USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 CYS SG : rot 136:sc= 2.45 USER MOD Set 1.2: A 119 HIS : no HE2:sc= -2.96 K(o=1.9,f=-1.2!) USER MOD Set 1.3: A 134 CYS SG : rot -166:sc= 0.292 USER MOD Set 1.4: A 137 CYS SG : rot -124:sc= -1.08! USER MOD Set 1.5: A 139 SER OG : rot -105:sc= 1.71 USER MOD Set 1.6: A 141 TYR OH : rot -106:sc= 1.46 USER MOD Set 2.1: A 125 LYS NZ :NH3+ -138:sc= 1.31 (180deg=0.288) USER MOD Set 2.2: A 127 THR OG1 : rot 144:sc= 2.19 USER MOD Set 3.1: A 114 SER OG : rot -106:sc= 1.62 USER MOD Set 3.2: A 118 SER OG : rot -3:sc= 2 USER MOD Single : A 94 MET CE :methyl 174:sc= 0 (180deg=-0.0706) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 1.2 (180deg=1.13) USER MOD Single : A 102 SER OG : rot -69:sc= -0.944 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 63:sc= 0.995 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 122 MET CE :methyl -147:sc= -2.26 (180deg=-3.61!) USER MOD Single : A 129 ASN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 139:sc= 1.23 (180deg=0.379) USER MOD Single : A 144 ASN : amide:sc= -2.91 K(o=-2.9,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.829 -8.640 0.015 1.00 0.74 N ATOM 2 CA MET A 94 -6.278 -8.270 1.355 1.00 0.78 C ATOM 3 C MET A 94 -5.782 -9.115 2.532 1.00 1.03 C ATOM 4 O MET A 94 -5.802 -8.683 3.686 1.00 2.20 O ATOM 5 CB MET A 94 -7.805 -8.321 1.315 1.00 0.91 C ATOM 6 CG MET A 94 -8.424 -7.587 0.119 1.00 0.93 C ATOM 7 SD MET A 94 -10.194 -7.247 0.267 1.00 1.36 S ATOM 8 CE MET A 94 -10.150 -5.697 1.201 1.00 2.68 C ATOM 0 HA MET A 94 -5.848 -7.290 1.560 1.00 0.78 H new ATOM 0 HB2 MET A 94 -8.123 -9.363 1.292 1.00 0.91 H new ATOM 0 HB3 MET A 94 -8.197 -7.888 2.236 1.00 0.91 H new ATOM 0 HG2 MET A 94 -7.898 -6.643 -0.021 1.00 0.93 H new ATOM 0 HG3 MET A 94 -8.257 -8.181 -0.779 1.00 0.93 H new ATOM 0 HE1 MET A 94 -11.159 -5.294 1.286 1.00 2.68 H new ATOM 0 HE2 MET A 94 -9.749 -5.884 2.197 1.00 2.68 H new ATOM 0 HE3 MET A 94 -9.515 -4.978 0.683 1.00 2.68 H new ATOM 18 N LYS A 95 -5.332 -10.327 2.238 1.00 0.95 N ATOM 19 CA LYS A 95 -4.659 -11.207 3.188 1.00 1.01 C ATOM 20 C LYS A 95 -3.530 -10.513 3.957 1.00 1.02 C ATOM 21 O LYS A 95 -3.618 -10.366 5.174 1.00 1.61 O ATOM 22 CB LYS A 95 -4.167 -12.462 2.439 1.00 1.02 C ATOM 23 CG LYS A 95 -3.429 -12.214 1.101 1.00 0.87 C ATOM 24 CD LYS A 95 -1.986 -12.720 1.197 1.00 0.91 C ATOM 25 CE LYS A 95 -1.114 -12.506 -0.047 1.00 0.98 C ATOM 26 NZ LYS A 95 0.312 -12.818 0.255 1.00 1.92 N ATOM 0 H LYS A 95 -5.426 -10.737 1.309 1.00 0.95 H new ATOM 0 HA LYS A 95 -5.377 -11.499 3.954 1.00 1.01 H new ATOM 0 HB2 LYS A 95 -3.501 -13.016 3.100 1.00 1.02 H new ATOM 0 HB3 LYS A 95 -5.027 -13.103 2.242 1.00 1.02 H new ATOM 0 HG2 LYS A 95 -3.949 -12.724 0.290 1.00 0.87 H new ATOM 0 HG3 LYS A 95 -3.435 -11.150 0.865 1.00 0.87 H new ATOM 0 HD2 LYS A 95 -1.505 -12.228 2.042 1.00 0.91 H new ATOM 0 HD3 LYS A 95 -2.010 -13.787 1.420 1.00 0.91 H new ATOM 0 HE2 LYS A 95 -1.467 -13.141 -0.859 1.00 0.98 H new ATOM 0 HE3 LYS A 95 -1.202 -11.474 -0.387 1.00 0.98 H new ATOM 0 HZ1 LYS A 95 0.856 -12.850 -0.631 1.00 1.92 H new ATOM 0 HZ2 LYS A 95 0.705 -12.082 0.876 1.00 1.92 H new ATOM 0 HZ3 LYS A 95 0.372 -13.740 0.731 1.00 1.92 H new ATOM 40 N ASP A 96 -2.513 -10.085 3.214 1.00 0.70 N ATOM 41 CA ASP A 96 -1.134 -9.805 3.628 1.00 0.77 C ATOM 42 C ASP A 96 -0.204 -9.731 2.382 1.00 0.72 C ATOM 43 O ASP A 96 0.439 -10.710 1.991 1.00 0.90 O ATOM 44 CB ASP A 96 -0.651 -10.849 4.629 1.00 1.04 C ATOM 45 CG ASP A 96 0.798 -10.586 5.051 1.00 1.39 C ATOM 46 OD1 ASP A 96 1.221 -9.416 4.899 1.00 2.03 O ATOM 47 OD2 ASP A 96 1.445 -11.553 5.501 1.00 2.51 O ATOM 0 H ASP A 96 -2.641 -9.908 2.218 1.00 0.70 H new ATOM 0 HA ASP A 96 -1.104 -8.836 4.127 1.00 0.77 H new ATOM 0 HB2 ASP A 96 -1.296 -10.839 5.508 1.00 1.04 H new ATOM 0 HB3 ASP A 96 -0.729 -11.843 4.188 1.00 1.04 H new ATOM 52 N PRO A 97 -0.257 -8.606 1.661 1.00 0.54 N ATOM 53 CA PRO A 97 0.430 -8.341 0.397 1.00 0.54 C ATOM 54 C PRO A 97 1.827 -7.741 0.587 1.00 0.51 C ATOM 55 O PRO A 97 2.795 -8.167 -0.034 1.00 0.81 O ATOM 56 CB PRO A 97 -0.479 -7.305 -0.274 1.00 0.49 C ATOM 57 CG PRO A 97 -1.130 -6.545 0.889 1.00 0.43 C ATOM 58 CD PRO A 97 -1.250 -7.603 1.954 1.00 0.49 C ATOM 0 HA PRO A 97 0.586 -9.257 -0.172 1.00 0.54 H new ATOM 0 HB2 PRO A 97 0.092 -6.634 -0.915 1.00 0.49 H new ATOM 0 HB3 PRO A 97 -1.229 -7.785 -0.903 1.00 0.49 H new ATOM 0 HG2 PRO A 97 -0.516 -5.707 1.219 1.00 0.43 H new ATOM 0 HG3 PRO A 97 -2.102 -6.138 0.612 1.00 0.43 H new ATOM 0 HD2 PRO A 97 -1.087 -7.175 2.943 1.00 0.49 H new ATOM 0 HD3 PRO A 97 -2.249 -8.038 1.956 1.00 0.49 H new ATOM 66 N ILE A 98 1.862 -6.689 1.398 1.00 0.41 N ATOM 67 CA ILE A 98 2.897 -5.714 1.678 1.00 0.41 C ATOM 68 C ILE A 98 2.579 -5.209 3.075 1.00 0.38 C ATOM 69 O ILE A 98 1.411 -4.995 3.399 1.00 0.36 O ATOM 70 CB ILE A 98 2.861 -4.493 0.738 1.00 0.44 C ATOM 71 CG1 ILE A 98 2.438 -4.728 -0.739 1.00 0.47 C ATOM 72 CG2 ILE A 98 4.203 -3.756 0.917 1.00 0.47 C ATOM 73 CD1 ILE A 98 3.552 -4.800 -1.762 1.00 0.50 C ATOM 0 H ILE A 98 1.035 -6.475 1.955 1.00 0.41 H new ATOM 0 HA ILE A 98 3.875 -6.181 1.558 1.00 0.41 H new ATOM 0 HB ILE A 98 2.023 -3.866 1.040 1.00 0.44 H new ATOM 0 HG12 ILE A 98 1.871 -5.658 -0.787 1.00 0.47 H new ATOM 0 HG13 ILE A 98 1.760 -3.926 -1.030 1.00 0.47 H new ATOM 0 HG21 ILE A 98 4.226 -2.880 0.269 1.00 0.47 H new ATOM 0 HG22 ILE A 98 4.310 -3.442 1.955 1.00 0.47 H new ATOM 0 HG23 ILE A 98 5.023 -4.424 0.653 1.00 0.47 H new ATOM 0 HD11 ILE A 98 3.127 -4.967 -2.752 1.00 0.50 H new ATOM 0 HD12 ILE A 98 4.109 -3.863 -1.759 1.00 0.50 H new ATOM 0 HD13 ILE A 98 4.223 -5.622 -1.512 1.00 0.50 H new ATOM 85 N ILE A 99 3.612 -4.963 3.861 1.00 0.42 N ATOM 86 CA ILE A 99 3.496 -4.570 5.261 1.00 0.43 C ATOM 87 C ILE A 99 4.087 -3.197 5.520 1.00 0.46 C ATOM 88 O ILE A 99 5.157 -2.863 5.025 1.00 0.57 O ATOM 89 CB ILE A 99 4.142 -5.654 6.145 1.00 0.57 C ATOM 90 CG1 ILE A 99 3.286 -6.933 6.072 1.00 0.69 C ATOM 91 CG2 ILE A 99 4.335 -5.205 7.605 1.00 0.62 C ATOM 92 CD1 ILE A 99 2.012 -6.876 6.931 1.00 0.75 C ATOM 0 H ILE A 99 4.578 -5.031 3.540 1.00 0.42 H new ATOM 0 HA ILE A 99 2.440 -4.489 5.517 1.00 0.43 H new ATOM 0 HB ILE A 99 5.143 -5.848 5.760 1.00 0.57 H new ATOM 0 HG12 ILE A 99 3.006 -7.113 5.034 1.00 0.69 H new ATOM 0 HG13 ILE A 99 3.890 -7.782 6.391 1.00 0.69 H new ATOM 0 HG21 ILE A 99 4.794 -6.012 8.176 1.00 0.62 H new ATOM 0 HG22 ILE A 99 4.981 -4.327 7.633 1.00 0.62 H new ATOM 0 HG23 ILE A 99 3.367 -4.957 8.040 1.00 0.62 H new ATOM 0 HD11 ILE A 99 1.462 -7.811 6.828 1.00 0.75 H new ATOM 0 HD12 ILE A 99 2.284 -6.728 7.976 1.00 0.75 H new ATOM 0 HD13 ILE A 99 1.386 -6.048 6.598 1.00 0.75 H new ATOM 104 N ILE A 100 3.363 -2.422 6.325 1.00 0.43 N ATOM 105 CA ILE A 100 3.648 -1.044 6.719 1.00 0.44 C ATOM 106 C ILE A 100 3.567 -0.935 8.238 1.00 0.50 C ATOM 107 O ILE A 100 2.488 -1.082 8.813 1.00 0.55 O ATOM 108 CB ILE A 100 2.617 -0.119 6.035 1.00 0.37 C ATOM 109 CG1 ILE A 100 2.715 -0.260 4.490 1.00 0.40 C ATOM 110 CG2 ILE A 100 2.786 1.349 6.477 1.00 0.45 C ATOM 111 CD1 ILE A 100 4.088 0.108 3.909 1.00 0.51 C ATOM 0 H ILE A 100 2.501 -2.765 6.749 1.00 0.43 H new ATOM 0 HA ILE A 100 4.649 -0.746 6.409 1.00 0.44 H new ATOM 0 HB ILE A 100 1.621 -0.430 6.349 1.00 0.37 H new ATOM 0 HG12 ILE A 100 2.481 -1.288 4.215 1.00 0.40 H new ATOM 0 HG13 ILE A 100 1.957 0.374 4.030 1.00 0.40 H new ATOM 0 HG21 ILE A 100 2.043 1.968 5.974 1.00 0.45 H new ATOM 0 HG22 ILE A 100 2.649 1.422 7.556 1.00 0.45 H new ATOM 0 HG23 ILE A 100 3.785 1.696 6.213 1.00 0.45 H new ATOM 0 HD11 ILE A 100 4.071 -0.018 2.826 1.00 0.51 H new ATOM 0 HD12 ILE A 100 4.319 1.146 4.150 1.00 0.51 H new ATOM 0 HD13 ILE A 100 4.851 -0.542 4.338 1.00 0.51 H new ATOM 123 N GLU A 101 4.722 -0.683 8.854 1.00 0.65 N ATOM 124 CA GLU A 101 4.918 -0.590 10.310 1.00 0.75 C ATOM 125 C GLU A 101 4.257 0.660 10.905 1.00 0.88 C ATOM 126 O GLU A 101 4.518 1.783 10.472 1.00 1.05 O ATOM 127 CB GLU A 101 6.418 -0.674 10.669 1.00 0.89 C ATOM 128 CG GLU A 101 6.777 -2.015 11.331 1.00 0.86 C ATOM 129 CD GLU A 101 8.153 -2.513 10.895 1.00 1.35 C ATOM 130 OE1 GLU A 101 9.147 -2.155 11.563 1.00 2.24 O ATOM 131 OE2 GLU A 101 8.165 -3.262 9.893 1.00 2.46 O ATOM 0 H GLU A 101 5.586 -0.531 8.334 1.00 0.65 H new ATOM 0 HA GLU A 101 4.418 -1.446 10.763 1.00 0.75 H new ATOM 0 HB2 GLU A 101 7.015 -0.544 9.766 1.00 0.89 H new ATOM 0 HB3 GLU A 101 6.676 0.143 11.342 1.00 0.89 H new ATOM 0 HG2 GLU A 101 6.758 -1.902 12.415 1.00 0.86 H new ATOM 0 HG3 GLU A 101 6.023 -2.760 11.075 1.00 0.86 H new ATOM 138 N SER A 102 3.390 0.471 11.905 1.00 0.98 N ATOM 139 CA SER A 102 2.498 1.533 12.372 1.00 1.15 C ATOM 140 C SER A 102 2.204 1.544 13.879 1.00 1.54 C ATOM 141 O SER A 102 1.181 1.030 14.327 1.00 2.98 O ATOM 142 CB SER A 102 1.187 1.381 11.596 1.00 1.13 C ATOM 143 OG SER A 102 0.125 2.150 12.140 1.00 2.06 O ATOM 0 H SER A 102 3.288 -0.411 12.407 1.00 0.98 H new ATOM 0 HA SER A 102 3.006 2.481 12.192 1.00 1.15 H new ATOM 0 HB2 SER A 102 1.349 1.678 10.560 1.00 1.13 H new ATOM 0 HB3 SER A 102 0.898 0.330 11.585 1.00 1.13 H new ATOM 0 HG SER A 102 -0.136 1.779 13.009 1.00 2.06 H new ATOM 149 N TYR A 103 3.021 2.267 14.648 1.00 1.00 N ATOM 150 CA TYR A 103 2.827 2.495 16.086 1.00 1.08 C ATOM 151 C TYR A 103 1.733 3.561 16.327 1.00 1.19 C ATOM 152 O TYR A 103 2.007 4.664 16.797 1.00 1.89 O ATOM 153 CB TYR A 103 4.176 2.849 16.735 1.00 1.08 C ATOM 154 CG TYR A 103 5.185 1.712 16.815 1.00 1.34 C ATOM 155 CD1 TYR A 103 5.667 1.076 15.654 1.00 1.83 C ATOM 156 CD2 TYR A 103 5.664 1.296 18.071 1.00 2.98 C ATOM 157 CE1 TYR A 103 6.621 0.052 15.738 1.00 1.99 C ATOM 158 CE2 TYR A 103 6.640 0.289 18.172 1.00 3.45 C ATOM 159 CZ TYR A 103 7.137 -0.329 17.000 1.00 2.31 C ATOM 160 OH TYR A 103 8.075 -1.310 17.091 1.00 2.89 O ATOM 0 H TYR A 103 3.857 2.722 14.281 1.00 1.00 H new ATOM 0 HA TYR A 103 2.468 1.584 16.564 1.00 1.08 H new ATOM 0 HB2 TYR A 103 4.624 3.670 16.175 1.00 1.08 H new ATOM 0 HB3 TYR A 103 3.988 3.216 17.744 1.00 1.08 H new ATOM 0 HD1 TYR A 103 5.297 1.381 14.686 1.00 1.83 H new ATOM 0 HD2 TYR A 103 5.277 1.756 18.968 1.00 2.98 H new ATOM 0 HE1 TYR A 103 6.962 -0.445 14.842 1.00 1.99 H new ATOM 0 HE2 TYR A 103 7.009 -0.012 19.141 1.00 3.45 H new ATOM 0 HH TYR A 103 8.319 -1.443 18.031 1.00 2.89 H new ATOM 170 N ASP A 104 0.512 3.220 15.916 1.00 1.12 N ATOM 171 CA ASP A 104 -0.668 4.092 15.777 1.00 1.10 C ATOM 172 C ASP A 104 -1.957 3.328 15.428 1.00 1.44 C ATOM 173 O ASP A 104 -3.004 3.948 15.413 1.00 3.20 O ATOM 174 CB ASP A 104 -0.443 5.121 14.640 1.00 0.98 C ATOM 175 CG ASP A 104 -0.279 6.585 15.076 1.00 1.88 C ATOM 176 OD1 ASP A 104 -0.928 7.014 16.054 1.00 2.93 O ATOM 177 OD2 ASP A 104 0.431 7.323 14.345 1.00 2.60 O ATOM 0 H ASP A 104 0.300 2.258 15.651 1.00 1.12 H new ATOM 0 HA ASP A 104 -0.789 4.569 16.750 1.00 1.10 H new ATOM 0 HB2 ASP A 104 0.446 4.827 14.083 1.00 0.98 H new ATOM 0 HB3 ASP A 104 -1.285 5.061 13.951 1.00 0.98 H new ATOM 182 N ASP A 105 -1.908 2.053 15.019 1.00 0.77 N ATOM 183 CA ASP A 105 -3.053 1.299 14.477 1.00 0.68 C ATOM 184 C ASP A 105 -3.616 1.834 13.124 1.00 0.66 C ATOM 185 O ASP A 105 -4.431 1.165 12.489 1.00 0.91 O ATOM 186 CB ASP A 105 -4.152 1.120 15.563 1.00 0.80 C ATOM 187 CG ASP A 105 -3.810 0.092 16.656 1.00 1.91 C ATOM 188 OD1 ASP A 105 -3.500 -1.058 16.268 1.00 3.06 O ATOM 189 OD2 ASP A 105 -3.946 0.419 17.858 1.00 2.71 O ATOM 0 H ASP A 105 -1.051 1.501 15.056 1.00 0.77 H new ATOM 0 HA ASP A 105 -2.666 0.315 14.213 1.00 0.68 H new ATOM 0 HB2 ASP A 105 -4.338 2.085 16.035 1.00 0.80 H new ATOM 0 HB3 ASP A 105 -5.080 0.819 15.076 1.00 0.80 H new ATOM 194 N TYR A 106 -3.173 2.994 12.613 1.00 0.62 N ATOM 195 CA TYR A 106 -3.755 3.661 11.426 1.00 0.78 C ATOM 196 C TYR A 106 -2.808 4.559 10.591 1.00 0.87 C ATOM 197 O TYR A 106 -3.298 5.446 9.880 1.00 1.63 O ATOM 198 CB TYR A 106 -5.055 4.395 11.839 1.00 0.96 C ATOM 199 CG TYR A 106 -4.955 5.208 13.112 1.00 0.79 C ATOM 200 CD1 TYR A 106 -4.012 6.247 13.218 1.00 2.12 C ATOM 201 CD2 TYR A 106 -5.727 4.836 14.229 1.00 1.90 C ATOM 202 CE1 TYR A 106 -3.766 6.841 14.468 1.00 2.46 C ATOM 203 CE2 TYR A 106 -5.508 5.447 15.475 1.00 1.83 C ATOM 204 CZ TYR A 106 -4.500 6.433 15.605 1.00 1.39 C ATOM 205 OH TYR A 106 -4.151 6.908 16.830 1.00 1.86 O ATOM 0 H TYR A 106 -2.388 3.507 13.016 1.00 0.62 H new ATOM 0 HA TYR A 106 -3.975 2.859 10.722 1.00 0.78 H new ATOM 0 HB2 TYR A 106 -5.355 5.056 11.026 1.00 0.96 H new ATOM 0 HB3 TYR A 106 -5.848 3.657 11.958 1.00 0.96 H new ATOM 0 HD1 TYR A 106 -3.479 6.587 12.342 1.00 2.12 H new ATOM 0 HD2 TYR A 106 -6.490 4.078 14.128 1.00 1.90 H new ATOM 0 HE1 TYR A 106 -3.014 7.611 14.560 1.00 2.46 H new ATOM 0 HE2 TYR A 106 -6.106 5.166 16.330 1.00 1.83 H new ATOM 0 HH TYR A 106 -4.752 6.535 17.509 1.00 1.86 H new ATOM 215 N ARG A 107 -1.478 4.360 10.616 1.00 0.76 N ATOM 216 CA ARG A 107 -0.545 5.147 9.761 1.00 0.78 C ATOM 217 C ARG A 107 -0.903 5.087 8.260 1.00 0.81 C ATOM 218 O ARG A 107 -1.378 4.076 7.739 1.00 1.32 O ATOM 219 CB ARG A 107 0.936 4.720 9.892 1.00 0.95 C ATOM 220 CG ARG A 107 1.631 4.890 11.252 1.00 1.58 C ATOM 221 CD ARG A 107 1.626 6.269 11.901 1.00 1.96 C ATOM 222 NE ARG A 107 2.598 7.209 11.323 1.00 2.36 N ATOM 223 CZ ARG A 107 2.971 8.337 11.923 1.00 3.20 C ATOM 224 NH1 ARG A 107 2.428 8.732 13.058 1.00 3.96 N ATOM 225 NH2 ARG A 107 3.912 9.083 11.378 1.00 4.26 N ATOM 0 H ARG A 107 -1.019 3.669 11.210 1.00 0.76 H new ATOM 0 HA ARG A 107 -0.665 6.162 10.139 1.00 0.78 H new ATOM 0 HB2 ARG A 107 1.003 3.668 9.615 1.00 0.95 H new ATOM 0 HB3 ARG A 107 1.509 5.282 9.154 1.00 0.95 H new ATOM 0 HG2 ARG A 107 1.169 4.193 11.951 1.00 1.58 H new ATOM 0 HG3 ARG A 107 2.670 4.582 11.135 1.00 1.58 H new ATOM 0 HD2 ARG A 107 0.627 6.696 11.813 1.00 1.96 H new ATOM 0 HD3 ARG A 107 1.833 6.158 12.965 1.00 1.96 H new ATOM 0 HE ARG A 107 3.007 6.985 10.416 1.00 2.36 H new ATOM 0 HH11 ARG A 107 1.702 8.168 13.499 1.00 3.96 H new ATOM 0 HH12 ARG A 107 2.734 9.601 13.495 1.00 3.96 H new ATOM 0 HH21 ARG A 107 4.349 8.794 10.503 1.00 4.26 H new ATOM 0 HH22 ARG A 107 4.203 9.949 11.832 1.00 4.26 H new ATOM 239 N TYR A 108 -0.581 6.163 7.533 1.00 0.57 N ATOM 240 CA TYR A 108 -0.520 6.147 6.063 1.00 0.51 C ATOM 241 C TYR A 108 0.769 5.469 5.539 1.00 0.50 C ATOM 242 O TYR A 108 1.737 5.325 6.283 1.00 0.61 O ATOM 243 CB TYR A 108 -0.727 7.565 5.501 1.00 0.58 C ATOM 244 CG TYR A 108 0.530 8.400 5.471 1.00 0.63 C ATOM 245 CD1 TYR A 108 1.398 8.310 4.365 1.00 1.86 C ATOM 246 CD2 TYR A 108 0.864 9.205 6.575 1.00 2.06 C ATOM 247 CE1 TYR A 108 2.630 8.982 4.394 1.00 1.79 C ATOM 248 CE2 TYR A 108 2.080 9.910 6.587 1.00 2.24 C ATOM 249 CZ TYR A 108 2.972 9.795 5.496 1.00 0.96 C ATOM 250 OH TYR A 108 4.158 10.465 5.504 1.00 1.18 O ATOM 0 H TYR A 108 -0.355 7.069 7.944 1.00 0.57 H new ATOM 0 HA TYR A 108 -1.340 5.530 5.694 1.00 0.51 H new ATOM 0 HB2 TYR A 108 -1.126 7.490 4.489 1.00 0.58 H new ATOM 0 HB3 TYR A 108 -1.478 8.078 6.102 1.00 0.58 H new ATOM 0 HD1 TYR A 108 1.117 7.727 3.500 1.00 1.86 H new ATOM 0 HD2 TYR A 108 0.187 9.281 7.413 1.00 2.06 H new ATOM 0 HE1 TYR A 108 3.319 8.877 3.569 1.00 1.79 H new ATOM 0 HE2 TYR A 108 2.333 10.538 7.428 1.00 2.24 H new ATOM 0 HH TYR A 108 4.238 10.979 6.334 1.00 1.18 H new ATOM 260 N VAL A 109 0.762 5.061 4.268 1.00 0.48 N ATOM 261 CA VAL A 109 1.899 4.487 3.522 1.00 0.54 C ATOM 262 C VAL A 109 2.349 5.409 2.390 1.00 0.59 C ATOM 263 O VAL A 109 1.495 6.002 1.740 1.00 0.59 O ATOM 264 CB VAL A 109 1.532 3.112 2.915 1.00 0.59 C ATOM 265 CG1 VAL A 109 0.289 3.103 2.021 1.00 0.63 C ATOM 266 CG2 VAL A 109 2.686 2.548 2.082 1.00 0.74 C ATOM 0 H VAL A 109 -0.080 5.123 3.695 1.00 0.48 H new ATOM 0 HA VAL A 109 2.712 4.369 4.238 1.00 0.54 H new ATOM 0 HB VAL A 109 1.319 2.499 3.791 1.00 0.59 H new ATOM 0 HG11 VAL A 109 0.118 2.094 1.646 1.00 0.63 H new ATOM 0 HG12 VAL A 109 -0.577 3.427 2.598 1.00 0.63 H new ATOM 0 HG13 VAL A 109 0.440 3.781 1.181 1.00 0.63 H new ATOM 0 HG21 VAL A 109 2.398 1.581 1.669 1.00 0.74 H new ATOM 0 HG22 VAL A 109 2.918 3.236 1.269 1.00 0.74 H new ATOM 0 HG23 VAL A 109 3.565 2.425 2.715 1.00 0.74 H new ATOM 276 N GLY A 110 3.654 5.444 2.102 1.00 0.72 N ATOM 277 CA GLY A 110 4.214 5.973 0.853 1.00 0.83 C ATOM 278 C GLY A 110 4.560 4.856 -0.142 1.00 0.80 C ATOM 279 O GLY A 110 5.503 4.106 0.107 1.00 1.29 O ATOM 0 H GLY A 110 4.367 5.098 2.745 1.00 0.72 H new ATOM 0 HA2 GLY A 110 3.498 6.657 0.396 1.00 0.83 H new ATOM 0 HA3 GLY A 110 5.111 6.552 1.074 1.00 0.83 H new ATOM 283 N CYS A 111 3.852 4.783 -1.276 1.00 0.43 N ATOM 284 CA CYS A 111 4.121 3.871 -2.384 1.00 0.58 C ATOM 285 C CYS A 111 4.640 4.590 -3.656 1.00 0.55 C ATOM 286 O CYS A 111 3.962 5.477 -4.190 1.00 0.59 O ATOM 287 CB CYS A 111 2.801 3.146 -2.675 1.00 0.89 C ATOM 288 SG CYS A 111 2.829 2.262 -4.274 1.00 1.04 S ATOM 0 H CYS A 111 3.045 5.383 -1.449 1.00 0.43 H new ATOM 0 HA CYS A 111 4.917 3.181 -2.103 1.00 0.58 H new ATOM 0 HB2 CYS A 111 2.596 2.436 -1.874 1.00 0.89 H new ATOM 0 HB3 CYS A 111 1.985 3.869 -2.677 1.00 0.89 H new ATOM 0 HG CYS A 111 2.304 1.082 -4.127 1.00 1.04 H new ATOM 293 N THR A 112 5.765 4.126 -4.223 1.00 0.66 N ATOM 294 CA THR A 112 6.232 4.532 -5.564 1.00 0.76 C ATOM 295 C THR A 112 6.149 3.435 -6.624 1.00 0.78 C ATOM 296 O THR A 112 7.028 3.305 -7.471 1.00 1.22 O ATOM 297 CB THR A 112 7.648 5.101 -5.561 1.00 0.92 C ATOM 298 OG1 THR A 112 8.540 4.225 -4.909 1.00 0.98 O ATOM 299 CG2 THR A 112 7.703 6.467 -4.918 1.00 0.91 C ATOM 0 H THR A 112 6.381 3.455 -3.764 1.00 0.66 H new ATOM 0 HA THR A 112 5.527 5.317 -5.837 1.00 0.76 H new ATOM 0 HB THR A 112 7.952 5.207 -6.602 1.00 0.92 H new ATOM 0 HG1 THR A 112 8.587 3.379 -5.402 1.00 0.98 H new ATOM 0 HG21 THR A 112 8.728 6.837 -4.936 1.00 0.91 H new ATOM 0 HG22 THR A 112 7.060 7.154 -5.468 1.00 0.91 H new ATOM 0 HG23 THR A 112 7.361 6.397 -3.886 1.00 0.91 H new ATOM 307 N GLY A 113 5.156 2.553 -6.586 1.00 0.60 N ATOM 308 CA GLY A 113 4.955 1.559 -7.655 1.00 0.65 C ATOM 309 C GLY A 113 5.777 0.278 -7.503 1.00 1.01 C ATOM 310 O GLY A 113 5.378 -0.812 -7.916 1.00 2.04 O ATOM 0 H GLY A 113 4.473 2.499 -5.830 1.00 0.60 H new ATOM 0 HA2 GLY A 113 3.898 1.294 -7.691 1.00 0.65 H new ATOM 0 HA3 GLY A 113 5.201 2.020 -8.612 1.00 0.65 H new ATOM 314 N SER A 114 6.951 0.465 -6.912 1.00 1.37 N ATOM 315 CA SER A 114 8.072 -0.435 -6.633 1.00 1.65 C ATOM 316 C SER A 114 9.196 0.435 -6.000 1.00 1.52 C ATOM 317 O SER A 114 9.023 1.662 -5.939 1.00 1.55 O ATOM 318 CB SER A 114 8.516 -1.150 -7.928 1.00 2.24 C ATOM 319 OG SER A 114 9.348 -0.321 -8.711 1.00 3.67 O ATOM 0 H SER A 114 7.174 1.397 -6.563 1.00 1.37 H new ATOM 0 HA SER A 114 7.799 -1.229 -5.938 1.00 1.65 H new ATOM 0 HB2 SER A 114 9.047 -2.068 -7.676 1.00 2.24 H new ATOM 0 HB3 SER A 114 7.638 -1.438 -8.506 1.00 2.24 H new ATOM 0 HG SER A 114 8.848 0.003 -9.489 1.00 3.67 H new ATOM 325 N PRO A 115 10.357 -0.111 -5.578 1.00 1.75 N ATOM 326 CA PRO A 115 11.521 0.716 -5.242 1.00 1.93 C ATOM 327 C PRO A 115 12.091 1.485 -6.449 1.00 1.87 C ATOM 328 O PRO A 115 12.863 2.418 -6.253 1.00 2.47 O ATOM 329 CB PRO A 115 12.561 -0.247 -4.657 1.00 2.45 C ATOM 330 CG PRO A 115 12.182 -1.598 -5.257 1.00 2.55 C ATOM 331 CD PRO A 115 10.660 -1.517 -5.344 1.00 2.16 C ATOM 0 HA PRO A 115 11.235 1.494 -4.534 1.00 1.93 H new ATOM 0 HB2 PRO A 115 13.575 0.043 -4.933 1.00 2.45 H new ATOM 0 HB3 PRO A 115 12.520 -0.267 -3.568 1.00 2.45 H new ATOM 0 HG2 PRO A 115 12.635 -1.746 -6.237 1.00 2.55 H new ATOM 0 HG3 PRO A 115 12.507 -2.426 -4.627 1.00 2.55 H new ATOM 0 HD2 PRO A 115 10.280 -2.140 -6.153 1.00 2.16 H new ATOM 0 HD3 PRO A 115 10.195 -1.871 -4.424 1.00 2.16 H new ATOM 339 N ALA A 116 11.715 1.121 -7.683 1.00 1.62 N ATOM 340 CA ALA A 116 12.109 1.776 -8.927 1.00 1.82 C ATOM 341 C ALA A 116 10.982 2.683 -9.473 1.00 1.63 C ATOM 342 O ALA A 116 10.504 2.484 -10.592 1.00 2.30 O ATOM 343 CB ALA A 116 12.558 0.678 -9.906 1.00 2.17 C ATOM 0 H ALA A 116 11.099 0.324 -7.843 1.00 1.62 H new ATOM 0 HA ALA A 116 12.945 2.457 -8.764 1.00 1.82 H new ATOM 0 HB1 ALA A 116 12.860 1.133 -10.849 1.00 2.17 H new ATOM 0 HB2 ALA A 116 13.400 0.133 -9.480 1.00 2.17 H new ATOM 0 HB3 ALA A 116 11.732 -0.011 -10.084 1.00 2.17 H new ATOM 349 N GLY A 117 10.513 3.627 -8.639 1.00 1.25 N ATOM 350 CA GLY A 117 9.865 4.902 -9.029 1.00 1.26 C ATOM 351 C GLY A 117 8.644 4.837 -9.951 1.00 1.38 C ATOM 352 O GLY A 117 8.350 5.804 -10.642 1.00 2.37 O ATOM 0 H GLY A 117 10.576 3.522 -7.626 1.00 1.25 H new ATOM 0 HA2 GLY A 117 9.567 5.417 -8.116 1.00 1.26 H new ATOM 0 HA3 GLY A 117 10.617 5.524 -9.515 1.00 1.26 H new ATOM 356 N SER A 118 7.964 3.700 -10.030 1.00 0.77 N ATOM 357 CA SER A 118 7.431 3.204 -11.294 1.00 0.77 C ATOM 358 C SER A 118 6.255 3.983 -11.852 1.00 0.79 C ATOM 359 O SER A 118 6.078 3.964 -13.066 1.00 1.02 O ATOM 360 CB SER A 118 7.009 1.746 -11.148 1.00 0.83 C ATOM 361 OG SER A 118 8.124 0.953 -10.770 1.00 1.62 O ATOM 0 H SER A 118 7.767 3.100 -9.229 1.00 0.77 H new ATOM 0 HA SER A 118 8.250 3.326 -12.003 1.00 0.77 H new ATOM 0 HB2 SER A 118 6.221 1.660 -10.400 1.00 0.83 H new ATOM 0 HB3 SER A 118 6.596 1.382 -12.089 1.00 0.83 H new ATOM 0 HG SER A 118 8.927 1.513 -10.737 1.00 1.62 H new ATOM 367 N HIS A 119 5.464 4.648 -11.010 1.00 0.72 N ATOM 368 CA HIS A 119 4.456 5.605 -11.498 1.00 0.82 C ATOM 369 C HIS A 119 4.734 7.099 -11.266 1.00 1.12 C ATOM 370 O HIS A 119 4.163 7.932 -11.964 1.00 2.79 O ATOM 371 CB HIS A 119 3.109 5.258 -10.873 1.00 0.61 C ATOM 372 CG HIS A 119 3.110 4.971 -9.388 1.00 0.45 C ATOM 373 ND1 HIS A 119 2.991 5.879 -8.383 1.00 0.47 N ATOM 374 CD2 HIS A 119 2.948 3.723 -8.876 1.00 0.46 C ATOM 375 CE1 HIS A 119 2.710 5.244 -7.244 1.00 0.47 C ATOM 376 NE2 HIS A 119 2.619 3.930 -7.525 1.00 0.45 N ATOM 0 H HIS A 119 5.496 4.547 -9.995 1.00 0.72 H new ATOM 0 HA HIS A 119 4.478 5.490 -12.582 1.00 0.82 H new ATOM 0 HB2 HIS A 119 2.423 6.084 -11.061 1.00 0.61 H new ATOM 0 HB3 HIS A 119 2.708 4.386 -11.389 1.00 0.61 H new ATOM 0 HD1 HIS A 119 3.100 6.888 -8.484 1.00 0.47 H new ATOM 0 HD2 HIS A 119 3.050 2.780 -9.393 1.00 0.46 H new ATOM 0 HE1 HIS A 119 2.579 5.700 -6.274 1.00 0.47 H new ATOM 384 N THR A 120 5.532 7.382 -10.234 1.00 1.42 N ATOM 385 CA THR A 120 5.547 8.510 -9.296 1.00 1.29 C ATOM 386 C THR A 120 5.383 7.966 -7.879 1.00 1.15 C ATOM 387 O THR A 120 5.772 6.830 -7.622 1.00 1.18 O ATOM 388 CB THR A 120 4.680 9.698 -9.709 1.00 1.44 C ATOM 389 OG1 THR A 120 5.126 10.804 -8.968 1.00 1.51 O ATOM 390 CG2 THR A 120 3.177 9.576 -9.485 1.00 1.39 C ATOM 0 H THR A 120 6.287 6.736 -10.005 1.00 1.42 H new ATOM 0 HA THR A 120 6.519 9.003 -9.322 1.00 1.29 H new ATOM 0 HB THR A 120 4.795 9.778 -10.790 1.00 1.44 H new ATOM 0 HG1 THR A 120 4.594 11.592 -9.205 1.00 1.51 H new ATOM 0 HG21 THR A 120 2.684 10.488 -9.822 1.00 1.39 H new ATOM 0 HG22 THR A 120 2.793 8.726 -10.049 1.00 1.39 H new ATOM 0 HG23 THR A 120 2.978 9.427 -8.424 1.00 1.39 H new ATOM 398 N ILE A 121 4.829 8.758 -6.971 1.00 1.10 N ATOM 399 CA ILE A 121 4.627 8.561 -5.540 1.00 1.04 C ATOM 400 C ILE A 121 3.197 8.854 -5.111 1.00 0.98 C ATOM 401 O ILE A 121 2.579 9.817 -5.547 1.00 1.05 O ATOM 402 CB ILE A 121 5.623 9.449 -4.755 1.00 1.15 C ATOM 403 CG1 ILE A 121 5.352 9.417 -3.247 1.00 0.98 C ATOM 404 CG2 ILE A 121 5.591 10.932 -5.134 1.00 1.40 C ATOM 405 CD1 ILE A 121 5.722 8.119 -2.570 1.00 0.87 C ATOM 0 H ILE A 121 4.465 9.667 -7.256 1.00 1.10 H new ATOM 0 HA ILE A 121 4.811 7.510 -5.316 1.00 1.04 H new ATOM 0 HB ILE A 121 6.589 9.019 -5.019 1.00 1.15 H new ATOM 0 HG12 ILE A 121 5.905 10.229 -2.774 1.00 0.98 H new ATOM 0 HG13 ILE A 121 4.293 9.611 -3.077 1.00 0.98 H new ATOM 0 HG21 ILE A 121 6.320 11.477 -4.534 1.00 1.40 H new ATOM 0 HG22 ILE A 121 5.835 11.043 -6.191 1.00 1.40 H new ATOM 0 HG23 ILE A 121 4.595 11.334 -4.947 1.00 1.40 H new ATOM 0 HD11 ILE A 121 5.496 8.186 -1.506 1.00 0.87 H new ATOM 0 HD12 ILE A 121 5.150 7.303 -3.011 1.00 0.87 H new ATOM 0 HD13 ILE A 121 6.787 7.930 -2.704 1.00 0.87 H new ATOM 417 N MET A 122 2.735 8.037 -4.165 1.00 0.92 N ATOM 418 CA MET A 122 1.428 8.076 -3.557 1.00 0.95 C ATOM 419 C MET A 122 1.390 7.935 -2.044 1.00 0.92 C ATOM 420 O MET A 122 2.285 7.343 -1.450 1.00 0.95 O ATOM 421 CB MET A 122 0.751 6.877 -4.182 1.00 1.19 C ATOM 422 CG MET A 122 0.394 7.278 -5.582 1.00 1.07 C ATOM 423 SD MET A 122 -0.691 8.722 -5.808 1.00 3.14 S ATOM 424 CE MET A 122 -1.751 8.744 -4.329 1.00 3.72 C ATOM 0 H MET A 122 3.311 7.285 -3.786 1.00 0.92 H new ATOM 0 HA MET A 122 0.966 9.048 -3.728 1.00 0.95 H new ATOM 0 HB2 MET A 122 1.414 6.012 -4.182 1.00 1.19 H new ATOM 0 HB3 MET A 122 -0.139 6.596 -3.619 1.00 1.19 H new ATOM 0 HG2 MET A 122 1.322 7.470 -6.121 1.00 1.07 H new ATOM 0 HG3 MET A 122 -0.083 6.424 -6.063 1.00 1.07 H new ATOM 0 HE1 MET A 122 -2.736 9.130 -4.593 1.00 3.72 H new ATOM 0 HE2 MET A 122 -1.851 7.731 -3.938 1.00 3.72 H new ATOM 0 HE3 MET A 122 -1.302 9.383 -3.569 1.00 3.72 H new ATOM 434 N TRP A 123 0.281 8.388 -1.448 1.00 0.90 N ATOM 435 CA TRP A 123 0.036 8.293 -0.005 1.00 0.83 C ATOM 436 C TRP A 123 -1.317 7.620 0.260 1.00 0.76 C ATOM 437 O TRP A 123 -2.358 8.159 -0.120 1.00 0.97 O ATOM 438 CB TRP A 123 0.148 9.661 0.689 1.00 1.02 C ATOM 439 CG TRP A 123 1.148 10.617 0.113 1.00 1.18 C ATOM 440 CD1 TRP A 123 0.855 11.722 -0.610 1.00 1.46 C ATOM 441 CD2 TRP A 123 2.608 10.559 0.175 1.00 1.35 C ATOM 442 NE1 TRP A 123 2.024 12.352 -0.994 1.00 1.61 N ATOM 443 CE2 TRP A 123 3.135 11.681 -0.531 1.00 1.50 C ATOM 444 CE3 TRP A 123 3.538 9.672 0.759 1.00 1.66 C ATOM 445 CZ2 TRP A 123 4.514 11.919 -0.641 1.00 1.71 C ATOM 446 CZ3 TRP A 123 4.924 9.905 0.663 1.00 1.99 C ATOM 447 CH2 TRP A 123 5.412 11.026 -0.034 1.00 1.93 C ATOM 0 H TRP A 123 -0.479 8.836 -1.960 1.00 0.90 H new ATOM 0 HA TRP A 123 0.815 7.668 0.432 1.00 0.83 H new ATOM 0 HB2 TRP A 123 -0.832 10.137 0.667 1.00 1.02 H new ATOM 0 HB3 TRP A 123 0.398 9.494 1.737 1.00 1.02 H new ATOM 0 HD1 TRP A 123 -0.142 12.061 -0.851 1.00 1.46 H new ATOM 0 HE1 TRP A 123 2.060 13.206 -1.550 1.00 1.61 H new ATOM 0 HE3 TRP A 123 3.181 8.801 1.288 1.00 1.66 H new ATOM 0 HZ2 TRP A 123 4.880 12.777 -1.185 1.00 1.71 H new ATOM 0 HZ3 TRP A 123 5.617 9.219 1.127 1.00 1.99 H new ATOM 0 HH2 TRP A 123 6.476 11.199 -0.102 1.00 1.93 H new ATOM 458 N LEU A 124 -1.312 6.424 0.858 1.00 0.60 N ATOM 459 CA LEU A 124 -2.506 5.572 1.013 1.00 0.64 C ATOM 460 C LEU A 124 -2.735 5.269 2.499 1.00 0.61 C ATOM 461 O LEU A 124 -1.808 5.397 3.296 1.00 0.57 O ATOM 462 CB LEU A 124 -2.367 4.272 0.185 1.00 0.72 C ATOM 463 CG LEU A 124 -1.535 4.378 -1.116 1.00 0.77 C ATOM 464 CD1 LEU A 124 -1.173 2.993 -1.634 1.00 0.88 C ATOM 465 CD2 LEU A 124 -2.299 5.158 -2.189 1.00 0.89 C ATOM 0 H LEU A 124 -0.468 6.011 1.255 1.00 0.60 H new ATOM 0 HA LEU A 124 -3.376 6.106 0.632 1.00 0.64 H new ATOM 0 HB2 LEU A 124 -1.916 3.508 0.819 1.00 0.72 H new ATOM 0 HB3 LEU A 124 -3.366 3.922 -0.074 1.00 0.72 H new ATOM 0 HG LEU A 124 -0.616 4.917 -0.885 1.00 0.77 H new ATOM 0 HD11 LEU A 124 -0.588 3.088 -2.549 1.00 0.88 H new ATOM 0 HD12 LEU A 124 -0.587 2.465 -0.882 1.00 0.88 H new ATOM 0 HD13 LEU A 124 -2.084 2.433 -1.842 1.00 0.88 H new ATOM 0 HD21 LEU A 124 -1.694 5.219 -3.094 1.00 0.89 H new ATOM 0 HD22 LEU A 124 -3.236 4.647 -2.412 1.00 0.89 H new ATOM 0 HD23 LEU A 124 -2.512 6.163 -1.826 1.00 0.89 H new ATOM 477 N LYS A 125 -3.945 4.876 2.914 1.00 0.71 N ATOM 478 CA LYS A 125 -4.312 4.863 4.345 1.00 0.78 C ATOM 479 C LYS A 125 -4.869 3.500 4.818 1.00 0.69 C ATOM 480 O LYS A 125 -6.085 3.351 4.922 1.00 0.86 O ATOM 481 CB LYS A 125 -5.248 6.068 4.624 1.00 1.18 C ATOM 482 CG LYS A 125 -5.011 6.764 5.978 1.00 2.07 C ATOM 483 CD LYS A 125 -5.118 5.895 7.240 1.00 3.14 C ATOM 484 CE LYS A 125 -6.510 5.280 7.435 1.00 3.94 C ATOM 485 NZ LYS A 125 -6.516 4.336 8.576 1.00 5.10 N ATOM 0 H LYS A 125 -4.687 4.563 2.287 1.00 0.71 H new ATOM 0 HA LYS A 125 -3.414 4.983 4.951 1.00 0.78 H new ATOM 0 HB2 LYS A 125 -5.123 6.801 3.827 1.00 1.18 H new ATOM 0 HB3 LYS A 125 -6.282 5.725 4.582 1.00 1.18 H new ATOM 0 HG2 LYS A 125 -4.017 7.212 5.959 1.00 2.07 H new ATOM 0 HG3 LYS A 125 -5.727 7.581 6.068 1.00 2.07 H new ATOM 0 HD2 LYS A 125 -4.379 5.095 7.186 1.00 3.14 H new ATOM 0 HD3 LYS A 125 -4.870 6.500 8.112 1.00 3.14 H new ATOM 0 HE2 LYS A 125 -7.240 6.071 7.608 1.00 3.94 H new ATOM 0 HE3 LYS A 125 -6.813 4.760 6.526 1.00 3.94 H new ATOM 0 HZ1 LYS A 125 -7.064 3.489 8.323 1.00 5.10 H new ATOM 0 HZ2 LYS A 125 -5.539 4.061 8.804 1.00 5.10 H new ATOM 0 HZ3 LYS A 125 -6.949 4.794 9.403 1.00 5.10 H new ATOM 499 N PRO A 126 -4.011 2.503 5.122 1.00 0.61 N ATOM 500 CA PRO A 126 -4.427 1.256 5.765 1.00 0.81 C ATOM 501 C PRO A 126 -4.665 1.470 7.274 1.00 1.19 C ATOM 502 O PRO A 126 -4.461 2.569 7.796 1.00 2.57 O ATOM 503 CB PRO A 126 -3.290 0.276 5.463 1.00 0.86 C ATOM 504 CG PRO A 126 -2.054 1.177 5.483 1.00 0.69 C ATOM 505 CD PRO A 126 -2.573 2.479 4.873 1.00 0.63 C ATOM 0 HA PRO A 126 -5.378 0.874 5.393 1.00 0.81 H new ATOM 0 HB2 PRO A 126 -3.227 -0.514 6.211 1.00 0.86 H new ATOM 0 HB3 PRO A 126 -3.421 -0.210 4.496 1.00 0.86 H new ATOM 0 HG2 PRO A 126 -1.679 1.326 6.495 1.00 0.69 H new ATOM 0 HG3 PRO A 126 -1.236 0.755 4.899 1.00 0.69 H new ATOM 0 HD2 PRO A 126 -2.085 3.342 5.326 1.00 0.63 H new ATOM 0 HD3 PRO A 126 -2.363 2.519 3.804 1.00 0.63 H new ATOM 513 N THR A 127 -5.099 0.417 7.976 1.00 0.50 N ATOM 514 CA THR A 127 -5.451 0.392 9.409 1.00 0.51 C ATOM 515 C THR A 127 -5.209 -1.020 9.928 1.00 0.50 C ATOM 516 O THR A 127 -5.196 -1.949 9.128 1.00 0.46 O ATOM 517 CB THR A 127 -6.938 0.710 9.609 1.00 0.63 C ATOM 518 OG1 THR A 127 -7.384 1.759 8.784 1.00 0.87 O ATOM 519 CG2 THR A 127 -7.362 1.013 11.036 1.00 0.70 C ATOM 0 H THR A 127 -5.223 -0.496 7.538 1.00 0.50 H new ATOM 0 HA THR A 127 -4.848 1.132 9.936 1.00 0.51 H new ATOM 0 HB THR A 127 -7.413 -0.229 9.326 1.00 0.63 H new ATOM 0 HG1 THR A 127 -8.303 1.580 8.496 1.00 0.87 H new ATOM 0 HG21 THR A 127 -8.431 1.223 11.061 1.00 0.70 H new ATOM 0 HG22 THR A 127 -7.146 0.153 11.670 1.00 0.70 H new ATOM 0 HG23 THR A 127 -6.813 1.880 11.402 1.00 0.70 H new ATOM 527 N VAL A 128 -5.055 -1.208 11.234 1.00 0.62 N ATOM 528 CA VAL A 128 -4.667 -2.489 11.854 1.00 0.59 C ATOM 529 C VAL A 128 -5.559 -3.670 11.436 1.00 0.50 C ATOM 530 O VAL A 128 -5.068 -4.751 11.116 1.00 0.56 O ATOM 531 CB VAL A 128 -4.561 -2.360 13.393 1.00 0.79 C ATOM 532 CG1 VAL A 128 -5.809 -1.695 13.988 1.00 0.87 C ATOM 533 CG2 VAL A 128 -4.263 -3.719 14.055 1.00 1.02 C ATOM 0 H VAL A 128 -5.198 -0.462 11.915 1.00 0.62 H new ATOM 0 HA VAL A 128 -3.675 -2.724 11.467 1.00 0.59 H new ATOM 0 HB VAL A 128 -3.716 -1.707 13.610 1.00 0.79 H new ATOM 0 HG11 VAL A 128 -5.701 -1.620 15.070 1.00 0.87 H new ATOM 0 HG12 VAL A 128 -5.926 -0.697 13.565 1.00 0.87 H new ATOM 0 HG13 VAL A 128 -6.688 -2.294 13.752 1.00 0.87 H new ATOM 0 HG21 VAL A 128 -4.195 -3.590 15.135 1.00 1.02 H new ATOM 0 HG22 VAL A 128 -5.064 -4.420 13.823 1.00 1.02 H new ATOM 0 HG23 VAL A 128 -3.318 -4.109 13.676 1.00 1.02 H new ATOM 543 N ASN A 129 -6.874 -3.436 11.384 1.00 0.61 N ATOM 544 CA ASN A 129 -7.887 -4.417 10.977 1.00 0.80 C ATOM 545 C ASN A 129 -7.973 -4.620 9.450 1.00 0.77 C ATOM 546 O ASN A 129 -8.792 -5.405 8.976 1.00 0.98 O ATOM 547 CB ASN A 129 -9.236 -3.990 11.586 1.00 1.10 C ATOM 548 CG ASN A 129 -9.243 -4.138 13.104 1.00 1.28 C ATOM 549 OD1 ASN A 129 -9.238 -5.240 13.629 1.00 1.48 O ATOM 550 ND2 ASN A 129 -9.249 -3.050 13.855 1.00 1.57 N ATOM 0 H ASN A 129 -7.276 -2.532 11.631 1.00 0.61 H new ATOM 0 HA ASN A 129 -7.597 -5.396 11.358 1.00 0.80 H new ATOM 0 HB2 ASN A 129 -9.443 -2.953 11.321 1.00 1.10 H new ATOM 0 HB3 ASN A 129 -10.036 -4.594 11.158 1.00 1.10 H new ATOM 0 HD21 ASN A 129 -9.249 -3.132 14.872 1.00 1.57 H new ATOM 0 HD22 ASN A 129 -9.253 -2.128 13.418 1.00 1.57 H new ATOM 557 N GLU A 130 -7.178 -3.879 8.676 1.00 0.58 N ATOM 558 CA GLU A 130 -7.527 -3.470 7.316 1.00 0.53 C ATOM 559 C GLU A 130 -6.341 -3.518 6.360 1.00 0.45 C ATOM 560 O GLU A 130 -5.267 -4.015 6.676 1.00 0.58 O ATOM 561 CB GLU A 130 -8.084 -2.037 7.327 1.00 0.71 C ATOM 562 CG GLU A 130 -9.161 -1.837 8.384 1.00 0.72 C ATOM 563 CD GLU A 130 -9.798 -0.444 8.315 1.00 1.26 C ATOM 564 OE1 GLU A 130 -9.228 0.427 7.612 1.00 2.35 O ATOM 565 OE2 GLU A 130 -10.738 -0.209 9.095 1.00 2.05 O ATOM 0 H GLU A 130 -6.264 -3.543 8.980 1.00 0.58 H new ATOM 0 HA GLU A 130 -8.275 -4.179 6.962 1.00 0.53 H new ATOM 0 HB2 GLU A 130 -7.269 -1.336 7.506 1.00 0.71 H new ATOM 0 HB3 GLU A 130 -8.496 -1.803 6.345 1.00 0.71 H new ATOM 0 HG2 GLU A 130 -9.935 -2.594 8.257 1.00 0.72 H new ATOM 0 HG3 GLU A 130 -8.728 -1.987 9.373 1.00 0.72 H new ATOM 572 N VAL A 131 -6.574 -2.998 5.158 1.00 0.44 N ATOM 573 CA VAL A 131 -5.687 -2.969 4.005 1.00 0.47 C ATOM 574 C VAL A 131 -6.073 -1.749 3.142 1.00 0.47 C ATOM 575 O VAL A 131 -7.198 -1.263 3.259 1.00 0.54 O ATOM 576 CB VAL A 131 -5.818 -4.262 3.184 1.00 0.55 C ATOM 577 CG1 VAL A 131 -5.296 -5.460 3.978 1.00 0.60 C ATOM 578 CG2 VAL A 131 -7.260 -4.561 2.753 1.00 0.60 C ATOM 0 H VAL A 131 -7.466 -2.548 4.951 1.00 0.44 H new ATOM 0 HA VAL A 131 -4.651 -2.892 4.335 1.00 0.47 H new ATOM 0 HB VAL A 131 -5.221 -4.102 2.286 1.00 0.55 H new ATOM 0 HG11 VAL A 131 -5.398 -6.365 3.380 1.00 0.60 H new ATOM 0 HG12 VAL A 131 -4.246 -5.304 4.224 1.00 0.60 H new ATOM 0 HG13 VAL A 131 -5.872 -5.566 4.897 1.00 0.60 H new ATOM 0 HG21 VAL A 131 -7.283 -5.486 2.177 1.00 0.60 H new ATOM 0 HG22 VAL A 131 -7.889 -4.667 3.637 1.00 0.60 H new ATOM 0 HG23 VAL A 131 -7.633 -3.742 2.138 1.00 0.60 H new ATOM 588 N ALA A 132 -5.199 -1.274 2.249 1.00 0.44 N ATOM 589 CA ALA A 132 -5.479 -0.181 1.307 1.00 0.45 C ATOM 590 C ALA A 132 -4.851 -0.468 -0.069 1.00 0.43 C ATOM 591 O ALA A 132 -3.662 -0.757 -0.125 1.00 0.50 O ATOM 592 CB ALA A 132 -4.939 1.122 1.912 1.00 0.52 C ATOM 0 H ALA A 132 -4.254 -1.647 2.157 1.00 0.44 H new ATOM 0 HA ALA A 132 -6.553 -0.089 1.147 1.00 0.45 H new ATOM 0 HB1 ALA A 132 -5.136 1.949 1.230 1.00 0.52 H new ATOM 0 HB2 ALA A 132 -5.433 1.313 2.865 1.00 0.52 H new ATOM 0 HB3 ALA A 132 -3.865 1.031 2.072 1.00 0.52 H new ATOM 598 N ARG A 133 -5.606 -0.339 -1.172 1.00 0.49 N ATOM 599 CA ARG A 133 -5.049 -0.419 -2.528 1.00 0.45 C ATOM 600 C ARG A 133 -4.664 0.976 -3.002 1.00 0.40 C ATOM 601 O ARG A 133 -5.467 1.907 -2.895 1.00 0.47 O ATOM 602 CB ARG A 133 -6.008 -1.079 -3.545 1.00 0.59 C ATOM 603 CG ARG A 133 -5.219 -1.693 -4.725 1.00 0.68 C ATOM 604 CD ARG A 133 -6.035 -1.960 -6.000 1.00 1.01 C ATOM 605 NE ARG A 133 -6.049 -0.755 -6.844 1.00 2.24 N ATOM 606 CZ ARG A 133 -5.849 -0.663 -8.153 1.00 3.40 C ATOM 607 NH1 ARG A 133 -6.050 -1.660 -8.985 1.00 3.70 N ATOM 608 NH2 ARG A 133 -5.394 0.467 -8.644 1.00 5.06 N ATOM 0 H ARG A 133 -6.613 -0.177 -1.148 1.00 0.49 H new ATOM 0 HA ARG A 133 -4.169 -1.060 -2.474 1.00 0.45 H new ATOM 0 HB2 ARG A 133 -6.593 -1.854 -3.050 1.00 0.59 H new ATOM 0 HB3 ARG A 133 -6.714 -0.338 -3.920 1.00 0.59 H new ATOM 0 HG2 ARG A 133 -4.395 -1.024 -4.975 1.00 0.68 H new ATOM 0 HG3 ARG A 133 -4.777 -2.633 -4.394 1.00 0.68 H new ATOM 0 HD2 ARG A 133 -5.603 -2.796 -6.551 1.00 1.01 H new ATOM 0 HD3 ARG A 133 -7.054 -2.243 -5.738 1.00 1.01 H new ATOM 0 HE ARG A 133 -6.237 0.123 -6.361 1.00 2.24 H new ATOM 0 HH11 ARG A 133 -6.376 -2.560 -8.633 1.00 3.70 H new ATOM 0 HH12 ARG A 133 -5.880 -1.534 -9.983 1.00 3.70 H new ATOM 0 HH21 ARG A 133 -5.201 1.252 -8.022 1.00 5.06 H new ATOM 0 HH22 ARG A 133 -5.233 0.559 -9.647 1.00 5.06 H new ATOM 622 N CYS A 134 -3.477 1.086 -3.586 1.00 0.42 N ATOM 623 CA CYS A 134 -3.082 2.209 -4.415 1.00 0.45 C ATOM 624 C CYS A 134 -4.068 2.429 -5.573 1.00 0.56 C ATOM 625 O CYS A 134 -4.733 1.500 -6.034 1.00 0.95 O ATOM 626 CB CYS A 134 -1.673 1.851 -4.885 1.00 0.46 C ATOM 627 SG CYS A 134 -0.735 3.174 -5.711 1.00 0.65 S ATOM 0 H CYS A 134 -2.748 0.378 -3.492 1.00 0.42 H new ATOM 0 HA CYS A 134 -3.091 3.158 -3.878 1.00 0.45 H new ATOM 0 HB2 CYS A 134 -1.100 1.514 -4.021 1.00 0.46 H new ATOM 0 HB3 CYS A 134 -1.746 1.005 -5.569 1.00 0.46 H new ATOM 0 HG CYS A 134 0.303 2.664 -6.305 1.00 0.65 H new ATOM 632 N TRP A 135 -4.143 3.649 -6.088 1.00 0.64 N ATOM 633 CA TRP A 135 -4.816 3.900 -7.361 1.00 0.69 C ATOM 634 C TRP A 135 -3.854 3.775 -8.554 1.00 0.66 C ATOM 635 O TRP A 135 -4.334 3.610 -9.668 1.00 0.80 O ATOM 636 CB TRP A 135 -5.527 5.252 -7.305 1.00 0.77 C ATOM 637 CG TRP A 135 -4.657 6.455 -7.428 1.00 0.79 C ATOM 638 CD1 TRP A 135 -3.952 7.036 -6.430 1.00 0.89 C ATOM 639 CD2 TRP A 135 -4.240 7.135 -8.656 1.00 0.87 C ATOM 640 NE1 TRP A 135 -3.342 8.159 -6.937 1.00 1.00 N ATOM 641 CE2 TRP A 135 -3.381 8.210 -8.303 1.00 1.00 C ATOM 642 CE3 TRP A 135 -4.367 6.858 -10.035 1.00 0.96 C ATOM 643 CZ2 TRP A 135 -2.684 8.981 -9.243 1.00 1.17 C ATOM 644 CZ3 TRP A 135 -3.612 7.568 -10.987 1.00 1.13 C ATOM 645 CH2 TRP A 135 -2.783 8.640 -10.600 1.00 1.23 C ATOM 0 H TRP A 135 -3.748 4.480 -5.647 1.00 0.64 H new ATOM 0 HA TRP A 135 -5.572 3.131 -7.521 1.00 0.69 H new ATOM 0 HB2 TRP A 135 -6.270 5.283 -8.102 1.00 0.77 H new ATOM 0 HB3 TRP A 135 -6.069 5.316 -6.362 1.00 0.77 H new ATOM 0 HD1 TRP A 135 -3.881 6.680 -5.413 1.00 0.89 H new ATOM 0 HE1 TRP A 135 -2.907 8.877 -6.357 1.00 1.00 H new ATOM 0 HE3 TRP A 135 -5.053 6.091 -10.363 1.00 0.96 H new ATOM 0 HZ2 TRP A 135 -2.082 9.821 -8.929 1.00 1.17 H new ATOM 0 HZ3 TRP A 135 -3.669 7.288 -12.028 1.00 1.13 H new ATOM 0 HH2 TRP A 135 -2.228 9.195 -11.342 1.00 1.23 H new ATOM 656 N GLU A 136 -2.536 3.815 -8.305 1.00 0.57 N ATOM 657 CA GLU A 136 -1.495 3.804 -9.333 1.00 0.61 C ATOM 658 C GLU A 136 -1.099 2.345 -9.666 1.00 0.70 C ATOM 659 O GLU A 136 -1.842 1.656 -10.344 1.00 1.08 O ATOM 660 CB GLU A 136 -0.317 4.697 -8.938 1.00 0.58 C ATOM 661 CG GLU A 136 -0.743 6.159 -8.770 1.00 0.66 C ATOM 662 CD GLU A 136 0.288 7.123 -9.322 1.00 1.21 C ATOM 663 OE1 GLU A 136 0.395 7.210 -10.560 1.00 1.47 O ATOM 664 OE2 GLU A 136 1.059 7.674 -8.512 1.00 2.22 O ATOM 0 H GLU A 136 -2.160 3.857 -7.358 1.00 0.57 H new ATOM 0 HA GLU A 136 -1.883 4.238 -10.254 1.00 0.61 H new ATOM 0 HB2 GLU A 136 0.117 4.335 -8.006 1.00 0.58 H new ATOM 0 HB3 GLU A 136 0.461 4.630 -9.699 1.00 0.58 H new ATOM 0 HG2 GLU A 136 -1.695 6.319 -9.276 1.00 0.66 H new ATOM 0 HG3 GLU A 136 -0.905 6.369 -7.713 1.00 0.66 H new ATOM 671 N CYS A 137 0.023 1.802 -9.167 1.00 0.59 N ATOM 672 CA CYS A 137 0.493 0.435 -9.445 1.00 0.64 C ATOM 673 C CYS A 137 -0.454 -0.711 -9.019 1.00 0.78 C ATOM 674 O CYS A 137 -0.169 -1.888 -9.296 1.00 1.24 O ATOM 675 CB CYS A 137 1.809 0.269 -8.696 1.00 0.61 C ATOM 676 SG CYS A 137 1.614 0.482 -6.891 1.00 0.59 S ATOM 0 H CYS A 137 0.645 2.315 -8.542 1.00 0.59 H new ATOM 0 HA CYS A 137 0.570 0.346 -10.529 1.00 0.64 H new ATOM 0 HB2 CYS A 137 2.218 -0.720 -8.900 1.00 0.61 H new ATOM 0 HB3 CYS A 137 2.531 0.996 -9.069 1.00 0.61 H new ATOM 0 HG CYS A 137 2.413 1.419 -6.476 1.00 0.59 H new ATOM 681 N GLY A 138 -1.507 -0.379 -8.269 1.00 0.53 N ATOM 682 CA GLY A 138 -2.529 -1.261 -7.740 1.00 0.55 C ATOM 683 C GLY A 138 -1.992 -2.335 -6.813 1.00 0.62 C ATOM 684 O GLY A 138 -2.624 -3.384 -6.715 1.00 0.77 O ATOM 0 H GLY A 138 -1.673 0.591 -8.000 1.00 0.53 H new ATOM 0 HA2 GLY A 138 -3.266 -0.665 -7.202 1.00 0.55 H new ATOM 0 HA3 GLY A 138 -3.049 -1.738 -8.571 1.00 0.55 H new ATOM 688 N SER A 139 -0.859 -2.119 -6.130 1.00 0.56 N ATOM 689 CA SER A 139 -0.589 -2.956 -4.956 1.00 0.55 C ATOM 690 C SER A 139 -1.589 -2.629 -3.843 1.00 0.46 C ATOM 691 O SER A 139 -2.104 -1.513 -3.762 1.00 0.58 O ATOM 692 CB SER A 139 0.892 -2.987 -4.515 1.00 0.64 C ATOM 693 OG SER A 139 1.071 -2.629 -3.172 1.00 1.57 O ATOM 0 H SER A 139 -0.154 -1.416 -6.352 1.00 0.56 H new ATOM 0 HA SER A 139 -0.754 -3.994 -5.244 1.00 0.55 H new ATOM 0 HB2 SER A 139 1.292 -3.988 -4.675 1.00 0.64 H new ATOM 0 HB3 SER A 139 1.467 -2.309 -5.146 1.00 0.64 H new ATOM 0 HG SER A 139 1.441 -1.723 -3.122 1.00 1.57 H new ATOM 699 N VAL A 140 -1.877 -3.638 -3.024 1.00 0.57 N ATOM 700 CA VAL A 140 -2.615 -3.490 -1.779 1.00 0.43 C ATOM 701 C VAL A 140 -1.556 -3.493 -0.694 1.00 0.41 C ATOM 702 O VAL A 140 -0.612 -4.263 -0.788 1.00 0.48 O ATOM 703 CB VAL A 140 -3.614 -4.651 -1.536 1.00 0.47 C ATOM 704 CG1 VAL A 140 -4.382 -4.498 -0.214 1.00 0.42 C ATOM 705 CG2 VAL A 140 -4.664 -4.840 -2.642 1.00 0.61 C ATOM 0 H VAL A 140 -1.596 -4.600 -3.214 1.00 0.57 H new ATOM 0 HA VAL A 140 -3.215 -2.580 -1.797 1.00 0.43 H new ATOM 0 HB VAL A 140 -2.964 -5.526 -1.517 1.00 0.47 H new ATOM 0 HG11 VAL A 140 -5.068 -5.337 -0.092 1.00 0.42 H new ATOM 0 HG12 VAL A 140 -3.677 -4.483 0.617 1.00 0.42 H new ATOM 0 HG13 VAL A 140 -4.947 -3.566 -0.227 1.00 0.42 H new ATOM 0 HG21 VAL A 140 -5.317 -5.674 -2.385 1.00 0.61 H new ATOM 0 HG22 VAL A 140 -5.257 -3.931 -2.740 1.00 0.61 H new ATOM 0 HG23 VAL A 140 -4.163 -5.050 -3.587 1.00 0.61 H new ATOM 715 N TYR A 141 -1.726 -2.664 0.322 1.00 0.40 N ATOM 716 CA TYR A 141 -0.815 -2.447 1.431 1.00 0.43 C ATOM 717 C TYR A 141 -1.525 -2.707 2.746 1.00 0.44 C ATOM 718 O TYR A 141 -2.682 -2.328 2.925 1.00 0.55 O ATOM 719 CB TYR A 141 -0.340 -0.998 1.397 1.00 0.43 C ATOM 720 CG TYR A 141 0.577 -0.718 0.244 1.00 0.40 C ATOM 721 CD1 TYR A 141 1.942 -0.998 0.422 1.00 2.00 C ATOM 722 CD2 TYR A 141 0.087 -0.257 -0.998 1.00 1.97 C ATOM 723 CE1 TYR A 141 2.833 -0.784 -0.630 1.00 2.04 C ATOM 724 CE2 TYR A 141 0.981 -0.037 -2.057 1.00 1.95 C ATOM 725 CZ TYR A 141 2.361 -0.310 -1.868 1.00 0.47 C ATOM 726 OH TYR A 141 3.238 -0.220 -2.895 1.00 0.57 O ATOM 0 H TYR A 141 -2.562 -2.085 0.398 1.00 0.40 H new ATOM 0 HA TYR A 141 0.033 -3.127 1.344 1.00 0.43 H new ATOM 0 HB2 TYR A 141 -1.205 -0.337 1.337 1.00 0.43 H new ATOM 0 HB3 TYR A 141 0.174 -0.766 2.330 1.00 0.43 H new ATOM 0 HD1 TYR A 141 2.300 -1.377 1.368 1.00 2.00 H new ATOM 0 HD2 TYR A 141 -0.969 -0.075 -1.132 1.00 1.97 H new ATOM 0 HE1 TYR A 141 3.886 -0.982 -0.494 1.00 2.04 H new ATOM 0 HE2 TYR A 141 0.623 0.336 -3.005 1.00 1.95 H new ATOM 0 HH TYR A 141 3.465 0.721 -3.049 1.00 0.57 H new ATOM 736 N LYS A 142 -0.835 -3.345 3.680 1.00 0.36 N ATOM 737 CA LYS A 142 -1.403 -3.742 4.954 1.00 0.26 C ATOM 738 C LYS A 142 -0.654 -3.140 6.127 1.00 0.28 C ATOM 739 O LYS A 142 0.567 -2.972 6.111 1.00 0.37 O ATOM 740 CB LYS A 142 -1.397 -5.264 5.048 1.00 0.46 C ATOM 741 CG LYS A 142 -2.322 -5.678 6.182 1.00 0.58 C ATOM 742 CD LYS A 142 -2.772 -7.129 6.120 1.00 1.22 C ATOM 743 CE LYS A 142 -3.991 -7.203 7.040 1.00 1.38 C ATOM 744 NZ LYS A 142 -4.841 -8.364 6.678 1.00 2.85 N ATOM 0 H LYS A 142 0.146 -3.603 3.571 1.00 0.36 H new ATOM 0 HA LYS A 142 -2.425 -3.366 5.004 1.00 0.26 H new ATOM 0 HB2 LYS A 142 -1.730 -5.703 4.108 1.00 0.46 H new ATOM 0 HB3 LYS A 142 -0.386 -5.629 5.231 1.00 0.46 H new ATOM 0 HG2 LYS A 142 -1.814 -5.507 7.131 1.00 0.58 H new ATOM 0 HG3 LYS A 142 -3.202 -5.035 6.171 1.00 0.58 H new ATOM 0 HD2 LYS A 142 -3.028 -7.420 5.101 1.00 1.22 H new ATOM 0 HD3 LYS A 142 -1.983 -7.802 6.455 1.00 1.22 H new ATOM 0 HE2 LYS A 142 -3.667 -7.290 8.077 1.00 1.38 H new ATOM 0 HE3 LYS A 142 -4.569 -6.282 6.963 1.00 1.38 H new ATOM 0 HZ1 LYS A 142 -5.181 -8.829 7.544 1.00 2.85 H new ATOM 0 HZ2 LYS A 142 -5.655 -8.038 6.118 1.00 2.85 H new ATOM 0 HZ3 LYS A 142 -4.284 -9.040 6.117 1.00 2.85 H new ATOM 758 N LEU A 143 -1.421 -2.842 7.166 1.00 0.33 N ATOM 759 CA LEU A 143 -0.897 -2.351 8.410 1.00 0.38 C ATOM 760 C LEU A 143 -0.899 -3.457 9.454 1.00 0.44 C ATOM 761 O LEU A 143 -1.663 -4.418 9.387 1.00 0.53 O ATOM 762 CB LEU A 143 -1.731 -1.126 8.758 1.00 0.52 C ATOM 763 CG LEU A 143 -1.188 -0.293 9.917 1.00 0.67 C ATOM 764 CD1 LEU A 143 -1.616 1.139 9.639 1.00 0.63 C ATOM 765 CD2 LEU A 143 -1.747 -0.688 11.285 1.00 1.07 C ATOM 0 H LEU A 143 -2.436 -2.939 7.158 1.00 0.33 H new ATOM 0 HA LEU A 143 0.149 -2.049 8.354 1.00 0.38 H new ATOM 0 HB2 LEU A 143 -1.805 -0.491 7.875 1.00 0.52 H new ATOM 0 HB3 LEU A 143 -2.742 -1.450 9.004 1.00 0.52 H new ATOM 0 HG LEU A 143 -0.109 -0.442 9.968 1.00 0.67 H new ATOM 0 HD11 LEU A 143 -1.256 1.788 10.437 1.00 0.63 H new ATOM 0 HD12 LEU A 143 -1.196 1.466 8.688 1.00 0.63 H new ATOM 0 HD13 LEU A 143 -2.704 1.191 9.592 1.00 0.63 H new ATOM 0 HD21 LEU A 143 -1.312 -0.050 12.054 1.00 1.07 H new ATOM 0 HD22 LEU A 143 -2.830 -0.568 11.284 1.00 1.07 H new ATOM 0 HD23 LEU A 143 -1.497 -1.728 11.493 1.00 1.07 H new ATOM 777 N ASN A 144 0.027 -3.319 10.385 1.00 0.52 N ATOM 778 CA ASN A 144 0.239 -4.274 11.476 1.00 0.63 C ATOM 779 C ASN A 144 -0.138 -3.681 12.860 1.00 0.80 C ATOM 780 O ASN A 144 -0.029 -2.477 13.054 1.00 0.84 O ATOM 781 CB ASN A 144 1.704 -4.767 11.424 1.00 0.69 C ATOM 782 CG ASN A 144 2.718 -3.699 11.074 1.00 0.93 C ATOM 783 OD1 ASN A 144 2.576 -2.547 11.441 1.00 1.45 O ATOM 784 ND2 ASN A 144 3.771 -4.069 10.380 1.00 0.93 N ATOM 0 H ASN A 144 0.669 -2.527 10.411 1.00 0.52 H new ATOM 0 HA ASN A 144 -0.428 -5.126 11.341 1.00 0.63 H new ATOM 0 HB2 ASN A 144 1.965 -5.193 12.393 1.00 0.69 H new ATOM 0 HB3 ASN A 144 1.777 -5.572 10.692 1.00 0.69 H new ATOM 0 HD21 ASN A 144 4.489 -3.386 10.139 1.00 0.93 H new ATOM 0 HD22 ASN A 144 3.870 -5.040 10.082 1.00 0.93 H new ATOM 791 N PRO A 145 -0.499 -4.516 13.861 1.00 0.97 N ATOM 792 CA PRO A 145 -0.968 -4.116 15.209 1.00 1.20 C ATOM 793 C PRO A 145 0.104 -3.530 16.140 1.00 1.32 C ATOM 794 O PRO A 145 -0.149 -3.211 17.299 1.00 1.62 O ATOM 795 CB PRO A 145 -1.421 -5.426 15.854 1.00 1.33 C ATOM 796 CG PRO A 145 -0.410 -6.400 15.264 1.00 1.21 C ATOM 797 CD PRO A 145 -0.428 -5.968 13.806 1.00 1.03 C ATOM 0 HA PRO A 145 -1.719 -3.336 15.085 1.00 1.20 H new ATOM 0 HB2 PRO A 145 -1.373 -5.389 16.942 1.00 1.33 H new ATOM 0 HB3 PRO A 145 -2.446 -5.684 15.589 1.00 1.33 H new ATOM 0 HG2 PRO A 145 0.577 -6.297 15.715 1.00 1.21 H new ATOM 0 HG3 PRO A 145 -0.712 -7.439 15.392 1.00 1.21 H new ATOM 0 HD2 PRO A 145 0.467 -6.303 13.281 1.00 1.03 H new ATOM 0 HD3 PRO A 145 -1.284 -6.388 13.277 1.00 1.03 H new ATOM 805 N VAL A 146 1.333 -3.523 15.650 1.00 1.20 N ATOM 806 CA VAL A 146 2.536 -3.003 16.289 1.00 1.35 C ATOM 807 C VAL A 146 2.285 -1.649 16.977 1.00 1.79 C ATOM 808 O VAL A 146 1.584 -0.786 16.461 1.00 2.37 O ATOM 809 CB VAL A 146 3.689 -2.964 15.273 1.00 1.12 C ATOM 810 CG1 VAL A 146 3.498 -1.854 14.258 1.00 1.32 C ATOM 811 CG2 VAL A 146 5.049 -2.855 15.948 1.00 1.69 C ATOM 0 H VAL A 146 1.533 -3.909 14.727 1.00 1.20 H new ATOM 0 HA VAL A 146 2.829 -3.679 17.093 1.00 1.35 H new ATOM 0 HB VAL A 146 3.668 -3.915 14.741 1.00 1.12 H new ATOM 0 HG11 VAL A 146 4.331 -1.856 13.556 1.00 1.32 H new ATOM 0 HG12 VAL A 146 2.566 -2.013 13.716 1.00 1.32 H new ATOM 0 HG13 VAL A 146 3.459 -0.894 14.772 1.00 1.32 H new ATOM 0 HG21 VAL A 146 5.831 -2.831 15.189 1.00 1.69 H new ATOM 0 HG22 VAL A 146 5.089 -1.940 16.540 1.00 1.69 H new ATOM 0 HG23 VAL A 146 5.202 -3.716 16.599 1.00 1.69 H new ATOM 821 N GLY A 147 2.846 -1.461 18.171 1.00 1.98 N ATOM 822 CA GLY A 147 2.571 -0.319 19.016 1.00 2.29 C ATOM 823 C GLY A 147 3.438 -0.343 20.259 1.00 2.71 C ATOM 824 O GLY A 147 4.455 -1.026 20.335 1.00 2.75 O ATOM 0 H GLY A 147 3.515 -2.115 18.578 1.00 1.98 H new ATOM 0 HA2 GLY A 147 2.751 0.601 18.460 1.00 2.29 H new ATOM 0 HA3 GLY A 147 1.519 -0.318 19.302 1.00 2.29 H new