USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=19 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 -167:sc= 0.473 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -3.43 K(o=0.18,f=-2.8!) USER MOD Set 1.3: A 134 CYS SG : rot 119:sc= 1.15 USER MOD Set 1.4: A 137 CYS SG : rot -33:sc= 0.323 USER MOD Set 1.5: A 139 SER OG : rot -86:sc= 1.51 USER MOD Set 1.6: A 141 TYR OH : rot 63:sc= 0.157 USER MOD Set 2.1: A 125 LYS NZ :NH3+ -170:sc= 1.8 (180deg=0.515) USER MOD Set 2.2: A 127 THR OG1 : rot 167:sc= 2.26 USER MOD Set 3.1: A 114 SER OG : rot -118:sc= 1.22 USER MOD Set 3.2: A 118 SER OG : rot 180:sc= 1.06 USER MOD Single : A 94 MET CE :methyl -174:sc= 0 (180deg=-0.0423) USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= 1.28 (180deg=1.08) USER MOD Single : A 102 SER OG : rot -1:sc= 1.05 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 52:sc= 0.658 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 122 MET CE :methyl -159:sc= -1.05 (180deg=-2.04) USER MOD Single : A 129 ASN : amide:sc=-0.00367 X(o=-0.0037,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 172:sc= 1.79 (180deg=1.75) USER MOD Single : A 144 ASN : amide:sc= -3.27 K(o=-3.3,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -6.641 -8.380 -0.265 1.00 0.92 N ATOM 2 CA MET A 94 -7.210 -8.402 1.075 1.00 0.99 C ATOM 3 C MET A 94 -6.865 -9.688 1.819 1.00 1.18 C ATOM 4 O MET A 94 -7.509 -10.729 1.735 1.00 2.57 O ATOM 5 CB MET A 94 -8.720 -8.183 1.048 1.00 1.00 C ATOM 6 CG MET A 94 -9.102 -7.236 -0.080 1.00 0.99 C ATOM 7 SD MET A 94 -10.733 -6.449 -0.055 1.00 1.15 S ATOM 8 CE MET A 94 -11.794 -7.848 0.385 1.00 2.73 C ATOM 0 HA MET A 94 -6.759 -7.573 1.620 1.00 0.99 H new ATOM 0 HB2 MET A 94 -9.229 -9.138 0.917 1.00 1.00 H new ATOM 0 HB3 MET A 94 -9.051 -7.773 2.002 1.00 1.00 H new ATOM 0 HG2 MET A 94 -8.355 -6.443 -0.110 1.00 0.99 H new ATOM 0 HG3 MET A 94 -9.018 -7.789 -1.016 1.00 0.99 H new ATOM 0 HE1 MET A 94 -12.839 -7.542 0.334 1.00 2.73 H new ATOM 0 HE2 MET A 94 -11.622 -8.669 -0.312 1.00 2.73 H new ATOM 0 HE3 MET A 94 -11.561 -8.177 1.398 1.00 2.73 H new ATOM 18 N LYS A 95 -5.777 -9.520 2.530 1.00 0.86 N ATOM 19 CA LYS A 95 -5.134 -10.384 3.501 1.00 0.80 C ATOM 20 C LYS A 95 -4.001 -9.581 4.118 1.00 0.76 C ATOM 21 O LYS A 95 -4.195 -8.478 4.612 1.00 1.37 O ATOM 22 CB LYS A 95 -4.719 -11.731 2.866 1.00 0.83 C ATOM 23 CG LYS A 95 -3.846 -11.619 1.592 1.00 0.81 C ATOM 24 CD LYS A 95 -2.706 -12.651 1.582 1.00 0.80 C ATOM 25 CE LYS A 95 -1.518 -12.205 0.709 1.00 0.90 C ATOM 26 NZ LYS A 95 -0.205 -12.614 1.284 1.00 1.95 N ATOM 0 H LYS A 95 -5.246 -8.655 2.429 1.00 0.86 H new ATOM 0 HA LYS A 95 -5.811 -10.684 4.301 1.00 0.80 H new ATOM 0 HB2 LYS A 95 -4.175 -12.312 3.610 1.00 0.83 H new ATOM 0 HB3 LYS A 95 -5.621 -12.292 2.621 1.00 0.83 H new ATOM 0 HG2 LYS A 95 -4.471 -11.761 0.711 1.00 0.81 H new ATOM 0 HG3 LYS A 95 -3.427 -10.615 1.527 1.00 0.81 H new ATOM 0 HD2 LYS A 95 -2.361 -12.817 2.603 1.00 0.80 H new ATOM 0 HD3 LYS A 95 -3.086 -13.604 1.214 1.00 0.80 H new ATOM 0 HE2 LYS A 95 -1.623 -12.632 -0.289 1.00 0.90 H new ATOM 0 HE3 LYS A 95 -1.540 -11.121 0.596 1.00 0.90 H new ATOM 0 HZ1 LYS A 95 0.495 -12.704 0.521 1.00 1.95 H new ATOM 0 HZ2 LYS A 95 0.115 -11.896 1.964 1.00 1.95 H new ATOM 0 HZ3 LYS A 95 -0.308 -13.528 1.769 1.00 1.95 H new ATOM 40 N ASP A 96 -2.807 -10.121 4.000 1.00 0.87 N ATOM 41 CA ASP A 96 -1.582 -9.529 4.453 1.00 0.81 C ATOM 42 C ASP A 96 -0.557 -9.672 3.300 1.00 0.83 C ATOM 43 O ASP A 96 0.160 -10.672 3.207 1.00 1.03 O ATOM 44 CB ASP A 96 -1.360 -10.293 5.741 1.00 1.05 C ATOM 45 CG ASP A 96 -0.174 -9.765 6.532 1.00 1.56 C ATOM 46 OD1 ASP A 96 -0.265 -8.590 6.955 1.00 2.77 O ATOM 47 OD2 ASP A 96 0.785 -10.545 6.708 1.00 1.85 O ATOM 0 H ASP A 96 -2.665 -11.031 3.562 1.00 0.87 H new ATOM 0 HA ASP A 96 -1.533 -8.463 4.674 1.00 0.81 H new ATOM 0 HB2 ASP A 96 -2.258 -10.233 6.355 1.00 1.05 H new ATOM 0 HB3 ASP A 96 -1.200 -11.347 5.512 1.00 1.05 H new ATOM 52 N PRO A 97 -0.682 -8.792 2.280 1.00 0.71 N ATOM 53 CA PRO A 97 0.021 -8.810 0.990 1.00 0.78 C ATOM 54 C PRO A 97 1.420 -8.179 1.041 1.00 0.70 C ATOM 55 O PRO A 97 2.413 -8.893 1.103 1.00 1.21 O ATOM 56 CB PRO A 97 -0.909 -8.050 0.027 1.00 0.87 C ATOM 57 CG PRO A 97 -1.659 -7.085 0.952 1.00 0.76 C ATOM 58 CD PRO A 97 -1.869 -7.964 2.148 1.00 0.75 C ATOM 0 HA PRO A 97 0.213 -9.834 0.671 1.00 0.78 H new ATOM 0 HB2 PRO A 97 -0.346 -7.517 -0.740 1.00 0.87 H new ATOM 0 HB3 PRO A 97 -1.592 -8.725 -0.490 1.00 0.87 H new ATOM 0 HG2 PRO A 97 -1.073 -6.197 1.188 1.00 0.76 H new ATOM 0 HG3 PRO A 97 -2.599 -6.742 0.519 1.00 0.76 H new ATOM 0 HD2 PRO A 97 -2.023 -7.364 3.045 1.00 0.75 H new ATOM 0 HD3 PRO A 97 -2.758 -8.582 2.021 1.00 0.75 H new ATOM 66 N ILE A 98 1.483 -6.847 0.958 1.00 0.65 N ATOM 67 CA ILE A 98 2.647 -5.994 1.150 1.00 0.70 C ATOM 68 C ILE A 98 2.511 -5.399 2.540 1.00 0.64 C ATOM 69 O ILE A 98 1.412 -5.060 2.975 1.00 0.55 O ATOM 70 CB ILE A 98 2.740 -4.880 0.096 1.00 0.79 C ATOM 71 CG1 ILE A 98 2.351 -5.348 -1.325 1.00 0.86 C ATOM 72 CG2 ILE A 98 4.105 -4.177 0.252 1.00 0.85 C ATOM 73 CD1 ILE A 98 3.215 -4.855 -2.482 1.00 0.86 C ATOM 0 H ILE A 98 0.652 -6.299 0.737 1.00 0.65 H new ATOM 0 HA ILE A 98 3.560 -6.579 1.042 1.00 0.70 H new ATOM 0 HB ILE A 98 1.979 -4.119 0.272 1.00 0.79 H new ATOM 0 HG12 ILE A 98 2.361 -6.438 -1.336 1.00 0.86 H new ATOM 0 HG13 ILE A 98 1.324 -5.037 -1.514 1.00 0.86 H new ATOM 0 HG21 ILE A 98 4.191 -3.382 -0.488 1.00 0.85 H new ATOM 0 HG22 ILE A 98 4.183 -3.752 1.253 1.00 0.85 H new ATOM 0 HG23 ILE A 98 4.906 -4.901 0.102 1.00 0.85 H new ATOM 0 HD11 ILE A 98 2.832 -5.258 -3.420 1.00 0.86 H new ATOM 0 HD12 ILE A 98 3.189 -3.766 -2.517 1.00 0.86 H new ATOM 0 HD13 ILE A 98 4.242 -5.189 -2.337 1.00 0.86 H new ATOM 85 N ILE A 99 3.642 -5.254 3.204 1.00 0.74 N ATOM 86 CA ILE A 99 3.709 -4.842 4.609 1.00 0.74 C ATOM 87 C ILE A 99 4.262 -3.438 4.758 1.00 0.76 C ATOM 88 O ILE A 99 5.285 -3.105 4.167 1.00 0.83 O ATOM 89 CB ILE A 99 4.555 -5.830 5.436 1.00 0.80 C ATOM 90 CG1 ILE A 99 3.925 -7.234 5.434 1.00 0.86 C ATOM 91 CG2 ILE A 99 4.774 -5.347 6.884 1.00 0.80 C ATOM 92 CD1 ILE A 99 2.738 -7.403 6.391 1.00 0.87 C ATOM 0 H ILE A 99 4.557 -5.419 2.785 1.00 0.74 H new ATOM 0 HA ILE A 99 2.688 -4.847 4.990 1.00 0.74 H new ATOM 0 HB ILE A 99 5.532 -5.880 4.956 1.00 0.80 H new ATOM 0 HG12 ILE A 99 3.595 -7.468 4.422 1.00 0.86 H new ATOM 0 HG13 ILE A 99 4.692 -7.963 5.696 1.00 0.86 H new ATOM 0 HG21 ILE A 99 5.375 -6.078 7.424 1.00 0.80 H new ATOM 0 HG22 ILE A 99 5.292 -4.388 6.873 1.00 0.80 H new ATOM 0 HG23 ILE A 99 3.810 -5.233 7.379 1.00 0.80 H new ATOM 0 HD11 ILE A 99 2.358 -8.422 6.323 1.00 0.87 H new ATOM 0 HD12 ILE A 99 3.063 -7.204 7.412 1.00 0.87 H new ATOM 0 HD13 ILE A 99 1.949 -6.703 6.119 1.00 0.87 H new ATOM 104 N ILE A 100 3.598 -2.659 5.609 1.00 0.71 N ATOM 105 CA ILE A 100 3.971 -1.318 6.044 1.00 0.71 C ATOM 106 C ILE A 100 4.065 -1.313 7.564 1.00 0.76 C ATOM 107 O ILE A 100 3.053 -1.481 8.245 1.00 0.75 O ATOM 108 CB ILE A 100 2.916 -0.308 5.543 1.00 0.64 C ATOM 109 CG1 ILE A 100 2.803 -0.371 4.000 1.00 0.61 C ATOM 110 CG2 ILE A 100 3.233 1.121 6.022 1.00 0.71 C ATOM 111 CD1 ILE A 100 4.115 -0.065 3.260 1.00 0.69 C ATOM 0 H ILE A 100 2.728 -2.970 6.041 1.00 0.71 H new ATOM 0 HA ILE A 100 4.937 -1.029 5.631 1.00 0.71 H new ATOM 0 HB ILE A 100 1.952 -0.583 5.970 1.00 0.64 H new ATOM 0 HG12 ILE A 100 2.460 -1.365 3.712 1.00 0.61 H new ATOM 0 HG13 ILE A 100 2.041 0.337 3.673 1.00 0.61 H new ATOM 0 HG21 ILE A 100 2.471 1.806 5.652 1.00 0.71 H new ATOM 0 HG22 ILE A 100 3.244 1.145 7.112 1.00 0.71 H new ATOM 0 HG23 ILE A 100 4.209 1.424 5.642 1.00 0.71 H new ATOM 0 HD11 ILE A 100 3.950 -0.130 2.185 1.00 0.69 H new ATOM 0 HD12 ILE A 100 4.451 0.940 3.515 1.00 0.69 H new ATOM 0 HD13 ILE A 100 4.876 -0.788 3.555 1.00 0.69 H new ATOM 123 N GLU A 101 5.288 -1.110 8.054 1.00 0.89 N ATOM 124 CA GLU A 101 5.608 -0.848 9.460 1.00 0.90 C ATOM 125 C GLU A 101 5.084 0.522 9.887 1.00 1.02 C ATOM 126 O GLU A 101 5.240 1.524 9.188 1.00 1.23 O ATOM 127 CB GLU A 101 7.123 -0.997 9.719 1.00 1.00 C ATOM 128 CG GLU A 101 7.447 -2.335 10.406 1.00 1.15 C ATOM 129 CD GLU A 101 8.758 -2.935 9.911 1.00 1.93 C ATOM 130 OE1 GLU A 101 9.812 -2.579 10.477 1.00 2.45 O ATOM 131 OE2 GLU A 101 8.658 -3.753 8.969 1.00 3.08 O ATOM 0 H GLU A 101 6.117 -1.124 7.460 1.00 0.89 H new ATOM 0 HA GLU A 101 5.104 -1.594 10.075 1.00 0.90 H new ATOM 0 HB2 GLU A 101 7.663 -0.931 8.775 1.00 1.00 H new ATOM 0 HB3 GLU A 101 7.470 -0.173 10.343 1.00 1.00 H new ATOM 0 HG2 GLU A 101 7.503 -2.184 11.484 1.00 1.15 H new ATOM 0 HG3 GLU A 101 6.636 -3.040 10.225 1.00 1.15 H new ATOM 138 N SER A 102 4.405 0.580 11.027 1.00 0.99 N ATOM 139 CA SER A 102 3.778 1.803 11.541 1.00 1.10 C ATOM 140 C SER A 102 3.509 1.638 13.031 1.00 1.21 C ATOM 141 O SER A 102 2.861 0.678 13.419 1.00 2.51 O ATOM 142 CB SER A 102 2.461 2.069 10.795 1.00 1.41 C ATOM 143 OG SER A 102 2.707 2.411 9.438 1.00 3.33 O ATOM 0 H SER A 102 4.270 -0.230 11.632 1.00 0.99 H new ATOM 0 HA SER A 102 4.446 2.650 11.384 1.00 1.10 H new ATOM 0 HB2 SER A 102 1.827 1.184 10.842 1.00 1.41 H new ATOM 0 HB3 SER A 102 1.918 2.877 11.285 1.00 1.41 H new ATOM 0 HG SER A 102 3.673 2.416 9.272 1.00 3.33 H new ATOM 149 N TYR A 103 3.999 2.554 13.874 1.00 1.35 N ATOM 150 CA TYR A 103 3.741 2.523 15.325 1.00 1.20 C ATOM 151 C TYR A 103 2.435 3.277 15.679 1.00 1.23 C ATOM 152 O TYR A 103 2.309 3.873 16.749 1.00 1.44 O ATOM 153 CB TYR A 103 4.978 3.043 16.078 1.00 1.15 C ATOM 154 CG TYR A 103 6.295 2.299 15.870 1.00 1.25 C ATOM 155 CD1 TYR A 103 6.364 1.049 15.216 1.00 1.82 C ATOM 156 CD2 TYR A 103 7.483 2.884 16.351 1.00 2.51 C ATOM 157 CE1 TYR A 103 7.605 0.431 14.973 1.00 1.93 C ATOM 158 CE2 TYR A 103 8.725 2.251 16.154 1.00 2.75 C ATOM 159 CZ TYR A 103 8.794 1.035 15.439 1.00 1.80 C ATOM 160 OH TYR A 103 10.000 0.456 15.186 1.00 2.17 O ATOM 0 H TYR A 103 4.583 3.335 13.575 1.00 1.35 H new ATOM 0 HA TYR A 103 3.576 1.495 15.649 1.00 1.20 H new ATOM 0 HB2 TYR A 103 5.131 4.084 15.794 1.00 1.15 H new ATOM 0 HB3 TYR A 103 4.751 3.034 17.144 1.00 1.15 H new ATOM 0 HD1 TYR A 103 5.454 0.562 14.899 1.00 1.82 H new ATOM 0 HD2 TYR A 103 7.441 3.827 16.876 1.00 2.51 H new ATOM 0 HE1 TYR A 103 7.648 -0.503 14.432 1.00 1.93 H new ATOM 0 HE2 TYR A 103 9.626 2.696 16.550 1.00 2.75 H new ATOM 0 HH TYR A 103 10.714 1.003 15.576 1.00 2.17 H new ATOM 170 N ASP A 104 1.506 3.297 14.724 1.00 1.25 N ATOM 171 CA ASP A 104 0.265 4.039 14.667 1.00 1.39 C ATOM 172 C ASP A 104 -0.764 3.199 13.883 1.00 1.54 C ATOM 173 O ASP A 104 -0.660 3.045 12.664 1.00 2.63 O ATOM 174 CB ASP A 104 0.490 5.425 14.013 1.00 1.52 C ATOM 175 CG ASP A 104 1.885 5.750 13.434 1.00 2.52 C ATOM 176 OD1 ASP A 104 2.406 5.012 12.561 1.00 3.75 O ATOM 177 OD2 ASP A 104 2.418 6.839 13.756 1.00 2.92 O ATOM 0 H ASP A 104 1.626 2.730 13.885 1.00 1.25 H new ATOM 0 HA ASP A 104 -0.114 4.222 15.672 1.00 1.39 H new ATOM 0 HB2 ASP A 104 -0.236 5.533 13.208 1.00 1.52 H new ATOM 0 HB3 ASP A 104 0.255 6.185 14.758 1.00 1.52 H new ATOM 182 N ASP A 105 -1.776 2.682 14.588 1.00 0.90 N ATOM 183 CA ASP A 105 -2.771 1.690 14.150 1.00 0.74 C ATOM 184 C ASP A 105 -3.533 2.043 12.861 1.00 0.61 C ATOM 185 O ASP A 105 -4.184 1.197 12.256 1.00 0.84 O ATOM 186 CB ASP A 105 -3.812 1.546 15.276 1.00 0.85 C ATOM 187 CG ASP A 105 -3.228 1.133 16.632 1.00 2.10 C ATOM 188 OD1 ASP A 105 -2.516 1.976 17.227 1.00 3.40 O ATOM 189 OD2 ASP A 105 -3.545 0.003 17.063 1.00 2.75 O ATOM 0 H ASP A 105 -1.935 2.966 15.554 1.00 0.90 H new ATOM 0 HA ASP A 105 -2.214 0.778 13.935 1.00 0.74 H new ATOM 0 HB2 ASP A 105 -4.335 2.495 15.394 1.00 0.85 H new ATOM 0 HB3 ASP A 105 -4.555 0.808 14.975 1.00 0.85 H new ATOM 194 N TYR A 106 -3.487 3.302 12.443 1.00 0.61 N ATOM 195 CA TYR A 106 -4.329 3.915 11.415 1.00 0.83 C ATOM 196 C TYR A 106 -3.546 4.744 10.386 1.00 1.09 C ATOM 197 O TYR A 106 -4.188 5.380 9.538 1.00 2.04 O ATOM 198 CB TYR A 106 -5.442 4.736 12.108 1.00 0.93 C ATOM 199 CG TYR A 106 -5.103 5.240 13.500 1.00 0.73 C ATOM 200 CD1 TYR A 106 -4.032 6.136 13.698 1.00 1.90 C ATOM 201 CD2 TYR A 106 -5.794 4.713 14.606 1.00 2.05 C ATOM 202 CE1 TYR A 106 -3.640 6.485 15.005 1.00 2.20 C ATOM 203 CE2 TYR A 106 -5.410 5.062 15.912 1.00 1.96 C ATOM 204 CZ TYR A 106 -4.329 5.945 16.117 1.00 1.16 C ATOM 205 OH TYR A 106 -3.956 6.256 17.389 1.00 1.58 O ATOM 0 H TYR A 106 -2.820 3.966 12.836 1.00 0.61 H new ATOM 0 HA TYR A 106 -4.778 3.116 10.825 1.00 0.83 H new ATOM 0 HB2 TYR A 106 -5.685 5.592 11.478 1.00 0.93 H new ATOM 0 HB3 TYR A 106 -6.340 4.121 12.170 1.00 0.93 H new ATOM 0 HD1 TYR A 106 -3.513 6.554 12.848 1.00 1.90 H new ATOM 0 HD2 TYR A 106 -6.623 4.038 14.451 1.00 2.05 H new ATOM 0 HE1 TYR A 106 -2.814 7.164 15.158 1.00 2.20 H new ATOM 0 HE2 TYR A 106 -5.942 4.654 16.759 1.00 1.96 H new ATOM 0 HH TYR A 106 -4.543 5.795 18.024 1.00 1.58 H new ATOM 215 N ARG A 107 -2.207 4.724 10.458 1.00 0.64 N ATOM 216 CA ARG A 107 -1.278 5.500 9.625 1.00 0.75 C ATOM 217 C ARG A 107 -1.589 5.426 8.121 1.00 0.88 C ATOM 218 O ARG A 107 -2.181 4.467 7.622 1.00 1.26 O ATOM 219 CB ARG A 107 0.163 5.009 9.880 1.00 0.87 C ATOM 220 CG ARG A 107 1.211 6.111 9.655 1.00 1.60 C ATOM 221 CD ARG A 107 2.605 5.536 9.386 1.00 2.22 C ATOM 222 NE ARG A 107 3.582 6.619 9.177 1.00 3.27 N ATOM 223 CZ ARG A 107 4.202 7.292 10.141 1.00 3.34 C ATOM 224 NH1 ARG A 107 4.023 7.014 11.412 1.00 2.99 N ATOM 225 NH2 ARG A 107 5.025 8.276 9.838 1.00 4.72 N ATOM 0 H ARG A 107 -1.718 4.136 11.133 1.00 0.64 H new ATOM 0 HA ARG A 107 -1.394 6.545 9.912 1.00 0.75 H new ATOM 0 HB2 ARG A 107 0.242 4.641 10.903 1.00 0.87 H new ATOM 0 HB3 ARG A 107 0.378 4.168 9.221 1.00 0.87 H new ATOM 0 HG2 ARG A 107 0.907 6.733 8.813 1.00 1.60 H new ATOM 0 HG3 ARG A 107 1.249 6.758 10.531 1.00 1.60 H new ATOM 0 HD2 ARG A 107 2.916 4.915 10.226 1.00 2.22 H new ATOM 0 HD3 ARG A 107 2.575 4.892 8.507 1.00 2.22 H new ATOM 0 HE ARG A 107 3.800 6.873 8.214 1.00 3.27 H new ATOM 0 HH11 ARG A 107 3.392 6.261 11.685 1.00 2.99 H new ATOM 0 HH12 ARG A 107 4.515 7.551 12.126 1.00 2.99 H new ATOM 0 HH21 ARG A 107 5.187 8.523 8.862 1.00 4.72 H new ATOM 0 HH22 ARG A 107 5.499 8.791 10.580 1.00 4.72 H new ATOM 239 N TYR A 108 -1.132 6.433 7.376 1.00 0.83 N ATOM 240 CA TYR A 108 -1.002 6.336 5.922 1.00 0.70 C ATOM 241 C TYR A 108 0.362 5.752 5.493 1.00 0.60 C ATOM 242 O TYR A 108 1.343 5.843 6.231 1.00 0.75 O ATOM 243 CB TYR A 108 -1.341 7.674 5.250 1.00 0.85 C ATOM 244 CG TYR A 108 -0.185 8.637 5.172 1.00 0.91 C ATOM 245 CD1 TYR A 108 0.685 8.583 4.067 1.00 1.85 C ATOM 246 CD2 TYR A 108 0.040 9.556 6.210 1.00 2.08 C ATOM 247 CE1 TYR A 108 1.794 9.439 4.012 1.00 1.89 C ATOM 248 CE2 TYR A 108 1.135 10.434 6.141 1.00 2.26 C ATOM 249 CZ TYR A 108 2.012 10.390 5.034 1.00 1.34 C ATOM 250 OH TYR A 108 3.047 11.270 4.943 1.00 1.66 O ATOM 0 H TYR A 108 -0.843 7.333 7.760 1.00 0.83 H new ATOM 0 HA TYR A 108 -1.739 5.617 5.564 1.00 0.70 H new ATOM 0 HB2 TYR A 108 -1.705 7.479 4.241 1.00 0.85 H new ATOM 0 HB3 TYR A 108 -2.156 8.146 5.798 1.00 0.85 H new ATOM 0 HD1 TYR A 108 0.499 7.885 3.264 1.00 1.85 H new ATOM 0 HD2 TYR A 108 -0.627 9.588 7.059 1.00 2.08 H new ATOM 0 HE1 TYR A 108 2.485 9.371 3.185 1.00 1.89 H new ATOM 0 HE2 TYR A 108 1.307 11.144 6.936 1.00 2.26 H new ATOM 0 HH TYR A 108 3.050 11.854 5.730 1.00 1.66 H new ATOM 260 N VAL A 109 0.391 5.166 4.296 1.00 0.53 N ATOM 261 CA VAL A 109 1.583 4.706 3.560 1.00 0.51 C ATOM 262 C VAL A 109 1.909 5.630 2.385 1.00 0.48 C ATOM 263 O VAL A 109 0.997 6.054 1.682 1.00 0.48 O ATOM 264 CB VAL A 109 1.403 3.272 3.006 1.00 0.56 C ATOM 265 CG1 VAL A 109 0.211 3.073 2.065 1.00 0.65 C ATOM 266 CG2 VAL A 109 2.655 2.828 2.245 1.00 0.68 C ATOM 0 H VAL A 109 -0.468 4.986 3.776 1.00 0.53 H new ATOM 0 HA VAL A 109 2.401 4.718 4.280 1.00 0.51 H new ATOM 0 HB VAL A 109 1.219 2.673 3.898 1.00 0.56 H new ATOM 0 HG11 VAL A 109 0.177 2.035 1.735 1.00 0.65 H new ATOM 0 HG12 VAL A 109 -0.712 3.317 2.591 1.00 0.65 H new ATOM 0 HG13 VAL A 109 0.319 3.725 1.199 1.00 0.65 H new ATOM 0 HG21 VAL A 109 2.509 1.818 1.863 1.00 0.68 H new ATOM 0 HG22 VAL A 109 2.835 3.508 1.412 1.00 0.68 H new ATOM 0 HG23 VAL A 109 3.513 2.842 2.917 1.00 0.68 H new ATOM 276 N GLY A 110 3.204 5.849 2.134 1.00 0.52 N ATOM 277 CA GLY A 110 3.713 6.421 0.880 1.00 0.54 C ATOM 278 C GLY A 110 4.368 5.389 -0.046 1.00 0.52 C ATOM 279 O GLY A 110 5.529 5.056 0.191 1.00 0.70 O ATOM 0 H GLY A 110 3.940 5.631 2.806 1.00 0.52 H new ATOM 0 HA2 GLY A 110 2.891 6.902 0.350 1.00 0.54 H new ATOM 0 HA3 GLY A 110 4.440 7.199 1.114 1.00 0.54 H new ATOM 283 N CYS A 111 3.677 4.909 -1.095 1.00 0.44 N ATOM 284 CA CYS A 111 4.265 4.072 -2.134 1.00 0.46 C ATOM 285 C CYS A 111 4.455 4.804 -3.475 1.00 0.47 C ATOM 286 O CYS A 111 3.625 5.602 -3.933 1.00 0.51 O ATOM 287 CB CYS A 111 3.404 2.815 -2.290 1.00 0.59 C ATOM 288 SG CYS A 111 1.910 2.966 -3.352 1.00 1.28 S ATOM 0 H CYS A 111 2.685 5.098 -1.239 1.00 0.44 H new ATOM 0 HA CYS A 111 5.273 3.798 -1.822 1.00 0.46 H new ATOM 0 HB2 CYS A 111 4.031 2.021 -2.695 1.00 0.59 H new ATOM 0 HB3 CYS A 111 3.086 2.495 -1.298 1.00 0.59 H new ATOM 0 HG CYS A 111 1.148 1.927 -3.180 1.00 1.28 H new ATOM 293 N THR A 112 5.546 4.430 -4.145 1.00 0.52 N ATOM 294 CA THR A 112 5.898 4.903 -5.488 1.00 0.53 C ATOM 295 C THR A 112 5.867 3.794 -6.534 1.00 0.55 C ATOM 296 O THR A 112 6.568 3.847 -7.539 1.00 0.70 O ATOM 297 CB THR A 112 7.245 5.623 -5.462 1.00 0.63 C ATOM 298 OG1 THR A 112 8.249 4.819 -4.875 1.00 0.70 O ATOM 299 CG2 THR A 112 7.123 6.892 -4.632 1.00 0.70 C ATOM 0 H THR A 112 6.227 3.774 -3.761 1.00 0.52 H new ATOM 0 HA THR A 112 5.132 5.616 -5.792 1.00 0.53 H new ATOM 0 HB THR A 112 7.520 5.848 -6.493 1.00 0.63 H new ATOM 0 HG1 THR A 112 8.261 3.941 -5.311 1.00 0.70 H new ATOM 0 HG21 THR A 112 8.083 7.407 -4.612 1.00 0.70 H new ATOM 0 HG22 THR A 112 6.370 7.545 -5.074 1.00 0.70 H new ATOM 0 HG23 THR A 112 6.828 6.634 -3.615 1.00 0.70 H new ATOM 307 N GLY A 113 5.117 2.717 -6.295 1.00 0.56 N ATOM 308 CA GLY A 113 4.981 1.585 -7.233 1.00 0.64 C ATOM 309 C GLY A 113 6.028 0.490 -7.055 1.00 0.86 C ATOM 310 O GLY A 113 5.885 -0.623 -7.542 1.00 1.76 O ATOM 0 H GLY A 113 4.578 2.598 -5.437 1.00 0.56 H new ATOM 0 HA2 GLY A 113 3.990 1.147 -7.113 1.00 0.64 H new ATOM 0 HA3 GLY A 113 5.040 1.965 -8.253 1.00 0.64 H new ATOM 314 N SER A 114 7.090 0.838 -6.344 1.00 1.44 N ATOM 315 CA SER A 114 8.293 0.058 -6.056 1.00 1.81 C ATOM 316 C SER A 114 9.271 0.964 -5.287 1.00 1.80 C ATOM 317 O SER A 114 9.140 2.194 -5.389 1.00 1.88 O ATOM 318 CB SER A 114 8.955 -0.462 -7.351 1.00 2.58 C ATOM 319 OG SER A 114 9.449 0.608 -8.134 1.00 4.06 O ATOM 0 H SER A 114 7.140 1.760 -5.911 1.00 1.44 H new ATOM 0 HA SER A 114 8.025 -0.815 -5.461 1.00 1.81 H new ATOM 0 HB2 SER A 114 9.771 -1.140 -7.100 1.00 2.58 H new ATOM 0 HB3 SER A 114 8.230 -1.036 -7.929 1.00 2.58 H new ATOM 0 HG SER A 114 8.984 0.624 -8.997 1.00 4.06 H new ATOM 325 N PRO A 115 10.284 0.398 -4.598 1.00 2.02 N ATOM 326 CA PRO A 115 11.430 1.159 -4.094 1.00 2.21 C ATOM 327 C PRO A 115 12.241 1.837 -5.206 1.00 2.13 C ATOM 328 O PRO A 115 13.041 2.721 -4.920 1.00 2.77 O ATOM 329 CB PRO A 115 12.307 0.146 -3.348 1.00 2.63 C ATOM 330 CG PRO A 115 11.923 -1.200 -3.960 1.00 2.67 C ATOM 331 CD PRO A 115 10.444 -1.017 -4.279 1.00 2.34 C ATOM 0 HA PRO A 115 11.080 1.970 -3.454 1.00 2.21 H new ATOM 0 HB2 PRO A 115 13.367 0.359 -3.486 1.00 2.63 H new ATOM 0 HB3 PRO A 115 12.115 0.166 -2.275 1.00 2.63 H new ATOM 0 HG2 PRO A 115 12.506 -1.418 -4.855 1.00 2.67 H new ATOM 0 HG3 PRO A 115 12.088 -2.022 -3.264 1.00 2.67 H new ATOM 0 HD2 PRO A 115 10.143 -1.644 -5.118 1.00 2.34 H new ATOM 0 HD3 PRO A 115 9.822 -1.300 -3.430 1.00 2.34 H new ATOM 339 N ALA A 116 12.052 1.440 -6.470 1.00 1.73 N ATOM 340 CA ALA A 116 12.725 2.024 -7.625 1.00 1.86 C ATOM 341 C ALA A 116 11.890 3.127 -8.296 1.00 1.67 C ATOM 342 O ALA A 116 12.256 3.627 -9.361 1.00 2.22 O ATOM 343 CB ALA A 116 13.062 0.880 -8.581 1.00 2.16 C ATOM 0 H ALA A 116 11.411 0.686 -6.719 1.00 1.73 H new ATOM 0 HA ALA A 116 13.639 2.527 -7.310 1.00 1.86 H new ATOM 0 HB1 ALA A 116 13.568 1.278 -9.461 1.00 2.16 H new ATOM 0 HB2 ALA A 116 13.715 0.166 -8.079 1.00 2.16 H new ATOM 0 HB3 ALA A 116 12.144 0.379 -8.887 1.00 2.16 H new ATOM 349 N GLY A 117 10.765 3.517 -7.688 1.00 1.18 N ATOM 350 CA GLY A 117 9.876 4.576 -8.161 1.00 1.16 C ATOM 351 C GLY A 117 9.276 4.249 -9.524 1.00 1.10 C ATOM 352 O GLY A 117 9.677 4.849 -10.522 1.00 1.64 O ATOM 0 H GLY A 117 10.439 3.087 -6.822 1.00 1.18 H new ATOM 0 HA2 GLY A 117 9.074 4.726 -7.438 1.00 1.16 H new ATOM 0 HA3 GLY A 117 10.429 5.513 -8.223 1.00 1.16 H new ATOM 356 N SER A 118 8.353 3.290 -9.563 1.00 0.84 N ATOM 357 CA SER A 118 7.702 2.831 -10.793 1.00 0.91 C ATOM 358 C SER A 118 6.642 3.812 -11.284 1.00 0.87 C ATOM 359 O SER A 118 6.622 4.104 -12.473 1.00 1.02 O ATOM 360 CB SER A 118 7.100 1.428 -10.615 1.00 0.98 C ATOM 361 OG SER A 118 8.127 0.452 -10.499 1.00 1.76 O ATOM 0 H SER A 118 8.030 2.801 -8.728 1.00 0.84 H new ATOM 0 HA SER A 118 8.477 2.778 -11.557 1.00 0.91 H new ATOM 0 HB2 SER A 118 6.470 1.407 -9.726 1.00 0.98 H new ATOM 0 HB3 SER A 118 6.460 1.191 -11.465 1.00 0.98 H new ATOM 0 HG SER A 118 7.725 -0.434 -10.385 1.00 1.76 H new ATOM 367 N HIS A 119 5.812 4.374 -10.402 1.00 0.77 N ATOM 368 CA HIS A 119 4.887 5.467 -10.735 1.00 0.74 C ATOM 369 C HIS A 119 5.417 6.832 -10.285 1.00 0.79 C ATOM 370 O HIS A 119 6.635 7.058 -10.324 1.00 1.46 O ATOM 371 CB HIS A 119 3.478 5.102 -10.257 1.00 0.69 C ATOM 372 CG HIS A 119 3.273 4.818 -8.789 1.00 0.66 C ATOM 373 ND1 HIS A 119 3.066 5.721 -7.797 1.00 0.74 N ATOM 374 CD2 HIS A 119 2.877 3.599 -8.348 1.00 0.55 C ATOM 375 CE1 HIS A 119 2.495 5.101 -6.764 1.00 0.60 C ATOM 376 NE2 HIS A 119 2.432 3.787 -7.034 1.00 0.55 N ATOM 0 H HIS A 119 5.761 4.082 -9.426 1.00 0.77 H new ATOM 0 HA HIS A 119 4.815 5.585 -11.816 1.00 0.74 H new ATOM 0 HB2 HIS A 119 2.811 5.918 -10.534 1.00 0.69 H new ATOM 0 HB3 HIS A 119 3.155 4.223 -10.814 1.00 0.69 H new ATOM 0 HD2 HIS A 119 2.900 2.670 -8.899 1.00 0.55 H new ATOM 0 HE1 HIS A 119 2.142 5.576 -5.861 1.00 0.60 H new ATOM 0 HE2 HIS A 119 2.116 3.057 -6.396 1.00 0.55 H new ATOM 384 N THR A 120 4.508 7.739 -9.935 1.00 0.63 N ATOM 385 CA THR A 120 4.784 8.885 -9.081 1.00 0.65 C ATOM 386 C THR A 120 4.839 8.396 -7.637 1.00 0.60 C ATOM 387 O THR A 120 5.456 7.368 -7.380 1.00 0.71 O ATOM 388 CB THR A 120 3.832 10.011 -9.477 1.00 0.75 C ATOM 389 OG1 THR A 120 4.195 11.159 -8.762 1.00 0.79 O ATOM 390 CG2 THR A 120 2.365 9.693 -9.253 1.00 0.81 C ATOM 0 H THR A 120 3.538 7.694 -10.246 1.00 0.63 H new ATOM 0 HA THR A 120 5.761 9.351 -9.207 1.00 0.65 H new ATOM 0 HB THR A 120 3.930 10.160 -10.552 1.00 0.75 H new ATOM 0 HG1 THR A 120 3.597 11.897 -9.002 1.00 0.79 H new ATOM 0 HG21 THR A 120 1.757 10.544 -9.560 1.00 0.81 H new ATOM 0 HG22 THR A 120 2.088 8.819 -9.842 1.00 0.81 H new ATOM 0 HG23 THR A 120 2.195 9.487 -8.196 1.00 0.81 H new ATOM 398 N ILE A 121 4.193 9.094 -6.731 1.00 0.69 N ATOM 399 CA ILE A 121 3.969 8.847 -5.316 1.00 0.64 C ATOM 400 C ILE A 121 2.495 8.994 -4.960 1.00 0.66 C ATOM 401 O ILE A 121 1.791 9.870 -5.452 1.00 0.77 O ATOM 402 CB ILE A 121 4.845 9.819 -4.490 1.00 0.69 C ATOM 403 CG1 ILE A 121 4.563 9.686 -2.993 1.00 0.70 C ATOM 404 CG2 ILE A 121 4.596 11.291 -4.816 1.00 0.80 C ATOM 405 CD1 ILE A 121 5.101 8.417 -2.377 1.00 0.84 C ATOM 0 H ILE A 121 3.750 9.971 -7.005 1.00 0.69 H new ATOM 0 HA ILE A 121 4.253 7.821 -5.080 1.00 0.64 H new ATOM 0 HB ILE A 121 5.867 9.541 -4.749 1.00 0.69 H new ATOM 0 HG12 ILE A 121 4.996 10.541 -2.475 1.00 0.70 H new ATOM 0 HG13 ILE A 121 3.486 9.728 -2.832 1.00 0.70 H new ATOM 0 HG21 ILE A 121 5.244 11.915 -4.200 1.00 0.80 H new ATOM 0 HG22 ILE A 121 4.812 11.472 -5.869 1.00 0.80 H new ATOM 0 HG23 ILE A 121 3.554 11.538 -4.612 1.00 0.80 H new ATOM 0 HD11 ILE A 121 4.860 8.398 -1.314 1.00 0.84 H new ATOM 0 HD12 ILE A 121 4.649 7.555 -2.867 1.00 0.84 H new ATOM 0 HD13 ILE A 121 6.183 8.381 -2.505 1.00 0.84 H new ATOM 417 N MET A 122 2.056 8.113 -4.062 1.00 0.60 N ATOM 418 CA MET A 122 0.716 8.033 -3.511 1.00 0.68 C ATOM 419 C MET A 122 0.645 7.969 -1.993 1.00 0.55 C ATOM 420 O MET A 122 1.640 7.676 -1.345 1.00 0.64 O ATOM 421 CB MET A 122 0.163 6.748 -4.093 1.00 1.03 C ATOM 422 CG MET A 122 -0.105 7.039 -5.547 1.00 0.96 C ATOM 423 SD MET A 122 -1.337 8.316 -5.938 1.00 3.10 S ATOM 424 CE MET A 122 -2.516 8.253 -4.558 1.00 3.79 C ATOM 0 H MET A 122 2.670 7.394 -3.680 1.00 0.60 H new ATOM 0 HA MET A 122 0.162 8.937 -3.764 1.00 0.68 H new ATOM 0 HB2 MET A 122 0.875 5.930 -3.983 1.00 1.03 H new ATOM 0 HB3 MET A 122 -0.750 6.447 -3.579 1.00 1.03 H new ATOM 0 HG2 MET A 122 0.838 7.329 -6.011 1.00 0.96 H new ATOM 0 HG3 MET A 122 -0.421 6.111 -6.022 1.00 0.96 H new ATOM 0 HE1 MET A 122 -3.462 8.696 -4.867 1.00 3.79 H new ATOM 0 HE2 MET A 122 -2.680 7.216 -4.266 1.00 3.79 H new ATOM 0 HE3 MET A 122 -2.115 8.809 -3.711 1.00 3.79 H new ATOM 434 N TRP A 123 -0.561 8.162 -1.442 1.00 0.58 N ATOM 435 CA TRP A 123 -0.779 8.191 0.012 1.00 0.53 C ATOM 436 C TRP A 123 -2.031 7.381 0.397 1.00 0.53 C ATOM 437 O TRP A 123 -3.154 7.841 0.189 1.00 0.69 O ATOM 438 CB TRP A 123 -0.830 9.634 0.551 1.00 0.62 C ATOM 439 CG TRP A 123 0.068 10.656 -0.091 1.00 0.74 C ATOM 440 CD1 TRP A 123 -0.345 11.702 -0.843 1.00 1.12 C ATOM 441 CD2 TRP A 123 1.525 10.781 -0.015 1.00 0.81 C ATOM 442 NE1 TRP A 123 0.743 12.462 -1.228 1.00 1.19 N ATOM 443 CE2 TRP A 123 1.918 11.965 -0.710 1.00 0.91 C ATOM 444 CE3 TRP A 123 2.557 10.019 0.572 1.00 1.19 C ATOM 445 CZ2 TRP A 123 3.251 12.400 -0.766 1.00 1.02 C ATOM 446 CZ3 TRP A 123 3.898 10.445 0.526 1.00 1.47 C ATOM 447 CH2 TRP A 123 4.245 11.640 -0.129 1.00 1.27 C ATOM 0 H TRP A 123 -1.411 8.302 -1.989 1.00 0.58 H new ATOM 0 HA TRP A 123 0.076 7.712 0.489 1.00 0.53 H new ATOM 0 HB2 TRP A 123 -1.857 9.988 0.462 1.00 0.62 H new ATOM 0 HB3 TRP A 123 -0.594 9.602 1.615 1.00 0.62 H new ATOM 0 HD1 TRP A 123 -1.372 11.912 -1.104 1.00 1.12 H new ATOM 0 HE1 TRP A 123 0.683 13.289 -1.822 1.00 1.19 H new ATOM 0 HE3 TRP A 123 2.313 9.090 1.067 1.00 1.19 H new ATOM 0 HZ2 TRP A 123 3.509 13.307 -1.292 1.00 1.02 H new ATOM 0 HZ3 TRP A 123 4.666 9.850 0.997 1.00 1.47 H new ATOM 0 HH2 TRP A 123 5.273 11.972 -0.142 1.00 1.27 H new ATOM 458 N LEU A 124 -1.853 6.158 0.917 1.00 0.48 N ATOM 459 CA LEU A 124 -2.945 5.182 1.114 1.00 0.56 C ATOM 460 C LEU A 124 -3.136 4.882 2.611 1.00 0.65 C ATOM 461 O LEU A 124 -2.211 5.099 3.388 1.00 0.66 O ATOM 462 CB LEU A 124 -2.666 3.894 0.299 1.00 0.59 C ATOM 463 CG LEU A 124 -1.870 4.061 -1.022 1.00 0.55 C ATOM 464 CD1 LEU A 124 -1.429 2.708 -1.565 1.00 0.68 C ATOM 465 CD2 LEU A 124 -2.684 4.786 -2.097 1.00 0.60 C ATOM 0 H LEU A 124 -0.942 5.812 1.216 1.00 0.48 H new ATOM 0 HA LEU A 124 -3.877 5.611 0.746 1.00 0.56 H new ATOM 0 HB2 LEU A 124 -2.122 3.199 0.938 1.00 0.59 H new ATOM 0 HB3 LEU A 124 -3.622 3.428 0.063 1.00 0.59 H new ATOM 0 HG LEU A 124 -0.996 4.666 -0.782 1.00 0.55 H new ATOM 0 HD11 LEU A 124 -0.873 2.851 -2.491 1.00 0.68 H new ATOM 0 HD12 LEU A 124 -0.792 2.212 -0.833 1.00 0.68 H new ATOM 0 HD13 LEU A 124 -2.306 2.091 -1.760 1.00 0.68 H new ATOM 0 HD21 LEU A 124 -2.087 4.880 -3.004 1.00 0.60 H new ATOM 0 HD22 LEU A 124 -3.588 4.217 -2.315 1.00 0.60 H new ATOM 0 HD23 LEU A 124 -2.958 5.778 -1.738 1.00 0.60 H new ATOM 477 N LYS A 125 -4.290 4.359 3.048 1.00 0.76 N ATOM 478 CA LYS A 125 -4.636 4.224 4.489 1.00 0.77 C ATOM 479 C LYS A 125 -4.897 2.764 4.968 1.00 0.61 C ATOM 480 O LYS A 125 -6.049 2.382 5.160 1.00 0.81 O ATOM 481 CB LYS A 125 -5.815 5.178 4.780 1.00 1.17 C ATOM 482 CG LYS A 125 -6.107 5.356 6.284 1.00 2.09 C ATOM 483 CD LYS A 125 -7.527 4.895 6.663 1.00 3.15 C ATOM 484 CE LYS A 125 -7.884 5.192 8.125 1.00 4.38 C ATOM 485 NZ LYS A 125 -6.989 4.497 9.077 1.00 5.24 N ATOM 0 H LYS A 125 -5.017 4.015 2.421 1.00 0.76 H new ATOM 0 HA LYS A 125 -3.765 4.509 5.079 1.00 0.77 H new ATOM 0 HB2 LYS A 125 -5.600 6.153 4.342 1.00 1.17 H new ATOM 0 HB3 LYS A 125 -6.710 4.798 4.287 1.00 1.17 H new ATOM 0 HG2 LYS A 125 -5.377 4.790 6.863 1.00 2.09 H new ATOM 0 HG3 LYS A 125 -5.984 6.405 6.554 1.00 2.09 H new ATOM 0 HD2 LYS A 125 -8.249 5.387 6.011 1.00 3.15 H new ATOM 0 HD3 LYS A 125 -7.615 3.823 6.484 1.00 3.15 H new ATOM 0 HE2 LYS A 125 -7.830 6.267 8.298 1.00 4.38 H new ATOM 0 HE3 LYS A 125 -8.914 4.890 8.313 1.00 4.38 H new ATOM 0 HZ1 LYS A 125 -7.368 4.589 10.041 1.00 5.24 H new ATOM 0 HZ2 LYS A 125 -6.928 3.490 8.824 1.00 5.24 H new ATOM 0 HZ3 LYS A 125 -6.041 4.922 9.036 1.00 5.24 H new ATOM 499 N PRO A 126 -3.855 1.932 5.169 1.00 0.52 N ATOM 500 CA PRO A 126 -3.971 0.474 5.319 1.00 0.89 C ATOM 501 C PRO A 126 -4.116 -0.053 6.765 1.00 1.38 C ATOM 502 O PRO A 126 -3.458 -1.033 7.078 1.00 3.07 O ATOM 503 CB PRO A 126 -2.694 -0.039 4.635 1.00 1.12 C ATOM 504 CG PRO A 126 -1.685 0.985 5.141 1.00 0.80 C ATOM 505 CD PRO A 126 -2.461 2.272 4.915 1.00 0.55 C ATOM 0 HA PRO A 126 -4.900 0.113 4.877 1.00 0.89 H new ATOM 0 HB2 PRO A 126 -2.441 -1.056 4.936 1.00 1.12 H new ATOM 0 HB3 PRO A 126 -2.776 -0.040 3.548 1.00 1.12 H new ATOM 0 HG2 PRO A 126 -1.430 0.833 6.190 1.00 0.80 H new ATOM 0 HG3 PRO A 126 -0.751 0.960 4.579 1.00 0.80 H new ATOM 0 HD2 PRO A 126 -2.120 3.060 5.587 1.00 0.55 H new ATOM 0 HD3 PRO A 126 -2.325 2.639 3.898 1.00 0.55 H new ATOM 513 N THR A 127 -4.944 0.578 7.617 1.00 0.63 N ATOM 514 CA THR A 127 -5.128 0.408 9.094 1.00 0.61 C ATOM 515 C THR A 127 -4.816 -0.995 9.627 1.00 0.54 C ATOM 516 O THR A 127 -5.118 -1.978 8.976 1.00 0.46 O ATOM 517 CB THR A 127 -6.601 0.667 9.464 1.00 0.66 C ATOM 518 OG1 THR A 127 -7.151 1.712 8.693 1.00 0.87 O ATOM 519 CG2 THR A 127 -6.941 0.979 10.918 1.00 0.74 C ATOM 0 H THR A 127 -5.573 1.299 7.263 1.00 0.63 H new ATOM 0 HA THR A 127 -4.426 1.114 9.538 1.00 0.61 H new ATOM 0 HB THR A 127 -7.033 -0.312 9.255 1.00 0.66 H new ATOM 0 HG1 THR A 127 -8.126 1.716 8.796 1.00 0.87 H new ATOM 0 HG21 THR A 127 -8.015 1.136 11.015 1.00 0.74 H new ATOM 0 HG22 THR A 127 -6.638 0.144 11.550 1.00 0.74 H new ATOM 0 HG23 THR A 127 -6.413 1.880 11.230 1.00 0.74 H new ATOM 527 N VAL A 128 -4.382 -1.128 10.878 1.00 0.64 N ATOM 528 CA VAL A 128 -4.139 -2.430 11.530 1.00 0.57 C ATOM 529 C VAL A 128 -5.341 -3.408 11.445 1.00 0.51 C ATOM 530 O VAL A 128 -5.149 -4.616 11.312 1.00 0.57 O ATOM 531 CB VAL A 128 -3.695 -2.254 12.999 1.00 0.74 C ATOM 532 CG1 VAL A 128 -4.882 -1.790 13.850 1.00 0.76 C ATOM 533 CG2 VAL A 128 -3.037 -3.535 13.558 1.00 0.90 C ATOM 0 H VAL A 128 -4.184 -0.330 11.482 1.00 0.64 H new ATOM 0 HA VAL A 128 -3.327 -2.886 10.964 1.00 0.57 H new ATOM 0 HB VAL A 128 -2.927 -1.481 13.040 1.00 0.74 H new ATOM 0 HG11 VAL A 128 -4.562 -1.668 14.885 1.00 0.76 H new ATOM 0 HG12 VAL A 128 -5.252 -0.838 13.470 1.00 0.76 H new ATOM 0 HG13 VAL A 128 -5.677 -2.534 13.802 1.00 0.76 H new ATOM 0 HG21 VAL A 128 -2.739 -3.369 14.593 1.00 0.90 H new ATOM 0 HG22 VAL A 128 -3.749 -4.359 13.513 1.00 0.90 H new ATOM 0 HG23 VAL A 128 -2.158 -3.782 12.963 1.00 0.90 H new ATOM 543 N ASN A 129 -6.582 -2.896 11.468 1.00 0.62 N ATOM 544 CA ASN A 129 -7.829 -3.666 11.297 1.00 0.80 C ATOM 545 C ASN A 129 -8.160 -4.008 9.833 1.00 0.76 C ATOM 546 O ASN A 129 -9.125 -4.723 9.576 1.00 0.99 O ATOM 547 CB ASN A 129 -8.988 -2.891 11.953 1.00 1.08 C ATOM 548 CG ASN A 129 -8.995 -3.032 13.472 1.00 1.21 C ATOM 549 OD1 ASN A 129 -9.594 -3.944 14.021 1.00 1.44 O ATOM 550 ND2 ASN A 129 -8.323 -2.156 14.197 1.00 1.45 N ATOM 0 H ASN A 129 -6.753 -1.901 11.611 1.00 0.62 H new ATOM 0 HA ASN A 129 -7.683 -4.628 11.788 1.00 0.80 H new ATOM 0 HB2 ASN A 129 -8.912 -1.836 11.689 1.00 1.08 H new ATOM 0 HB3 ASN A 129 -9.935 -3.252 11.553 1.00 1.08 H new ATOM 0 HD21 ASN A 129 -8.305 -2.242 15.213 1.00 1.45 H new ATOM 0 HD22 ASN A 129 -7.822 -1.394 13.741 1.00 1.45 H new ATOM 557 N GLU A 130 -7.411 -3.456 8.879 1.00 0.55 N ATOM 558 CA GLU A 130 -7.823 -3.281 7.496 1.00 0.50 C ATOM 559 C GLU A 130 -6.670 -3.543 6.529 1.00 0.37 C ATOM 560 O GLU A 130 -5.634 -4.094 6.882 1.00 0.55 O ATOM 561 CB GLU A 130 -8.342 -1.841 7.303 1.00 0.69 C ATOM 562 CG GLU A 130 -9.398 -1.498 8.340 1.00 0.74 C ATOM 563 CD GLU A 130 -10.047 -0.153 8.007 1.00 1.25 C ATOM 564 OE1 GLU A 130 -9.505 0.879 8.481 1.00 2.12 O ATOM 565 OE2 GLU A 130 -11.023 -0.150 7.238 1.00 1.86 O ATOM 0 H GLU A 130 -6.469 -3.108 9.059 1.00 0.55 H new ATOM 0 HA GLU A 130 -8.611 -4.002 7.279 1.00 0.50 H new ATOM 0 HB2 GLU A 130 -7.512 -1.139 7.378 1.00 0.69 H new ATOM 0 HB3 GLU A 130 -8.761 -1.733 6.303 1.00 0.69 H new ATOM 0 HG2 GLU A 130 -10.157 -2.279 8.369 1.00 0.74 H new ATOM 0 HG3 GLU A 130 -8.946 -1.457 9.331 1.00 0.74 H new ATOM 572 N VAL A 131 -6.899 -3.129 5.294 1.00 0.35 N ATOM 573 CA VAL A 131 -6.065 -3.156 4.109 1.00 0.37 C ATOM 574 C VAL A 131 -6.423 -1.922 3.271 1.00 0.44 C ATOM 575 O VAL A 131 -7.536 -1.407 3.403 1.00 0.55 O ATOM 576 CB VAL A 131 -6.324 -4.432 3.299 1.00 0.39 C ATOM 577 CG1 VAL A 131 -5.857 -5.651 4.053 1.00 0.39 C ATOM 578 CG2 VAL A 131 -7.780 -4.621 2.853 1.00 0.43 C ATOM 0 H VAL A 131 -7.801 -2.708 5.073 1.00 0.35 H new ATOM 0 HA VAL A 131 -5.011 -3.146 4.386 1.00 0.37 H new ATOM 0 HB VAL A 131 -5.742 -4.309 2.386 1.00 0.39 H new ATOM 0 HG11 VAL A 131 -6.051 -6.543 3.458 1.00 0.39 H new ATOM 0 HG12 VAL A 131 -4.788 -5.571 4.248 1.00 0.39 H new ATOM 0 HG13 VAL A 131 -6.394 -5.722 4.999 1.00 0.39 H new ATOM 0 HG21 VAL A 131 -7.870 -5.548 2.287 1.00 0.43 H new ATOM 0 HG22 VAL A 131 -8.426 -4.667 3.730 1.00 0.43 H new ATOM 0 HG23 VAL A 131 -8.080 -3.782 2.225 1.00 0.43 H new ATOM 588 N ALA A 132 -5.538 -1.467 2.381 1.00 0.41 N ATOM 589 CA ALA A 132 -5.881 -0.458 1.371 1.00 0.54 C ATOM 590 C ALA A 132 -5.190 -0.760 0.038 1.00 0.50 C ATOM 591 O ALA A 132 -4.024 -1.146 0.036 1.00 0.44 O ATOM 592 CB ALA A 132 -5.523 0.938 1.898 1.00 0.70 C ATOM 0 H ALA A 132 -4.569 -1.784 2.338 1.00 0.41 H new ATOM 0 HA ALA A 132 -6.954 -0.488 1.183 1.00 0.54 H new ATOM 0 HB1 ALA A 132 -5.778 1.687 1.148 1.00 0.70 H new ATOM 0 HB2 ALA A 132 -6.082 1.136 2.813 1.00 0.70 H new ATOM 0 HB3 ALA A 132 -4.455 0.984 2.109 1.00 0.70 H new ATOM 598 N ARG A 133 -5.889 -0.561 -1.090 1.00 0.61 N ATOM 599 CA ARG A 133 -5.297 -0.648 -2.433 1.00 0.52 C ATOM 600 C ARG A 133 -4.815 0.730 -2.875 1.00 0.47 C ATOM 601 O ARG A 133 -5.513 1.722 -2.663 1.00 0.52 O ATOM 602 CB ARG A 133 -6.274 -1.202 -3.496 1.00 0.57 C ATOM 603 CG ARG A 133 -5.508 -1.892 -4.653 1.00 0.61 C ATOM 604 CD ARG A 133 -6.203 -1.990 -6.017 1.00 0.98 C ATOM 605 NE ARG A 133 -7.644 -2.272 -5.930 1.00 1.59 N ATOM 606 CZ ARG A 133 -8.555 -1.865 -6.807 1.00 2.50 C ATOM 607 NH1 ARG A 133 -8.242 -1.133 -7.858 1.00 3.20 N ATOM 608 NH2 ARG A 133 -9.814 -2.206 -6.642 1.00 3.65 N ATOM 0 H ARG A 133 -6.884 -0.335 -1.096 1.00 0.61 H new ATOM 0 HA ARG A 133 -4.465 -1.348 -2.359 1.00 0.52 H new ATOM 0 HB2 ARG A 133 -6.956 -1.914 -3.031 1.00 0.57 H new ATOM 0 HB3 ARG A 133 -6.883 -0.390 -3.893 1.00 0.57 H new ATOM 0 HG2 ARG A 133 -4.567 -1.360 -4.795 1.00 0.61 H new ATOM 0 HG3 ARG A 133 -5.258 -2.903 -4.332 1.00 0.61 H new ATOM 0 HD2 ARG A 133 -6.057 -1.054 -6.557 1.00 0.98 H new ATOM 0 HD3 ARG A 133 -5.724 -2.774 -6.603 1.00 0.98 H new ATOM 0 HE ARG A 133 -7.969 -2.822 -5.135 1.00 1.59 H new ATOM 0 HH11 ARG A 133 -7.272 -0.860 -8.019 1.00 3.20 H new ATOM 0 HH12 ARG A 133 -8.969 -0.839 -8.510 1.00 3.20 H new ATOM 0 HH21 ARG A 133 -10.087 -2.780 -5.844 1.00 3.65 H new ATOM 0 HH22 ARG A 133 -10.518 -1.897 -7.312 1.00 3.65 H new ATOM 622 N CYS A 134 -3.678 0.748 -3.558 1.00 0.46 N ATOM 623 CA CYS A 134 -3.296 1.793 -4.483 1.00 0.49 C ATOM 624 C CYS A 134 -4.279 1.885 -5.663 1.00 0.68 C ATOM 625 O CYS A 134 -5.016 0.946 -5.979 1.00 1.12 O ATOM 626 CB CYS A 134 -1.885 1.404 -4.915 1.00 0.48 C ATOM 627 SG CYS A 134 -0.935 2.599 -5.906 1.00 0.56 S ATOM 0 H CYS A 134 -2.978 0.010 -3.477 1.00 0.46 H new ATOM 0 HA CYS A 134 -3.320 2.788 -4.038 1.00 0.49 H new ATOM 0 HB2 CYS A 134 -1.309 1.183 -4.016 1.00 0.48 H new ATOM 0 HB3 CYS A 134 -1.954 0.477 -5.485 1.00 0.48 H new ATOM 0 HG CYS A 134 0.146 2.933 -5.265 1.00 0.56 H new ATOM 632 N TRP A 135 -4.235 3.011 -6.365 1.00 0.71 N ATOM 633 CA TRP A 135 -4.828 3.137 -7.694 1.00 0.91 C ATOM 634 C TRP A 135 -3.767 3.113 -8.805 1.00 0.95 C ATOM 635 O TRP A 135 -4.113 2.832 -9.949 1.00 1.25 O ATOM 636 CB TRP A 135 -5.670 4.414 -7.737 1.00 1.04 C ATOM 637 CG TRP A 135 -4.909 5.695 -7.867 1.00 1.11 C ATOM 638 CD1 TRP A 135 -4.328 6.394 -6.862 1.00 1.10 C ATOM 639 CD2 TRP A 135 -4.489 6.361 -9.105 1.00 1.30 C ATOM 640 NE1 TRP A 135 -3.778 7.539 -7.393 1.00 1.28 N ATOM 641 CE2 TRP A 135 -3.770 7.538 -8.761 1.00 1.38 C ATOM 642 CE3 TRP A 135 -4.526 6.028 -10.477 1.00 1.47 C ATOM 643 CZ2 TRP A 135 -3.130 8.354 -9.703 1.00 1.58 C ATOM 644 CZ3 TRP A 135 -3.831 6.798 -11.430 1.00 1.65 C ATOM 645 CH2 TRP A 135 -3.138 7.964 -11.049 1.00 1.70 C ATOM 0 H TRP A 135 -3.787 3.864 -6.030 1.00 0.71 H new ATOM 0 HA TRP A 135 -5.470 2.276 -7.880 1.00 0.91 H new ATOM 0 HB2 TRP A 135 -6.364 4.340 -8.574 1.00 1.04 H new ATOM 0 HB3 TRP A 135 -6.270 4.461 -6.828 1.00 1.04 H new ATOM 0 HD1 TRP A 135 -4.301 6.103 -5.822 1.00 1.10 H new ATOM 0 HE1 TRP A 135 -3.415 8.306 -6.827 1.00 1.28 H new ATOM 0 HE3 TRP A 135 -5.096 5.170 -10.801 1.00 1.47 H new ATOM 0 HZ2 TRP A 135 -2.640 9.267 -9.398 1.00 1.58 H new ATOM 0 HZ3 TRP A 135 -3.829 6.491 -12.465 1.00 1.65 H new ATOM 0 HH2 TRP A 135 -2.617 8.553 -11.789 1.00 1.70 H new ATOM 656 N GLU A 136 -2.505 3.398 -8.467 1.00 0.73 N ATOM 657 CA GLU A 136 -1.416 3.531 -9.430 1.00 0.76 C ATOM 658 C GLU A 136 -0.886 2.144 -9.807 1.00 0.80 C ATOM 659 O GLU A 136 -1.400 1.525 -10.732 1.00 1.03 O ATOM 660 CB GLU A 136 -0.319 4.454 -8.905 1.00 0.70 C ATOM 661 CG GLU A 136 -0.790 5.899 -8.848 1.00 0.76 C ATOM 662 CD GLU A 136 0.321 6.808 -9.304 1.00 1.19 C ATOM 663 OE1 GLU A 136 0.555 6.913 -10.525 1.00 1.41 O ATOM 664 OE2 GLU A 136 1.052 7.272 -8.414 1.00 2.28 O ATOM 0 H GLU A 136 -2.211 3.544 -7.501 1.00 0.73 H new ATOM 0 HA GLU A 136 -1.797 4.000 -10.337 1.00 0.76 H new ATOM 0 HB2 GLU A 136 -0.014 4.130 -7.910 1.00 0.70 H new ATOM 0 HB3 GLU A 136 0.559 4.381 -9.547 1.00 0.70 H new ATOM 0 HG2 GLU A 136 -1.667 6.032 -9.482 1.00 0.76 H new ATOM 0 HG3 GLU A 136 -1.090 6.155 -7.832 1.00 0.76 H new ATOM 671 N CYS A 137 0.087 1.615 -9.050 1.00 0.70 N ATOM 672 CA CYS A 137 0.545 0.248 -9.206 1.00 0.75 C ATOM 673 C CYS A 137 -0.561 -0.776 -8.854 1.00 0.80 C ATOM 674 O CYS A 137 -0.491 -1.916 -9.300 1.00 1.16 O ATOM 675 CB CYS A 137 1.813 0.081 -8.355 1.00 0.71 C ATOM 676 SG CYS A 137 1.577 0.252 -6.546 1.00 0.71 S ATOM 0 H CYS A 137 0.571 2.132 -8.316 1.00 0.70 H new ATOM 0 HA CYS A 137 0.786 0.046 -10.250 1.00 0.75 H new ATOM 0 HB2 CYS A 137 2.238 -0.902 -8.557 1.00 0.71 H new ATOM 0 HB3 CYS A 137 2.547 0.819 -8.679 1.00 0.71 H new ATOM 0 HG CYS A 137 0.644 1.126 -6.311 1.00 0.71 H new ATOM 681 N GLY A 138 -1.548 -0.402 -8.032 1.00 0.53 N ATOM 682 CA GLY A 138 -2.663 -1.278 -7.667 1.00 0.55 C ATOM 683 C GLY A 138 -2.253 -2.449 -6.776 1.00 0.61 C ATOM 684 O GLY A 138 -2.983 -3.441 -6.703 1.00 0.72 O ATOM 0 H GLY A 138 -1.594 0.521 -7.600 1.00 0.53 H new ATOM 0 HA2 GLY A 138 -3.423 -0.690 -7.153 1.00 0.55 H new ATOM 0 HA3 GLY A 138 -3.121 -1.667 -8.576 1.00 0.55 H new ATOM 688 N SER A 139 -1.122 -2.354 -6.068 1.00 0.58 N ATOM 689 CA SER A 139 -0.918 -3.274 -4.945 1.00 0.60 C ATOM 690 C SER A 139 -1.939 -2.994 -3.834 1.00 0.56 C ATOM 691 O SER A 139 -2.433 -1.876 -3.704 1.00 0.76 O ATOM 692 CB SER A 139 0.534 -3.346 -4.448 1.00 0.74 C ATOM 693 OG SER A 139 0.682 -2.949 -3.113 1.00 1.77 O ATOM 0 H SER A 139 -0.370 -1.687 -6.239 1.00 0.58 H new ATOM 0 HA SER A 139 -1.104 -4.282 -5.317 1.00 0.60 H new ATOM 0 HB2 SER A 139 0.899 -4.367 -4.559 1.00 0.74 H new ATOM 0 HB3 SER A 139 1.159 -2.714 -5.079 1.00 0.74 H new ATOM 0 HG SER A 139 0.783 -1.975 -3.071 1.00 1.77 H new ATOM 699 N VAL A 140 -2.224 -4.014 -3.028 1.00 0.52 N ATOM 700 CA VAL A 140 -2.898 -3.844 -1.742 1.00 0.43 C ATOM 701 C VAL A 140 -1.805 -3.907 -0.693 1.00 0.43 C ATOM 702 O VAL A 140 -0.939 -4.775 -0.758 1.00 0.64 O ATOM 703 CB VAL A 140 -3.970 -4.917 -1.455 1.00 0.45 C ATOM 704 CG1 VAL A 140 -4.656 -4.735 -0.092 1.00 0.44 C ATOM 705 CG2 VAL A 140 -5.074 -4.940 -2.522 1.00 0.53 C ATOM 0 H VAL A 140 -1.994 -4.983 -3.248 1.00 0.52 H new ATOM 0 HA VAL A 140 -3.439 -2.898 -1.740 1.00 0.43 H new ATOM 0 HB VAL A 140 -3.416 -5.856 -1.462 1.00 0.45 H new ATOM 0 HG11 VAL A 140 -5.398 -5.520 0.049 1.00 0.44 H new ATOM 0 HG12 VAL A 140 -3.911 -4.793 0.701 1.00 0.44 H new ATOM 0 HG13 VAL A 140 -5.146 -3.762 -0.058 1.00 0.44 H new ATOM 0 HG21 VAL A 140 -5.803 -5.711 -2.274 1.00 0.53 H new ATOM 0 HG22 VAL A 140 -5.569 -3.970 -2.554 1.00 0.53 H new ATOM 0 HG23 VAL A 140 -4.634 -5.155 -3.496 1.00 0.53 H new ATOM 715 N TYR A 141 -1.878 -2.995 0.258 1.00 0.30 N ATOM 716 CA TYR A 141 -0.933 -2.792 1.341 1.00 0.29 C ATOM 717 C TYR A 141 -1.635 -3.053 2.653 1.00 0.29 C ATOM 718 O TYR A 141 -2.826 -2.754 2.799 1.00 0.34 O ATOM 719 CB TYR A 141 -0.446 -1.343 1.337 1.00 0.30 C ATOM 720 CG TYR A 141 0.406 -1.026 0.141 1.00 0.36 C ATOM 721 CD1 TYR A 141 -0.184 -0.563 -1.050 1.00 1.70 C ATOM 722 CD2 TYR A 141 1.786 -1.284 0.203 1.00 1.57 C ATOM 723 CE1 TYR A 141 0.623 -0.309 -2.170 1.00 1.77 C ATOM 724 CE2 TYR A 141 2.594 -1.040 -0.918 1.00 1.55 C ATOM 725 CZ TYR A 141 2.013 -0.543 -2.108 1.00 0.55 C ATOM 726 OH TYR A 141 2.759 -0.419 -3.237 1.00 0.70 O ATOM 0 H TYR A 141 -2.651 -2.331 0.297 1.00 0.30 H new ATOM 0 HA TYR A 141 -0.086 -3.467 1.214 1.00 0.29 H new ATOM 0 HB2 TYR A 141 -1.306 -0.674 1.354 1.00 0.30 H new ATOM 0 HB3 TYR A 141 0.124 -1.152 2.246 1.00 0.30 H new ATOM 0 HD1 TYR A 141 -1.251 -0.404 -1.102 1.00 1.70 H new ATOM 0 HD2 TYR A 141 2.224 -1.669 1.112 1.00 1.57 H new ATOM 0 HE1 TYR A 141 0.179 0.066 -3.080 1.00 1.77 H new ATOM 0 HE2 TYR A 141 3.656 -1.231 -0.872 1.00 1.55 H new ATOM 0 HH TYR A 141 2.722 0.508 -3.553 1.00 0.70 H new ATOM 736 N LYS A 142 -0.883 -3.575 3.616 1.00 0.33 N ATOM 737 CA LYS A 142 -1.403 -3.832 4.939 1.00 0.28 C ATOM 738 C LYS A 142 -0.485 -3.362 6.054 1.00 0.43 C ATOM 739 O LYS A 142 0.742 -3.303 5.920 1.00 0.56 O ATOM 740 CB LYS A 142 -1.726 -5.321 5.076 1.00 0.41 C ATOM 741 CG LYS A 142 -2.879 -5.489 6.063 1.00 0.39 C ATOM 742 CD LYS A 142 -2.514 -6.173 7.364 1.00 0.92 C ATOM 743 CE LYS A 142 -3.659 -5.730 8.267 1.00 1.26 C ATOM 744 NZ LYS A 142 -3.443 -6.149 9.660 1.00 2.51 N ATOM 0 H LYS A 142 0.098 -3.828 3.495 1.00 0.33 H new ATOM 0 HA LYS A 142 -2.314 -3.244 5.050 1.00 0.28 H new ATOM 0 HB2 LYS A 142 -1.996 -5.739 4.106 1.00 0.41 H new ATOM 0 HB3 LYS A 142 -0.849 -5.866 5.425 1.00 0.41 H new ATOM 0 HG2 LYS A 142 -3.289 -4.505 6.290 1.00 0.39 H new ATOM 0 HG3 LYS A 142 -3.671 -6.061 5.579 1.00 0.39 H new ATOM 0 HD2 LYS A 142 -2.469 -7.257 7.260 1.00 0.92 H new ATOM 0 HD3 LYS A 142 -1.544 -5.848 7.741 1.00 0.92 H new ATOM 0 HE2 LYS A 142 -3.758 -4.645 8.224 1.00 1.26 H new ATOM 0 HE3 LYS A 142 -4.596 -6.151 7.901 1.00 1.26 H new ATOM 0 HZ1 LYS A 142 -4.168 -5.718 10.269 1.00 2.51 H new ATOM 0 HZ2 LYS A 142 -3.508 -7.185 9.725 1.00 2.51 H new ATOM 0 HZ3 LYS A 142 -2.500 -5.841 9.973 1.00 2.51 H new ATOM 758 N LEU A 143 -1.134 -3.030 7.165 1.00 0.45 N ATOM 759 CA LEU A 143 -0.459 -2.505 8.343 1.00 0.45 C ATOM 760 C LEU A 143 -0.403 -3.522 9.458 1.00 0.40 C ATOM 761 O LEU A 143 -1.324 -4.307 9.694 1.00 0.54 O ATOM 762 CB LEU A 143 -1.148 -1.220 8.771 1.00 0.57 C ATOM 763 CG LEU A 143 -0.456 -0.371 9.845 1.00 0.63 C ATOM 764 CD1 LEU A 143 -0.869 1.056 9.522 1.00 0.60 C ATOM 765 CD2 LEU A 143 -0.935 -0.672 11.270 1.00 0.86 C ATOM 0 H LEU A 143 -2.144 -3.118 7.273 1.00 0.45 H new ATOM 0 HA LEU A 143 0.579 -2.283 8.095 1.00 0.45 H new ATOM 0 HB2 LEU A 143 -1.282 -0.599 7.885 1.00 0.57 H new ATOM 0 HB3 LEU A 143 -2.143 -1.476 9.134 1.00 0.57 H new ATOM 0 HG LEU A 143 0.616 -0.567 9.828 1.00 0.63 H new ATOM 0 HD11 LEU A 143 -0.418 1.737 10.243 1.00 0.60 H new ATOM 0 HD12 LEU A 143 -0.531 1.314 8.518 1.00 0.60 H new ATOM 0 HD13 LEU A 143 -1.955 1.141 9.572 1.00 0.60 H new ATOM 0 HD21 LEU A 143 -0.402 -0.034 11.975 1.00 0.86 H new ATOM 0 HD22 LEU A 143 -2.005 -0.478 11.343 1.00 0.86 H new ATOM 0 HD23 LEU A 143 -0.739 -1.718 11.507 1.00 0.86 H new ATOM 777 N ASN A 144 0.722 -3.486 10.139 1.00 0.53 N ATOM 778 CA ASN A 144 1.054 -4.466 11.174 1.00 0.59 C ATOM 779 C ASN A 144 0.805 -3.892 12.592 1.00 0.68 C ATOM 780 O ASN A 144 0.848 -2.684 12.777 1.00 0.74 O ATOM 781 CB ASN A 144 2.466 -5.049 10.932 1.00 0.62 C ATOM 782 CG ASN A 144 3.515 -4.051 10.502 1.00 0.89 C ATOM 783 OD1 ASN A 144 3.435 -2.888 10.832 1.00 1.38 O ATOM 784 ND2 ASN A 144 4.520 -4.500 9.779 1.00 0.98 N ATOM 0 H ASN A 144 1.441 -2.777 9.997 1.00 0.53 H new ATOM 0 HA ASN A 144 0.378 -5.319 11.108 1.00 0.59 H new ATOM 0 HB2 ASN A 144 2.803 -5.532 11.849 1.00 0.62 H new ATOM 0 HB3 ASN A 144 2.394 -5.826 10.171 1.00 0.62 H new ATOM 0 HD21 ASN A 144 5.259 -3.863 9.481 1.00 0.98 H new ATOM 0 HD22 ASN A 144 4.560 -5.485 9.517 1.00 0.98 H new ATOM 791 N PRO A 145 0.539 -4.729 13.618 1.00 0.78 N ATOM 792 CA PRO A 145 0.170 -4.318 14.991 1.00 0.92 C ATOM 793 C PRO A 145 1.310 -3.720 15.825 1.00 0.93 C ATOM 794 O PRO A 145 1.125 -3.359 16.981 1.00 1.22 O ATOM 795 CB PRO A 145 -0.245 -5.617 15.678 1.00 1.11 C ATOM 796 CG PRO A 145 0.711 -6.598 15.017 1.00 1.08 C ATOM 797 CD PRO A 145 0.603 -6.176 13.563 1.00 0.92 C ATOM 0 HA PRO A 145 -0.590 -3.539 14.922 1.00 0.92 H new ATOM 0 HB2 PRO A 145 -0.113 -5.575 16.759 1.00 1.11 H new ATOM 0 HB3 PRO A 145 -1.290 -5.868 15.494 1.00 1.11 H new ATOM 0 HG2 PRO A 145 1.727 -6.504 15.399 1.00 1.08 H new ATOM 0 HG3 PRO A 145 0.408 -7.634 15.169 1.00 1.08 H new ATOM 0 HD2 PRO A 145 1.462 -6.515 12.985 1.00 0.92 H new ATOM 0 HD3 PRO A 145 -0.285 -6.597 13.091 1.00 0.92 H new ATOM 805 N VAL A 146 2.502 -3.729 15.246 1.00 0.83 N ATOM 806 CA VAL A 146 3.757 -3.197 15.758 1.00 0.92 C ATOM 807 C VAL A 146 3.592 -1.813 16.415 1.00 1.47 C ATOM 808 O VAL A 146 2.758 -1.010 16.009 1.00 2.21 O ATOM 809 CB VAL A 146 4.812 -3.182 14.634 1.00 0.94 C ATOM 810 CG1 VAL A 146 4.479 -2.172 13.557 1.00 0.98 C ATOM 811 CG2 VAL A 146 6.226 -2.957 15.161 1.00 1.88 C ATOM 0 H VAL A 146 2.626 -4.146 14.324 1.00 0.83 H new ATOM 0 HA VAL A 146 4.103 -3.857 16.554 1.00 0.92 H new ATOM 0 HB VAL A 146 4.784 -4.175 14.186 1.00 0.94 H new ATOM 0 HG11 VAL A 146 5.249 -2.196 12.786 1.00 0.98 H new ATOM 0 HG12 VAL A 146 3.514 -2.417 13.114 1.00 0.98 H new ATOM 0 HG13 VAL A 146 4.434 -1.175 13.995 1.00 0.98 H new ATOM 0 HG21 VAL A 146 6.929 -2.956 14.328 1.00 1.88 H new ATOM 0 HG22 VAL A 146 6.274 -1.998 15.678 1.00 1.88 H new ATOM 0 HG23 VAL A 146 6.487 -3.756 15.855 1.00 1.88 H new ATOM 821 N GLY A 147 4.409 -1.510 17.426 1.00 1.44 N ATOM 822 CA GLY A 147 4.384 -0.246 18.122 1.00 1.79 C ATOM 823 C GLY A 147 5.713 0.073 18.778 1.00 1.96 C ATOM 824 O GLY A 147 6.694 -0.666 18.713 1.00 2.01 O ATOM 0 H GLY A 147 5.115 -2.155 17.781 1.00 1.44 H new ATOM 0 HA2 GLY A 147 4.127 0.548 17.421 1.00 1.79 H new ATOM 0 HA3 GLY A 147 3.602 -0.266 18.881 1.00 1.79 H new