 -2.033 1.00 0.59 C ATOM 1062 C LYS A 86 -5.733 -10.391 -2.336 1.00 0.69 C ATOM 1063 O LYS A 86 -6.491 -9.457 -2.555 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.402 -10.774 -3.125 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.847 -10.404 -4.536 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.995 -11.089 -5.587 1.00 1.07 C ATOM 1067 CE LYS A 86 -3.572 -10.925 -6.989 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.680 -9.500 -7.405 1.00 2.30 N ATOM 0 H LYS A 86 -3.222 -11.397 -0.722 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.070 -9.067 -2.022 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.366 -10.465 -2.985 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.429 -11.858 -3.015 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.891 -10.684 -4.674 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.787 -9.323 -4.666 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.986 -10.677 -5.560 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -2.913 -12.150 -5.351 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -2.943 -11.460 -7.701 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -4.559 -11.386 -7.027 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.678 -9.440 -8.443 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -4.565 -9.097 -7.037 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -2.872 -8.966 -7.026 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.125 -11.659 -2.313 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.486 -12.051 -2.654 1.00 0.89 C ATOM 1084 C LYS A 87 -8.517 -11.320 -1.800 1.00 0.88 C ATOM 1085 O LYS A 87 -9.494 -10.792 -2.323 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.657 -13.563 -2.510 1.00 1.06 C ATOM 1087 CG LYS A 87 -6.961 -14.354 -3.604 1.00 1.85 C ATOM 1088 CD LYS A 87 -7.108 -15.851 -3.394 1.00 2.29 C ATOM 1089 CE LYS A 87 -6.583 -16.634 -4.589 1.00 3.21 C ATOM 1090 NZ LYS A 87 -5.171 -16.293 -4.906 1.00 3.93 N ATOM 0 H LYS A 87 -5.515 -12.437 -2.060 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.657 -11.769 -3.693 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.267 -13.875 -1.541 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -8.720 -13.804 -2.518 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -7.378 -14.080 -4.573 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -5.903 -14.092 -3.626 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -6.567 -16.149 -2.496 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -8.157 -16.095 -3.230 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -6.660 -17.702 -4.384 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -7.208 -16.430 -5.458 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -4.812 -16.942 -5.635 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -5.120 -15.316 -5.258 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -4.591 -16.382 -4.047 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.288 -11.266 -0.497 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.235 -10.633 0.405 1.00 0.98 C ATOM 1106 C GLU A 88 -9.294 -9.128 0.169 1.00 0.96 C ATOM 1107 O GLU A 88 -10.371 -8.570 -0.043 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.878 -10.923 1.863 1.00 1.06 C ATOM 1109 CG GLU A 88 -9.027 -12.383 2.248 1.00 1.16 C ATOM 1110 CD GLU A 88 -8.815 -12.617 3.728 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -9.782 -12.460 4.506 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -7.685 -12.961 4.128 1.00 2.58 O ATOM 0 H GLU A 88 -7.459 -11.651 -0.043 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.219 -11.054 0.198 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.849 -10.611 2.045 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.513 -10.319 2.511 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -10.022 -12.730 1.968 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.311 -12.979 1.683 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.142 -8.473 0.206 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.079 -7.024 0.029 1.00 0.93 C ATOM 1121 C ILE A 89 -8.574 -6.620 -1.358 1.00 0.87 C ATOM 1122 O ILE A 89 -9.318 -5.656 -1.499 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.642 -6.484 0.242 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -6.202 -6.664 1.702 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.542 -5.020 -0.167 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -7.013 -5.861 2.698 1.00 1.17 C ATOM 0 H ILE A 89 -7.237 -8.919 0.357 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.730 -6.584 0.784 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.971 -7.062 -0.394 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -6.270 -7.720 1.963 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -5.153 -6.380 1.791 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.523 -4.666 -0.007 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.800 -4.918 -1.221 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.231 -4.426 0.434 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.638 -6.045 3.705 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.926 -4.799 2.466 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -8.060 -6.160 2.640 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.201 -7.397 -2.363 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.505 -7.054 -3.758 1.00 0.79 C ATOM 1140 C GLU A 90 -10.007 -7.132 -4.013 1.00 0.79 C ATOM 1141 O GLU A 90 -10.597 -6.224 -4.603 1.00 0.79 O ATOM 1142 CB GLU A 90 -7.744 -7.973 -4.733 1.00 0.83 C ATOM 1143 CG GLU A 90 -8.023 -7.710 -6.199 1.00 1.35 C ATOM 1144 CD GLU A 90 -7.104 -8.509 -7.097 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -7.535 -9.555 -7.624 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -5.936 -8.104 -7.272 1.00 2.08 O ATOM 0 H GLU A 90 -7.687 -8.270 -2.247 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.175 -6.030 -3.932 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -6.674 -7.862 -4.555 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -7.999 -9.009 -4.509 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -9.060 -7.962 -6.423 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -7.901 -6.647 -6.407 1.00 1.35 H new ATOM 1153 N LYS A 91 -10.625 -8.209 -3.542 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.060 -8.396 -3.709 1.00 0.93 C ATOM 1155 C LYS A 91 -12.839 -7.355 -2.922 1.00 0.96 C ATOM 1156 O LYS A 91 -13.799 -6.778 -3.430 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.482 -9.798 -3.264 1.00 1.11 C ATOM 1158 CG LYS A 91 -11.906 -10.908 -4.125 1.00 1.66 C ATOM 1159 CD LYS A 91 -12.266 -12.278 -3.578 1.00 1.93 C ATOM 1160 CE LYS A 91 -11.616 -13.387 -4.386 1.00 2.60 C ATOM 1161 NZ LYS A 91 -12.042 -13.359 -5.810 1.00 3.12 N ATOM 0 H LYS A 91 -10.155 -8.964 -3.043 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.286 -8.278 -4.769 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.170 -9.952 -2.231 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -13.570 -9.864 -3.281 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -12.281 -10.812 -5.144 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -10.822 -10.807 -4.173 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -11.949 -12.350 -2.538 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -13.349 -12.403 -3.591 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -10.532 -13.290 -4.330 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -11.872 -14.352 -3.949 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -11.730 -14.231 -6.283 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -13.078 -13.290 -5.861 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -11.616 -12.537 -6.284 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.412 -7.105 -1.690 1.00 1.03 N ATOM 1176 CA LYS A 92 -13.112 -6.173 -0.816 1.00 1.17 C ATOM 1177 C LYS A 92 -12.932 -4.730 -1.277 1.00 1.08 C ATOM 1178 O LYS A 92 -13.874 -3.941 -1.223 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.654 -6.335 0.636 1.00 1.37 C ATOM 1180 CG LYS A 92 -13.141 -7.630 1.273 1.00 1.59 C ATOM 1181 CD LYS A 92 -12.827 -7.700 2.763 1.00 1.81 C ATOM 1182 CE LYS A 92 -11.466 -8.328 3.047 1.00 2.18 C ATOM 1183 NZ LYS A 92 -10.332 -7.490 2.578 1.00 2.41 N ATOM 0 H LYS A 92 -11.585 -7.534 -1.274 1.00 1.03 H new ATOM 0 HA LYS A 92 -14.174 -6.410 -0.871 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -11.565 -6.305 0.673 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -13.016 -5.490 1.222 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -14.217 -7.721 1.127 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -12.678 -8.477 0.767 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -12.854 -6.695 3.184 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -13.602 -8.278 3.267 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -11.367 -8.497 4.119 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -11.414 -9.304 2.564 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -9.451 -7.816 3.025 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -10.246 -7.569 1.545 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -10.504 -6.497 2.836 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.736 -4.391 -1.743 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.471 -3.043 -2.230 1.00 0.99 C ATOM 1199 C ALA A 93 -12.297 -2.751 -3.476 1.00 0.90 C ATOM 1200 O ALA A 93 -12.947 -1.710 -3.575 1.00 0.98 O ATOM 1201 CB ALA A 93 -9.990 -2.852 -2.520 1.00 1.01 C ATOM 0 H ALA A 93 -10.939 -5.026 -1.794 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.760 -2.340 -1.449 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -9.818 -1.838 -2.882 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.417 -3.013 -1.607 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -9.673 -3.567 -3.279 1.00 1.01 H new ATOM 1207 N ARG A 94 -12.286 -3.683 -4.422 1.00 0.82 N ATOM 1208 CA ARG A 94 -13.059 -3.529 -5.648 1.00 0.85 C ATOM 1209 C ARG A 94 -14.552 -3.500 -5.335 1.00 0.86 C ATOM 1210 O ARG A 94 -15.317 -2.771 -5.967 1.00 0.92 O ATOM 1211 CB ARG A 94 -12.747 -4.661 -6.632 1.00 0.93 C ATOM 1212 CG ARG A 94 -13.406 -4.480 -7.989 1.00 1.31 C ATOM 1213 CD ARG A 94 -13.011 -5.583 -8.953 1.00 1.63 C ATOM 1214 NE ARG A 94 -13.607 -5.388 -10.273 1.00 2.21 N ATOM 1215 CZ ARG A 94 -13.102 -5.878 -11.403 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -12.003 -6.624 -11.382 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -13.702 -5.623 -12.558 1.00 3.67 N ATOM 0 H ARG A 94 -11.752 -4.550 -4.364 1.00 0.82 H new ATOM 0 HA ARG A 94 -12.779 -2.583 -6.111 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -11.667 -4.728 -6.767 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -13.074 -5.607 -6.201 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -14.489 -4.471 -7.870 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -13.123 -3.513 -8.406 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -11.925 -5.614 -9.045 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -13.324 -6.547 -8.551 1.00 1.63 H new ATOM 0 HE ARG A 94 -14.466 -4.841 -10.332 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -11.540 -6.825 -10.496 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -11.622 -6.996 -12.252 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -14.548 -5.053 -12.578 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -13.318 -5.997 -13.426 1.00 3.67 H new ATOM 1231 N LYS A 95 -14.949 -4.269 -4.326 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.345 -4.345 -3.905 1.00 1.02 C ATOM 1233 C LYS A 95 -16.779 -3.034 -3.254 1.00 1.02 C ATOM 1234 O LYS A 95 -17.969 -2.780 -3.068 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.533 -5.507 -2.922 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.984 -5.805 -2.576 1.00 1.55 C ATOM 1237 CD LYS A 95 -18.099 -6.924 -1.548 1.00 2.10 C ATOM 1238 CE LYS A 95 -17.487 -8.223 -2.052 1.00 2.52 C ATOM 1239 NZ LYS A 95 -17.670 -9.338 -1.084 1.00 3.34 N ATOM 0 H LYS A 95 -14.317 -4.854 -3.780 1.00 0.90 H new ATOM 0 HA LYS A 95 -16.965 -4.518 -4.785 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.081 -6.404 -3.347 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -15.991 -5.282 -2.003 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -18.458 -4.904 -2.188 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -18.524 -6.085 -3.481 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -17.602 -6.622 -0.626 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -19.149 -7.088 -1.305 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -17.942 -8.492 -3.005 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -16.423 -8.075 -2.237 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -17.239 -10.204 -1.466 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -17.214 -9.093 -0.182 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -18.685 -9.498 -0.926 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.808 -2.195 -2.932 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.085 -0.934 -2.256 1.00 1.03 C ATOM 1255 C LYS A 96 -15.684 0.222 -3.170 1.00 0.96 C ATOM 1256 O LYS A 96 -15.507 1.360 -2.732 1.00 1.07 O ATOM 1257 CB LYS A 96 -15.353 -0.873 -0.898 1.00 1.15 C ATOM 1258 CG LYS A 96 -15.754 0.297 -0.015 1.00 1.29 C ATOM 1259 CD LYS A 96 -15.052 0.221 1.331 1.00 1.68 C ATOM 1260 CE LYS A 96 -15.584 1.258 2.306 1.00 1.78 C ATOM 1261 NZ LYS A 96 -14.893 1.174 3.620 1.00 2.17 N ATOM 0 H LYS A 96 -14.821 -2.362 -3.127 1.00 0.97 H new ATOM 0 HA LYS A 96 -17.152 -0.855 -2.046 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -15.541 -1.800 -0.357 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.280 -0.822 -1.081 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -15.502 1.235 -0.510 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -16.834 0.294 0.132 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -15.183 -0.775 1.753 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -13.981 0.370 1.191 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -15.451 2.255 1.887 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -16.655 1.111 2.447 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -15.548 1.460 4.376 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -14.579 0.196 3.785 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -14.068 1.807 3.620 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.558 -0.099 -4.458 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.254 0.883 -5.500 1.00 0.86 C ATOM 1277 C ASN A 97 -13.934 1.594 -5.230 1.00 0.87 C ATOM 1278 O ASN A 97 -13.845 2.817 -5.319 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.383 1.914 -5.631 1.00 0.97 C ATOM 1280 CG ASN A 97 -17.685 1.307 -6.115 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -17.920 1.190 -7.318 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -18.550 0.935 -5.184 1.00 2.33 N ATOM 0 H ASN A 97 -15.664 -1.051 -4.809 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.164 0.337 -6.439 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -16.547 2.390 -4.664 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.074 2.697 -6.323 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -19.449 0.535 -5.454 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -18.318 1.048 -4.197 1.00 2.33 H new ATOM 1289 N LEU A 98 -12.911 0.825 -4.906 1.00 0.78 N ATOM 1290 CA LEU A 98 -11.597 1.385 -4.642 1.00 0.84 C ATOM 1291 C LEU A 98 -10.592 0.872 -5.665 1.00 0.71 C ATOM 1292 O LEU A 98 -10.282 -0.322 -5.700 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.131 1.028 -3.226 1.00 1.00 C ATOM 1294 CG LEU A 98 -11.968 1.615 -2.079 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.425 1.148 -0.738 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -11.993 3.137 -2.140 1.00 2.08 C ATOM 0 H LEU A 98 -12.964 -0.190 -4.819 1.00 0.78 H new ATOM 0 HA LEU A 98 -11.664 2.470 -4.722 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -11.126 -0.058 -3.128 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -10.101 1.363 -3.107 1.00 1.00 H new ATOM 0 HG LEU A 98 -12.992 1.257 -2.189 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -12.027 1.571 0.066 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.466 0.060 -0.688 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -10.392 1.477 -0.629 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -12.593 3.524 -1.316 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -10.976 3.521 -2.061 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -12.428 3.456 -3.087 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.100 1.758 -6.544 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.063 1.407 -7.511 1.00 0.85 C ATOM 1310 C PRO A 99 -7.730 1.150 -6.823 1.00 0.70 C ATOM 1311 O PRO A 99 -7.170 2.040 -6.180 1.00 0.77 O ATOM 1312 CB PRO A 99 -8.969 2.639 -8.423 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.177 3.459 -8.111 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.521 3.158 -6.682 1.00 1.10 C ATOM 0 HA PRO A 99 -9.301 0.493 -8.055 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.054 3.200 -8.232 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -8.952 2.349 -9.474 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -9.974 4.521 -8.248 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.004 3.204 -8.774 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -9.990 3.812 -5.990 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.586 3.283 -6.486 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.224 -0.065 -6.957 1.00 0.58 N ATOM 1323 CA VAL A 100 -5.985 -0.443 -6.301 1.00 0.47 C ATOM 1324 C VAL A 100 -4.933 -0.881 -7.315 1.00 0.42 C ATOM 1325 O VAL A 100 -5.120 -1.855 -8.048 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.208 -1.562 -5.253 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -6.939 -1.016 -4.037 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -6.980 -2.732 -5.849 1.00 1.35 C ATOM 0 H VAL A 100 -7.652 -0.805 -7.514 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.621 0.443 -5.781 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.229 -1.926 -4.942 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.087 -1.816 -3.312 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.348 -0.220 -3.584 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -7.907 -0.620 -4.342 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.120 -3.500 -5.089 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.953 -2.386 -6.199 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.420 -3.148 -6.687 1.00 1.35 H new ATOM 1338 N ARG A 101 -3.829 -0.146 -7.367 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.745 -0.476 -8.275 1.00 0.43 C ATOM 1340 C ARG A 101 -1.739 -1.365 -7.557 1.00 0.40 C ATOM 1341 O ARG A 101 -0.906 -0.882 -6.790 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.062 0.797 -8.783 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.320 0.611 -10.103 1.00 1.20 C ATOM 1344 CD ARG A 101 -2.285 0.541 -11.283 1.00 1.40 C ATOM 1345 NE ARG A 101 -3.208 -0.593 -11.197 1.00 2.23 N ATOM 1346 CZ ARG A 101 -4.534 -0.499 -11.340 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -5.103 0.677 -11.589 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -5.286 -1.585 -11.234 1.00 3.87 N ATOM 0 H ARG A 101 -3.664 0.680 -6.792 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.150 -1.009 -9.135 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.813 1.577 -8.906 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.359 1.147 -8.028 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.624 1.437 -10.250 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -0.727 -0.302 -10.062 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -2.858 1.467 -11.333 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -1.714 0.469 -12.209 1.00 1.40 H new ATOM 0 HE ARG A 101 -2.813 -1.516 -11.016 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -4.527 1.515 -11.672 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -6.115 0.741 -11.697 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -4.853 -2.489 -11.044 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -6.298 -1.517 -11.342 1.00 3.87 H new ATOM 1362 N ILE A 102 -1.829 -2.660 -7.807 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.044 -3.635 -7.067 1.00 0.43 C ATOM 1364 C ILE A 102 0.273 -3.951 -7.762 1.00 0.45 C ATOM 1365 O ILE A 102 0.303 -4.329 -8.936 1.00 0.56 O ATOM 1366 CB ILE A 102 -1.838 -4.940 -6.857 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.151 -4.636 -6.134 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.013 -5.954 -6.072 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.016 -5.851 -5.897 1.00 0.76 C ATOM 0 H ILE A 102 -2.439 -3.062 -8.519 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.822 -3.187 -6.098 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.064 -5.375 -7.831 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -2.926 -4.170 -5.175 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.716 -3.909 -6.718 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.593 -6.867 -5.935 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.099 -6.183 -6.621 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.756 -5.538 -5.098 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -4.928 -5.553 -5.380 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.273 -6.307 -6.853 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.472 -6.572 -5.286 1.00 0.76 H new ATOM 1381 N ARG A 103 1.356 -3.795 -7.021 1.00 0.41 N ATOM 1382 CA ARG A 103 2.682 -4.122 -7.502 1.00 0.50 C ATOM 1383 C ARG A 103 3.383 -5.015 -6.484 1.00 0.43 C ATOM 1384 O ARG A 103 3.688 -4.580 -5.372 1.00 0.53 O ATOM 1385 CB ARG A 103 3.495 -2.842 -7.719 1.00 0.65 C ATOM 1386 CG ARG A 103 4.776 -3.053 -8.511 1.00 1.12 C ATOM 1387 CD ARG A 103 4.477 -3.335 -9.984 1.00 1.27 C ATOM 1388 NE ARG A 103 3.624 -2.300 -10.565 1.00 1.83 N ATOM 1389 CZ ARG A 103 3.043 -2.389 -11.759 1.00 2.44 C ATOM 1390 NH1 ARG A 103 3.229 -3.462 -12.520 1.00 2.64 N ATOM 1391 NH2 ARG A 103 2.277 -1.398 -12.194 1.00 3.34 N ATOM 0 H ARG A 103 1.338 -3.437 -6.066 1.00 0.41 H new ATOM 0 HA ARG A 103 2.599 -4.649 -8.453 1.00 0.50 H new ATOM 0 HB2 ARG A 103 2.874 -2.112 -8.239 1.00 0.65 H new ATOM 0 HB3 ARG A 103 3.746 -2.413 -6.749 1.00 0.65 H new ATOM 0 HG2 ARG A 103 5.407 -2.168 -8.429 1.00 1.12 H new ATOM 0 HG3 ARG A 103 5.337 -3.885 -8.085 1.00 1.12 H new ATOM 0 HD2 ARG A 103 5.412 -3.393 -10.542 1.00 1.27 H new ATOM 0 HD3 ARG A 103 3.989 -4.305 -10.078 1.00 1.27 H new ATOM 0 HE ARG A 103 3.463 -1.453 -10.019 1.00 1.83 H new ATOM 0 HH11 ARG A 103 3.820 -4.225 -12.190 1.00 2.64 H new ATOM 0 HH12 ARG A 103 2.780 -3.523 -13.434 1.00 2.64 H new ATOM 0 HH21 ARG A 103 2.135 -0.571 -11.614 1.00 3.34 H new ATOM 0 HH22 ARG A 103 1.830 -1.463 -13.109 1.00 3.34 H new ATOM 1405 N LYS A 104 3.607 -6.268 -6.848 1.00 0.38 N ATOM 1406 CA LYS A 104 4.306 -7.198 -5.970 1.00 0.39 C ATOM 1407 C LYS A 104 5.803 -6.940 -6.003 1.00 0.37 C ATOM 1408 O LYS A 104 6.446 -7.100 -7.044 1.00 0.46 O ATOM 1409 CB LYS A 104 4.022 -8.645 -6.373 1.00 0.51 C ATOM 1410 CG LYS A 104 2.645 -9.155 -5.973 1.00 0.63 C ATOM 1411 CD LYS A 104 2.452 -10.585 -6.432 1.00 1.06 C ATOM 1412 CE LYS A 104 1.305 -11.262 -5.707 1.00 1.50 C ATOM 1413 NZ LYS A 104 1.235 -12.705 -6.043 1.00 1.91 N ATOM 0 H LYS A 104 3.317 -6.665 -7.742 1.00 0.38 H new ATOM 0 HA LYS A 104 3.940 -7.039 -4.955 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.128 -8.735 -7.454 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.778 -9.289 -5.924 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.530 -9.096 -4.891 1.00 0.63 H new ATOM 0 HG3 LYS A 104 1.875 -8.520 -6.411 1.00 0.63 H new ATOM 0 HD2 LYS A 104 2.262 -10.599 -7.505 1.00 1.06 H new ATOM 0 HD3 LYS A 104 3.370 -11.147 -6.263 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.430 -11.142 -4.631 1.00 1.50 H new ATOM 0 HE3 LYS A 104 0.366 -10.778 -5.974 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 0.508 -13.163 -5.457 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 0.991 -12.816 -7.048 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.157 -13.149 -5.860 1.00 1.91 H new ATOM 1427 N VAL A 105 6.357 -6.543 -4.864 1.00 0.35 N ATOM 1428 CA VAL A 105 7.766 -6.189 -4.779 1.00 0.39 C ATOM 1429 C VAL A 105 8.354 -6.563 -3.428 1.00 0.46 C ATOM 1430 O VAL A 105 7.667 -6.549 -2.406 1.00 0.52 O ATOM 1431 CB VAL A 105 7.997 -4.669 -4.990 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.543 -4.234 -6.366 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.285 -3.855 -3.920 1.00 0.55 C ATOM 0 H VAL A 105 5.849 -6.458 -3.984 1.00 0.35 H new ATOM 0 HA VAL A 105 8.260 -6.749 -5.573 1.00 0.39 H new ATOM 0 HB VAL A 105 9.068 -4.486 -4.908 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.717 -3.165 -6.485 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.105 -4.780 -7.124 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.480 -4.444 -6.481 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.463 -2.793 -4.092 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.214 -4.055 -3.963 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.666 -4.133 -2.937 1.00 0.55 H new ATOM 1443 N THR A 106 9.620 -6.928 -3.438 1.00 0.52 N ATOM 1444 CA THR A 106 10.408 -6.953 -2.227 1.00 0.61 C ATOM 1445 C THR A 106 11.809 -6.461 -2.557 1.00 0.58 C ATOM 1446 O THR A 106 12.684 -7.235 -2.942 1.00 0.67 O ATOM 1447 CB THR A 106 10.465 -8.365 -1.617 1.00 0.80 C ATOM 1448 OG1 THR A 106 9.134 -8.889 -1.506 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.116 -8.343 -0.242 1.00 1.64 C ATOM 0 H THR A 106 10.125 -7.212 -4.277 1.00 0.52 H new ATOM 0 HA THR A 106 9.943 -6.304 -1.485 1.00 0.61 H new ATOM 0 HB THR A 106 11.065 -8.998 -2.271 1.00 0.80 H new ATOM 0 HG1 THR A 106 9.138 -9.842 -1.733 1.00 1.32 H new ATOM 0 HG21 THR A 106 11.142 -9.354 0.164 1.00 1.64 H new ATOM 0 HG22 THR A 106 12.133 -7.959 -0.327 1.00 1.64 H new ATOM 0 HG23 THR A 106 10.540 -7.700 0.423 1.00 1.64 H new ATOM 1457 N SER A 107 11.993 -5.161 -2.369 1.00 0.50 N ATOM 1458 CA SER A 107 13.208 -4.441 -2.739 1.00 0.51 C ATOM 1459 C SER A 107 13.030 -2.976 -2.345 1.00 0.45 C ATOM 1460 O SER A 107 12.121 -2.298 -2.829 1.00 0.44 O ATOM 1461 CB SER A 107 13.469 -4.536 -4.252 1.00 0.56 C ATOM 1462 OG SER A 107 13.919 -5.827 -4.640 1.00 1.36 O ATOM 0 H SER A 107 11.285 -4.562 -1.945 1.00 0.50 H new ATOM 0 HA SER A 107 14.060 -4.883 -2.223 1.00 0.51 H new ATOM 0 HB2 SER A 107 12.554 -4.295 -4.793 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.213 -3.793 -4.538 1.00 0.56 H new ATOM 0 HG SER A 107 13.851 -6.440 -3.878 1.00 1.36 H new ATOM 1468 N PRO A 108 13.895 -2.483 -1.438 1.00 0.47 N ATOM 1469 CA PRO A 108 13.772 -1.144 -0.853 1.00 0.49 C ATOM 1470 C PRO A 108 13.784 -0.022 -1.887 1.00 0.43 C ATOM 1471 O PRO A 108 12.950 0.878 -1.830 1.00 0.47 O ATOM 1472 CB PRO A 108 14.986 -1.028 0.078 1.00 0.63 C ATOM 1473 CG PRO A 108 15.921 -2.106 -0.350 1.00 0.69 C ATOM 1474 CD PRO A 108 15.064 -3.204 -0.908 1.00 0.55 C ATOM 0 HA PRO A 108 12.815 -1.033 -0.344 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.453 -0.047 -0.007 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.694 -1.153 1.121 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.621 -1.739 -1.100 1.00 0.69 H new ATOM 0 HG3 PRO A 108 16.514 -2.464 0.492 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.581 -3.761 -1.689 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.779 -3.923 -0.139 1.00 0.55 H new ATOM 1482 N ASP A 109 14.722 -0.071 -2.828 1.00 0.46 N ATOM 1483 CA ASP A 109 14.830 0.968 -3.852 1.00 0.50 C ATOM 1484 C ASP A 109 13.597 0.980 -4.738 1.00 0.41 C ATOM 1485 O ASP A 109 13.014 2.033 -4.995 1.00 0.44 O ATOM 1486 CB ASP A 109 16.075 0.769 -4.716 1.00 0.64 C ATOM 1487 CG ASP A 109 17.342 1.252 -4.046 1.00 1.56 C ATOM 1488 OD1 ASP A 109 17.792 2.375 -4.361 1.00 2.22 O ATOM 1489 OD2 ASP A 109 17.900 0.518 -3.206 1.00 2.37 O ATOM 0 H ASP A 109 15.416 -0.814 -2.905 1.00 0.46 H new ATOM 0 HA ASP A 109 14.912 1.925 -3.336 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.178 -0.289 -4.957 1.00 0.64 H new ATOM 0 HB3 ASP A 109 15.944 1.299 -5.659 1.00 0.64 H new ATOM 1494 N GLU A 110 13.202 -0.201 -5.185 1.00 0.38 N ATOM 1495 CA GLU A 110 12.039 -0.360 -6.049 1.00 0.38 C ATOM 1496 C GLU A 110 10.775 0.177 -5.386 1.00 0.36 C ATOM 1497 O GLU A 110 9.921 0.766 -6.049 1.00 0.42 O ATOM 1498 CB GLU A 110 11.848 -1.837 -6.407 1.00 0.43 C ATOM 1499 CG GLU A 110 12.774 -2.353 -7.504 1.00 0.68 C ATOM 1500 CD GLU A 110 14.238 -2.036 -7.262 1.00 1.32 C ATOM 1501 OE1 GLU A 110 14.839 -1.315 -8.085 1.00 2.01 O ATOM 1502 OE2 GLU A 110 14.797 -2.502 -6.249 1.00 2.12 O ATOM 0 H GLU A 110 13.676 -1.076 -4.961 1.00 0.38 H new ATOM 0 HA GLU A 110 12.217 0.216 -6.957 1.00 0.38 H new ATOM 0 HB2 GLU A 110 12.001 -2.437 -5.510 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.815 -1.990 -6.721 1.00 0.43 H new ATOM 0 HG2 GLU A 110 12.654 -3.433 -7.591 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.470 -1.921 -8.457 1.00 0.68 H new ATOM 1509 N ALA A 111 10.674 0.011 -4.071 1.00 0.33 N ATOM 1510 CA ALA A 111 9.470 0.401 -3.355 1.00 0.35 C ATOM 1511 C ALA A 111 9.417 1.908 -3.221 1.00 0.34 C ATOM 1512 O ALA A 111 8.393 2.537 -3.484 1.00 0.41 O ATOM 1513 CB ALA A 111 9.424 -0.259 -1.984 1.00 0.38 C ATOM 0 H ALA A 111 11.407 -0.388 -3.485 1.00 0.33 H new ATOM 0 HA ALA A 111 8.601 0.066 -3.921 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.516 0.045 -1.464 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.429 -1.343 -2.101 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.294 0.047 -1.403 1.00 0.38 H new ATOM 1519 N LYS A 112 10.548 2.480 -2.839 1.00 0.32 N ATOM 1520 CA LYS A 112 10.673 3.919 -2.686 1.00 0.34 C ATOM 1521 C LYS A 112 10.479 4.620 -4.025 1.00 0.37 C ATOM 1522 O LYS A 112 10.009 5.756 -4.083 1.00 0.42 O ATOM 1523 CB LYS A 112 12.040 4.257 -2.092 1.00 0.40 C ATOM 1524 CG LYS A 112 12.229 3.722 -0.680 1.00 0.48 C ATOM 1525 CD LYS A 112 13.605 4.056 -0.132 1.00 0.62 C ATOM 1526 CE LYS A 112 14.682 3.121 -0.659 1.00 1.11 C ATOM 1527 NZ LYS A 112 16.005 3.383 -0.033 1.00 1.51 N ATOM 0 H LYS A 112 11.401 1.962 -2.627 1.00 0.32 H new ATOM 0 HA LYS A 112 9.897 4.272 -2.007 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.819 3.849 -2.736 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.168 5.339 -2.084 1.00 0.40 H new ATOM 0 HG2 LYS A 112 11.465 4.143 -0.026 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.089 2.641 -0.679 1.00 0.48 H new ATOM 0 HD2 LYS A 112 13.859 5.083 -0.396 1.00 0.62 H new ATOM 0 HD3 LYS A 112 13.582 4.003 0.956 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.390 2.088 -0.469 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.764 3.235 -1.740 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.761 3.093 -0.686 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.096 4.398 0.174 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.084 2.841 0.851 1.00 1.51 H new ATOM 1541 N ARG A 113 10.832 3.924 -5.097 1.00 0.38 N ATOM 1542 CA ARG A 113 10.663 4.443 -6.445 1.00 0.46 C ATOM 1543 C ARG A 113 9.184 4.604 -6.777 1.00 0.43 C ATOM 1544 O ARG A 113 8.757 5.660 -7.242 1.00 0.50 O ATOM 1545 CB ARG A 113 11.332 3.510 -7.448 1.00 0.57 C ATOM 1546 CG ARG A 113 11.333 4.031 -8.873 1.00 0.77 C ATOM 1547 CD ARG A 113 12.190 3.132 -9.770 1.00 1.01 C ATOM 1548 NE ARG A 113 13.481 2.847 -9.141 1.00 1.68 N ATOM 1549 CZ ARG A 113 13.972 1.622 -8.960 1.00 2.13 C ATOM 1550 NH1 ARG A 113 13.335 0.563 -9.443 1.00 1.97 N ATOM 1551 NH2 ARG A 113 15.115 1.455 -8.309 1.00 2.96 N ATOM 0 H ARG A 113 11.241 2.990 -5.057 1.00 0.38 H new ATOM 0 HA ARG A 113 11.135 5.424 -6.503 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.362 3.336 -7.135 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.825 2.546 -7.425 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.312 4.069 -9.254 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.719 5.050 -8.894 1.00 0.77 H new ATOM 0 HD2 ARG A 113 11.663 2.199 -9.967 1.00 1.01 H new ATOM 0 HD3 ARG A 113 12.349 3.617 -10.733 1.00 1.01 H new ATOM 0 HE ARG A 113 14.041 3.637 -8.821 1.00 1.68 H new ATOM 0 HH11 ARG A 113 12.462 0.683 -9.957 1.00 1.97 H new ATOM 0 HH12 ARG A 113 13.718 -0.372 -9.300 1.00 1.97 H new ATOM 0 HH21 ARG A 113 15.619 2.265 -7.947 1.00 2.96 H new ATOM 0 HH22 ARG A 113 15.491 0.517 -8.171 1.00 2.96 H new ATOM 1565 N TRP A 114 8.401 3.558 -6.521 1.00 0.39 N ATOM 1566 CA TRP A 114 6.961 3.618 -6.750 1.00 0.39 C ATOM 1567 C TRP A 114 6.320 4.662 -5.842 1.00 0.40 C ATOM 1568 O TRP A 114 5.360 5.329 -6.221 1.00 0.46 O ATOM 1569 CB TRP A 114 6.307 2.252 -6.524 1.00 0.38 C ATOM 1570 CG TRP A 114 6.626 1.246 -7.589 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.311 0.075 -7.436 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.267 1.324 -8.973 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.398 -0.580 -8.641 1.00 0.40 N ATOM 1574 CE2 TRP A 114 6.766 0.166 -9.598 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.572 2.260 -9.743 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 6.590 -0.080 -10.958 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 5.399 2.014 -11.092 1.00 1.29 C ATOM 1578 CH2 TRP A 114 5.906 0.853 -11.687 1.00 1.25 C ATOM 0 H TRP A 114 8.737 2.666 -6.158 1.00 0.39 H new ATOM 0 HA TRP A 114 6.800 3.905 -7.789 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.629 1.860 -5.559 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.226 2.381 -6.471 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.724 -0.284 -6.505 1.00 0.34 H new ATOM 0 HE1 TRP A 114 7.859 -1.477 -8.797 1.00 0.40 H new ATOM 0 HE3 TRP A 114 5.177 3.159 -9.293 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 6.980 -0.975 -11.420 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 4.863 2.730 -11.698 1.00 1.29 H new ATOM 0 HH2 TRP A 114 5.754 0.691 -12.744 1.00 1.25 H new ATOM 1589 N ILE A 115 6.874 4.813 -4.649 1.00 0.38 N ATOM 1590 CA ILE A 115 6.383 5.801 -3.696 1.00 0.41 C ATOM 1591 C ILE A 115 6.609 7.223 -4.217 1.00 0.47 C ATOM 1592 O ILE A 115 5.765 8.103 -4.040 1.00 0.55 O ATOM 1593 CB ILE A 115 7.051 5.622 -2.313 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.610 4.292 -1.691 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.716 6.781 -1.386 1.00 0.45 C ATOM 1596 CD1 ILE A 115 7.192 4.037 -0.318 1.00 0.44 C ATOM 0 H ILE A 115 7.666 4.263 -4.315 1.00 0.38 H new ATOM 0 HA ILE A 115 5.311 5.643 -3.580 1.00 0.41 H new ATOM 0 HB ILE A 115 8.132 5.611 -2.452 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.522 4.277 -1.623 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.899 3.477 -2.355 1.00 0.40 H new ATOM 0 HG21 ILE A 115 7.200 6.627 -0.421 1.00 0.45 H new ATOM 0 HG22 ILE A 115 7.072 7.713 -1.826 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.636 6.835 -1.246 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.834 3.078 0.056 1.00 0.44 H new ATOM 0 HD12 ILE A 115 8.280 4.019 -0.382 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.881 4.830 0.362 1.00 0.44 H new ATOM 1608 N LYS A 116 7.731 7.435 -4.893 1.00 0.50 N ATOM 1609 CA LYS A 116 8.046 8.747 -5.448 1.00 0.60 C ATOM 1610 C LYS A 116 7.256 8.979 -6.726 1.00 0.57 C ATOM 1611 O LYS A 116 6.913 10.110 -7.068 1.00 0.69 O ATOM 1612 CB LYS A 116 9.543 8.881 -5.716 1.00 0.73 C ATOM 1613 CG LYS A 116 10.382 8.957 -4.450 1.00 1.18 C ATOM 1614 CD LYS A 116 11.855 9.187 -4.761 1.00 1.85 C ATOM 1615 CE LYS A 116 12.077 10.491 -5.515 1.00 2.50 C ATOM 1616 NZ LYS A 116 11.589 11.673 -4.755 1.00 3.13 N ATOM 0 H LYS A 116 8.436 6.719 -5.070 1.00 0.50 H new ATOM 0 HA LYS A 116 7.764 9.505 -4.717 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.875 8.031 -6.312 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.718 9.776 -6.313 1.00 0.73 H new ATOM 0 HG2 LYS A 116 10.014 9.765 -3.818 1.00 1.18 H new ATOM 0 HG3 LYS A 116 10.270 8.032 -3.884 1.00 1.18 H new ATOM 0 HD2 LYS A 116 12.424 9.203 -3.832 1.00 1.85 H new ATOM 0 HD3 LYS A 116 12.236 8.355 -5.354 1.00 1.85 H new ATOM 0 HE2 LYS A 116 13.140 10.610 -5.725 1.00 2.50 H new ATOM 0 HE3 LYS A 116 11.566 10.444 -6.476 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 11.910 12.544 -5.224 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 10.550 11.660 -4.723 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 11.966 11.642 -3.786 1.00 3.13 H new ATOM 1630 N GLU A 117 6.958 7.890 -7.412 1.00 0.53 N ATOM 1631 CA GLU A 117 6.166 7.926 -8.626 1.00 0.58 C ATOM 1632 C GLU A 117 4.739 8.394 -8.322 1.00 0.57 C ATOM 1633 O GLU A 117 4.146 9.163 -9.080 1.00 0.66 O ATOM 1634 CB GLU A 117 6.163 6.528 -9.252 1.00 0.70 C ATOM 1635 CG GLU A 117 5.188 6.348 -10.394 1.00 1.28 C ATOM 1636 CD GLU A 117 5.546 7.171 -11.612 1.00 1.51 C ATOM 1637 OE1 GLU A 117 4.822 8.141 -11.916 1.00 2.14 O ATOM 1638 OE2 GLU A 117 6.559 6.853 -12.274 1.00 1.93 O ATOM 0 H GLU A 117 7.260 6.954 -7.141 1.00 0.53 H new ATOM 0 HA GLU A 117 6.601 8.636 -9.330 1.00 0.58 H new ATOM 0 HB2 GLU A 117 7.167 6.304 -9.611 1.00 0.70 H new ATOM 0 HB3 GLU A 117 5.931 5.798 -8.476 1.00 0.70 H new ATOM 0 HG2 GLU A 117 5.153 5.295 -10.672 1.00 1.28 H new ATOM 0 HG3 GLU A 117 4.188 6.623 -10.058 1.00 1.28 H new ATOM 1645 N PHE A 118 4.202 7.939 -7.197 1.00 0.56 N ATOM 1646 CA PHE A 118 2.823 8.241 -6.833 1.00 0.66 C ATOM 1647 C PHE A 118 2.699 9.525 -6.006 1.00 0.73 C ATOM 1648 O PHE A 118 1.650 10.171 -6.017 1.00 0.88 O ATOM 1649 CB PHE A 118 2.206 7.057 -6.094 1.00 0.73 C ATOM 1650 CG PHE A 118 1.785 5.937 -7.005 1.00 0.69 C ATOM 1651 CD1 PHE A 118 2.724 5.132 -7.626 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.442 5.695 -7.240 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.332 4.108 -8.466 1.00 1.57 C ATOM 1654 CE2 PHE A 118 0.042 4.673 -8.077 1.00 1.56 C ATOM 1655 CZ PHE A 118 0.988 3.879 -8.692 1.00 1.41 C ATOM 0 H PHE A 118 4.700 7.360 -6.521 1.00 0.56 H new ATOM 0 HA PHE A 118 2.273 8.414 -7.758 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.926 6.675 -5.370 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.339 7.402 -5.530 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.775 5.307 -7.452 1.00 1.33 H new ATOM 0 HD2 PHE A 118 -0.303 6.314 -6.762 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.075 3.487 -8.945 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -1.009 4.495 -8.250 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.679 3.080 -9.349 1.00 1.41 H new ATOM 1665 N SER A 119 3.754 9.902 -5.288 1.00 0.69 N ATOM 1666 CA SER A 119 3.751 11.179 -4.576 1.00 0.80 C ATOM 1667 C SER A 119 3.747 12.323 -5.578 1.00 0.79 C ATOM 1668 O SER A 119 3.152 13.379 -5.348 1.00 0.90 O ATOM 1669 CB SER A 119 4.959 11.291 -3.646 1.00 0.93 C ATOM 1670 OG SER A 119 6.130 10.797 -4.267 1.00 1.20 O ATOM 0 H SER A 119 4.608 9.354 -5.184 1.00 0.69 H new ATOM 0 HA SER A 119 2.851 11.234 -3.963 1.00 0.80 H new ATOM 0 HB2 SER A 119 5.107 12.333 -3.361 1.00 0.93 H new ATOM 0 HB3 SER A 119 4.768 10.734 -2.729 1.00 0.93 H new ATOM 0 HG SER A 119 6.168 9.823 -4.165 1.00 1.20 H new ATOM 1676 N GLU A 120 4.411 12.097 -6.699 1.00 0.81 N ATOM 1677 CA GLU A 120 4.392 13.030 -7.806 1.00 0.96 C ATOM 1678 C GLU A 120 3.372 12.567 -8.843 1.00 1.17 C ATOM 1679 O GLU A 120 3.706 12.337 -10.007 1.00 1.50 O ATOM 1680 CB GLU A 120 5.786 13.135 -8.423 1.00 1.08 C ATOM 1681 CG GLU A 120 6.829 13.675 -7.458 1.00 1.41 C ATOM 1682 CD GLU A 120 8.232 13.611 -8.019 1.00 2.00 C ATOM 1683 OE1 GLU A 120 9.045 12.813 -7.502 1.00 2.45 O ATOM 1684 OE2 GLU A 120 8.526 14.349 -8.982 1.00 2.77 O ATOM 0 H GLU A 120 4.976 11.264 -6.864 1.00 0.81 H new ATOM 0 HA GLU A 120 4.103 14.018 -7.448 1.00 0.96 H new ATOM 0 HB2 GLU A 120 6.098 12.150 -8.771 1.00 1.08 H new ATOM 0 HB3 GLU A 120 5.741 13.782 -9.299 1.00 1.08 H new ATOM 0 HG2 GLU A 120 6.588 14.709 -7.210 1.00 1.41 H new ATOM 0 HG3 GLU A 120 6.787 13.106 -6.529 1.00 1.41 H new ATOM 1691 N GLU A 121 2.132 12.406 -8.387 1.00 1.22 N ATOM 1692 CA GLU A 121 1.036 11.960 -9.240 1.00 1.56 C ATOM 1693 C GLU A 121 0.830 12.907 -10.426 1.00 2.02 C ATOM 1694 O GLU A 121 1.042 12.468 -11.576 1.00 2.60 O ATOM 1695 CB GLU A 121 -0.257 11.822 -8.422 1.00 1.96 C ATOM 1696 CG GLU A 121 -0.642 13.076 -7.649 1.00 2.47 C ATOM 1697 CD GLU A 121 -1.945 12.931 -6.889 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -1.921 12.999 -5.639 1.00 4.00 O ATOM 1699 OE2 GLU A 121 -3.001 12.759 -7.534 1.00 3.84 O ATOM 1700 OXT GLU A 121 0.492 14.091 -10.207 1.00 2.53 O ATOM 0 H GLU A 121 1.860 12.581 -7.419 1.00 1.22 H new ATOM 0 HA GLU A 121 1.300 10.982 -9.642 1.00 1.56 H new ATOM 0 HB2 GLU A 121 -1.073 11.558 -9.095 1.00 1.96 H new ATOM 0 HB3 GLU A 121 -0.143 10.996 -7.720 1.00 1.96 H new ATOM 0 HG2 GLU A 121 0.155 13.322 -6.947 1.00 2.47 H new ATOM 0 HG3 GLU A 121 -0.725 13.912 -8.343 1.00 2.47 H new