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 -155:sc= 1.95 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -4.54 K(o=-2,f=-5.5) USER MOD Set 1.3: A 122 MET CE :methyl 159:sc= -7.01! (180deg=-7.6!) USER MOD Set 1.4: A 134 CYS SG : rot 80:sc= 3.73 USER MOD Set 1.5: A 137 CYS SG : rot -27:sc= 0.938 USER MOD Set 1.6: A 139 SER OG : rot 122:sc= 1.53 USER MOD Set 1.7: A 141 TYR OH : rot 31:sc= 1.41 USER MOD Single : A 94 MET CE :methyl -170:sc= 0 (180deg=-0.0898) USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.21) USER MOD Single : A 102 SER OG : rot -86:sc= 0.614 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 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.382 USER MOD Single : A 118 SER OG : rot 97:sc= 1.24 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 125 LYS NZ :NH3+ -156:sc= 1.22 (180deg=-0.0623) USER MOD Single : A 127 THR OG1 : rot -179:sc= 1.34 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 173:sc= 1.7 (180deg=1.65) USER MOD Single : A 144 ASN : amide:sc= -2.34 K(o=-2.3,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.985 -7.908 -0.459 1.00 0.67 N ATOM 2 CA MET A 94 -6.667 -7.560 0.792 1.00 0.75 C ATOM 3 C MET A 94 -6.652 -8.549 1.954 1.00 0.98 C ATOM 4 O MET A 94 -7.524 -8.525 2.815 1.00 2.01 O ATOM 5 CB MET A 94 -8.136 -7.280 0.468 1.00 0.93 C ATOM 6 CG MET A 94 -8.372 -6.544 -0.851 1.00 0.95 C ATOM 7 SD MET A 94 -9.859 -5.516 -1.002 1.00 1.39 S ATOM 8 CE MET A 94 -11.104 -6.658 -0.348 1.00 1.92 C ATOM 0 HA MET A 94 -6.083 -6.715 1.157 1.00 0.75 H new ATOM 0 HB2 MET A 94 -8.675 -8.227 0.441 1.00 0.93 H new ATOM 0 HB3 MET A 94 -8.567 -6.692 1.278 1.00 0.93 H new ATOM 0 HG2 MET A 94 -7.507 -5.908 -1.037 1.00 0.95 H new ATOM 0 HG3 MET A 94 -8.398 -7.288 -1.648 1.00 0.95 H new ATOM 0 HE1 MET A 94 -12.100 -6.255 -0.532 1.00 1.92 H new ATOM 0 HE2 MET A 94 -11.007 -7.624 -0.843 1.00 1.92 H new ATOM 0 HE3 MET A 94 -10.956 -6.783 0.725 1.00 1.92 H new ATOM 18 N LYS A 95 -5.683 -9.440 1.970 1.00 0.81 N ATOM 19 CA LYS A 95 -5.402 -10.258 3.142 1.00 0.89 C ATOM 20 C LYS A 95 -4.420 -9.567 4.081 1.00 0.94 C ATOM 21 O LYS A 95 -4.751 -9.262 5.218 1.00 1.34 O ATOM 22 CB LYS A 95 -4.937 -11.653 2.681 1.00 0.89 C ATOM 23 CG LYS A 95 -3.891 -11.692 1.541 1.00 0.78 C ATOM 24 CD LYS A 95 -2.576 -12.256 2.086 1.00 0.99 C ATOM 25 CE LYS A 95 -1.385 -12.310 1.123 1.00 1.10 C ATOM 26 NZ LYS A 95 -0.124 -12.573 1.873 1.00 2.31 N ATOM 0 H LYS A 95 -5.068 -9.621 1.177 1.00 0.81 H new ATOM 0 HA LYS A 95 -6.310 -10.390 3.730 1.00 0.89 H new ATOM 0 HB2 LYS A 95 -4.522 -12.176 3.543 1.00 0.89 H new ATOM 0 HB3 LYS A 95 -5.813 -12.215 2.359 1.00 0.89 H new ATOM 0 HG2 LYS A 95 -4.253 -12.310 0.719 1.00 0.78 H new ATOM 0 HG3 LYS A 95 -3.733 -10.690 1.141 1.00 0.78 H new ATOM 0 HD2 LYS A 95 -2.285 -11.659 2.950 1.00 0.99 H new ATOM 0 HD3 LYS A 95 -2.766 -13.267 2.446 1.00 0.99 H new ATOM 0 HE2 LYS A 95 -1.544 -13.092 0.381 1.00 1.10 H new ATOM 0 HE3 LYS A 95 -1.304 -11.368 0.581 1.00 1.10 H new ATOM 0 HZ1 LYS A 95 0.670 -12.641 1.205 1.00 2.31 H new ATOM 0 HZ2 LYS A 95 0.051 -11.795 2.541 1.00 2.31 H new ATOM 0 HZ3 LYS A 95 -0.212 -13.467 2.398 1.00 2.31 H new ATOM 40 N ASP A 96 -3.229 -9.345 3.532 1.00 0.94 N ATOM 41 CA ASP A 96 -1.947 -9.014 4.162 1.00 0.97 C ATOM 42 C ASP A 96 -0.816 -9.159 3.098 1.00 0.88 C ATOM 43 O ASP A 96 -0.058 -10.127 3.088 1.00 1.07 O ATOM 44 CB ASP A 96 -1.792 -9.937 5.369 1.00 1.17 C ATOM 45 CG ASP A 96 -0.519 -9.703 6.172 1.00 1.52 C ATOM 46 OD1 ASP A 96 -0.405 -8.577 6.706 1.00 2.73 O ATOM 47 OD2 ASP A 96 0.280 -10.663 6.261 1.00 1.76 O ATOM 0 H ASP A 96 -3.124 -9.398 2.519 1.00 0.94 H new ATOM 0 HA ASP A 96 -1.894 -7.986 4.520 1.00 0.97 H new ATOM 0 HB2 ASP A 96 -2.652 -9.806 6.026 1.00 1.17 H new ATOM 0 HB3 ASP A 96 -1.807 -10.972 5.026 1.00 1.17 H new ATOM 52 N PRO A 97 -0.830 -8.289 2.070 1.00 0.68 N ATOM 53 CA PRO A 97 -0.046 -8.335 0.833 1.00 0.62 C ATOM 54 C PRO A 97 1.388 -7.825 0.998 1.00 0.58 C ATOM 55 O PRO A 97 2.346 -8.586 0.939 1.00 1.00 O ATOM 56 CB PRO A 97 -0.813 -7.419 -0.136 1.00 0.53 C ATOM 57 CG PRO A 97 -1.576 -6.450 0.778 1.00 0.53 C ATOM 58 CD PRO A 97 -1.791 -7.220 2.043 1.00 0.64 C ATOM 0 HA PRO A 97 0.058 -9.364 0.488 1.00 0.62 H new ATOM 0 HB2 PRO A 97 -0.133 -6.886 -0.801 1.00 0.53 H new ATOM 0 HB3 PRO A 97 -1.494 -7.990 -0.767 1.00 0.53 H new ATOM 0 HG2 PRO A 97 -1.003 -5.541 0.959 1.00 0.53 H new ATOM 0 HG3 PRO A 97 -2.523 -6.146 0.332 1.00 0.53 H new ATOM 0 HD2 PRO A 97 -1.668 -6.572 2.911 1.00 0.64 H new ATOM 0 HD3 PRO A 97 -2.806 -7.616 2.082 1.00 0.64 H new ATOM 66 N ILE A 98 1.491 -6.509 1.159 1.00 0.53 N ATOM 67 CA ILE A 98 2.640 -5.677 1.437 1.00 0.48 C ATOM 68 C ILE A 98 2.397 -5.151 2.841 1.00 0.45 C ATOM 69 O ILE A 98 1.257 -4.871 3.215 1.00 0.43 O ATOM 70 CB ILE A 98 2.723 -4.482 0.465 1.00 0.47 C ATOM 71 CG1 ILE A 98 2.358 -4.795 -1.012 1.00 0.50 C ATOM 72 CG2 ILE A 98 4.074 -3.778 0.698 1.00 0.48 C ATOM 73 CD1 ILE A 98 3.407 -4.482 -2.071 1.00 0.64 C ATOM 0 H ILE A 98 0.653 -5.932 1.086 1.00 0.53 H new ATOM 0 HA ILE A 98 3.568 -6.239 1.332 1.00 0.48 H new ATOM 0 HB ILE A 98 1.925 -3.777 0.695 1.00 0.47 H new ATOM 0 HG12 ILE A 98 2.114 -5.855 -1.082 1.00 0.50 H new ATOM 0 HG13 ILE A 98 1.452 -4.242 -1.260 1.00 0.50 H new ATOM 0 HG21 ILE A 98 4.162 -2.927 0.023 1.00 0.48 H new ATOM 0 HG22 ILE A 98 4.130 -3.431 1.730 1.00 0.48 H new ATOM 0 HG23 ILE A 98 4.887 -4.478 0.506 1.00 0.48 H new ATOM 0 HD11 ILE A 98 3.022 -4.749 -3.055 1.00 0.64 H new ATOM 0 HD12 ILE A 98 3.640 -3.417 -2.049 1.00 0.64 H new ATOM 0 HD13 ILE A 98 4.311 -5.055 -1.868 1.00 0.64 H new ATOM 85 N ILE A 99 3.475 -4.985 3.579 1.00 0.47 N ATOM 86 CA ILE A 99 3.450 -4.589 4.981 1.00 0.45 C ATOM 87 C ILE A 99 3.900 -3.146 5.149 1.00 0.48 C ATOM 88 O ILE A 99 4.804 -2.684 4.459 1.00 0.67 O ATOM 89 CB ILE A 99 4.322 -5.558 5.806 1.00 0.51 C ATOM 90 CG1 ILE A 99 3.758 -6.995 5.775 1.00 0.57 C ATOM 91 CG2 ILE A 99 4.509 -5.091 7.255 1.00 0.53 C ATOM 92 CD1 ILE A 99 2.552 -7.259 6.690 1.00 0.62 C ATOM 0 H ILE A 99 4.418 -5.124 3.216 1.00 0.47 H new ATOM 0 HA ILE A 99 2.426 -4.646 5.351 1.00 0.45 H new ATOM 0 HB ILE A 99 5.304 -5.560 5.333 1.00 0.51 H new ATOM 0 HG12 ILE A 99 3.471 -7.231 4.750 1.00 0.57 H new ATOM 0 HG13 ILE A 99 4.556 -7.685 6.049 1.00 0.57 H new ATOM 0 HG21 ILE A 99 5.130 -5.808 7.791 1.00 0.53 H new ATOM 0 HG22 ILE A 99 4.993 -4.115 7.263 1.00 0.53 H new ATOM 0 HG23 ILE A 99 3.537 -5.018 7.742 1.00 0.53 H new ATOM 0 HD11 ILE A 99 2.239 -8.298 6.588 1.00 0.62 H new ATOM 0 HD12 ILE A 99 2.831 -7.064 7.725 1.00 0.62 H new ATOM 0 HD13 ILE A 99 1.729 -6.603 6.406 1.00 0.62 H new ATOM 104 N ILE A 100 3.260 -2.457 6.088 1.00 0.39 N ATOM 105 CA ILE A 100 3.646 -1.160 6.636 1.00 0.43 C ATOM 106 C ILE A 100 3.737 -1.269 8.152 1.00 0.52 C ATOM 107 O ILE A 100 2.716 -1.446 8.820 1.00 0.55 O ATOM 108 CB ILE A 100 2.607 -0.100 6.209 1.00 0.46 C ATOM 109 CG1 ILE A 100 2.483 -0.054 4.670 1.00 0.50 C ATOM 110 CG2 ILE A 100 2.916 1.291 6.795 1.00 0.61 C ATOM 111 CD1 ILE A 100 3.772 0.356 3.956 1.00 0.58 C ATOM 0 H ILE A 100 2.404 -2.811 6.514 1.00 0.39 H new ATOM 0 HA ILE A 100 4.621 -0.856 6.254 1.00 0.43 H new ATOM 0 HB ILE A 100 1.643 -0.399 6.622 1.00 0.46 H new ATOM 0 HG12 ILE A 100 2.177 -1.036 4.311 1.00 0.50 H new ATOM 0 HG13 ILE A 100 1.692 0.645 4.400 1.00 0.50 H new ATOM 0 HG21 ILE A 100 2.157 2.001 6.466 1.00 0.61 H new ATOM 0 HG22 ILE A 100 2.914 1.236 7.884 1.00 0.61 H new ATOM 0 HG23 ILE A 100 3.896 1.621 6.451 1.00 0.61 H new ATOM 0 HD11 ILE A 100 3.604 0.365 2.879 1.00 0.58 H new ATOM 0 HD12 ILE A 100 4.069 1.352 4.285 1.00 0.58 H new ATOM 0 HD13 ILE A 100 4.562 -0.356 4.194 1.00 0.58 H new ATOM 123 N GLU A 101 4.950 -1.117 8.670 1.00 0.66 N ATOM 124 CA GLU A 101 5.244 -1.029 10.102 1.00 0.72 C ATOM 125 C GLU A 101 4.665 0.236 10.735 1.00 0.81 C ATOM 126 O GLU A 101 4.729 1.344 10.198 1.00 0.95 O ATOM 127 CB GLU A 101 6.746 -1.143 10.395 1.00 0.78 C ATOM 128 CG GLU A 101 7.156 -2.614 10.565 1.00 1.12 C ATOM 129 CD GLU A 101 7.245 -3.368 9.240 1.00 2.63 C ATOM 130 OE1 GLU A 101 7.503 -2.721 8.201 1.00 3.60 O ATOM 131 OE2 GLU A 101 6.992 -4.589 9.288 1.00 3.71 O ATOM 0 H GLU A 101 5.786 -1.049 8.089 1.00 0.66 H new ATOM 0 HA GLU A 101 4.751 -1.885 10.562 1.00 0.72 H new ATOM 0 HB2 GLU A 101 7.315 -0.693 9.582 1.00 0.78 H new ATOM 0 HB3 GLU A 101 6.988 -0.586 11.300 1.00 0.78 H new ATOM 0 HG2 GLU A 101 8.122 -2.660 11.068 1.00 1.12 H new ATOM 0 HG3 GLU A 101 6.435 -3.113 11.213 1.00 1.12 H new ATOM 138 N SER A 102 4.110 0.065 11.928 1.00 0.93 N ATOM 139 CA SER A 102 3.315 1.095 12.572 1.00 1.12 C ATOM 140 C SER A 102 3.196 0.860 14.070 1.00 1.56 C ATOM 141 O SER A 102 2.547 -0.092 14.478 1.00 3.11 O ATOM 142 CB SER A 102 1.913 1.038 11.966 1.00 1.10 C ATOM 143 OG SER A 102 0.955 1.657 12.811 1.00 2.02 O ATOM 0 H SER A 102 4.200 -0.792 12.474 1.00 0.93 H new ATOM 0 HA SER A 102 3.795 2.061 12.417 1.00 1.12 H new ATOM 0 HB2 SER A 102 1.915 1.532 10.994 1.00 1.10 H new ATOM 0 HB3 SER A 102 1.631 -0.001 11.795 1.00 1.10 H new ATOM 0 HG SER A 102 0.630 1.007 13.468 1.00 2.02 H new ATOM 149 N TYR A 103 3.692 1.779 14.898 1.00 0.92 N ATOM 150 CA TYR A 103 3.394 1.765 16.337 1.00 0.92 C ATOM 151 C TYR A 103 2.089 2.544 16.672 1.00 0.91 C ATOM 152 O TYR A 103 1.826 2.808 17.843 1.00 1.27 O ATOM 153 CB TYR A 103 4.633 2.270 17.098 1.00 1.12 C ATOM 154 CG TYR A 103 5.945 1.516 16.856 1.00 1.20 C ATOM 155 CD1 TYR A 103 5.987 0.259 16.212 1.00 2.15 C ATOM 156 CD2 TYR A 103 7.154 2.099 17.280 1.00 2.15 C ATOM 157 CE1 TYR A 103 7.216 -0.362 15.930 1.00 2.19 C ATOM 158 CE2 TYR A 103 8.387 1.454 17.057 1.00 2.39 C ATOM 159 CZ TYR A 103 8.423 0.226 16.359 1.00 1.65 C ATOM 160 OH TYR A 103 9.608 -0.392 16.100 1.00 1.99 O ATOM 0 H TYR A 103 4.301 2.542 14.602 1.00 0.92 H new ATOM 0 HA TYR A 103 3.188 0.746 16.665 1.00 0.92 H new ATOM 0 HB2 TYR A 103 4.789 3.317 16.837 1.00 1.12 H new ATOM 0 HB3 TYR A 103 4.414 2.237 18.165 1.00 1.12 H new ATOM 0 HD1 TYR A 103 5.065 -0.230 15.934 1.00 2.15 H new ATOM 0 HD2 TYR A 103 7.136 3.054 17.783 1.00 2.15 H new ATOM 0 HE1 TYR A 103 7.236 -1.293 15.383 1.00 2.19 H new ATOM 0 HE2 TYR A 103 9.303 1.898 17.419 1.00 2.39 H new ATOM 0 HH TYR A 103 10.343 0.145 16.462 1.00 1.99 H new ATOM 170 N ASP A 104 1.306 2.938 15.652 1.00 0.78 N ATOM 171 CA ASP A 104 0.129 3.820 15.760 1.00 0.83 C ATOM 172 C ASP A 104 -1.218 3.061 15.618 1.00 1.17 C ATOM 173 O ASP A 104 -2.042 3.136 16.523 1.00 3.07 O ATOM 174 CB ASP A 104 0.178 4.913 14.664 1.00 0.91 C ATOM 175 CG ASP A 104 1.345 5.914 14.657 1.00 1.50 C ATOM 176 OD1 ASP A 104 2.341 5.786 15.402 1.00 2.35 O ATOM 177 OD2 ASP A 104 1.298 6.822 13.794 1.00 2.58 O ATOM 0 H ASP A 104 1.482 2.640 14.693 1.00 0.78 H new ATOM 0 HA ASP A 104 0.172 4.256 16.758 1.00 0.83 H new ATOM 0 HB2 ASP A 104 0.172 4.409 13.697 1.00 0.91 H new ATOM 0 HB3 ASP A 104 -0.746 5.487 14.731 1.00 0.91 H new ATOM 182 N ASP A 105 -1.415 2.410 14.454 1.00 1.07 N ATOM 183 CA ASP A 105 -2.609 1.781 13.817 1.00 0.98 C ATOM 184 C ASP A 105 -2.880 2.473 12.463 1.00 1.14 C ATOM 185 O ASP A 105 -3.037 1.844 11.425 1.00 1.74 O ATOM 186 CB ASP A 105 -3.895 1.743 14.688 1.00 1.06 C ATOM 187 CG ASP A 105 -5.160 1.281 13.940 1.00 2.83 C ATOM 188 OD1 ASP A 105 -5.021 0.681 12.851 1.00 4.23 O ATOM 189 OD2 ASP A 105 -6.289 1.489 14.437 1.00 3.77 O ATOM 0 H ASP A 105 -0.613 2.291 13.835 1.00 1.07 H new ATOM 0 HA ASP A 105 -2.356 0.730 13.679 1.00 0.98 H new ATOM 0 HB2 ASP A 105 -3.726 1.078 15.535 1.00 1.06 H new ATOM 0 HB3 ASP A 105 -4.072 2.738 15.095 1.00 1.06 H new ATOM 194 N TYR A 106 -2.899 3.799 12.442 1.00 0.88 N ATOM 195 CA TYR A 106 -3.369 4.602 11.300 1.00 1.08 C ATOM 196 C TYR A 106 -2.275 4.884 10.251 1.00 1.14 C ATOM 197 O TYR A 106 -2.551 5.533 9.238 1.00 1.95 O ATOM 198 CB TYR A 106 -3.985 5.919 11.820 1.00 1.74 C ATOM 199 CG TYR A 106 -4.341 5.890 13.294 1.00 1.13 C ATOM 200 CD1 TYR A 106 -3.366 6.282 14.228 1.00 2.23 C ATOM 201 CD2 TYR A 106 -5.529 5.272 13.727 1.00 1.56 C ATOM 202 CE1 TYR A 106 -3.565 6.043 15.599 1.00 1.90 C ATOM 203 CE2 TYR A 106 -5.755 5.072 15.103 1.00 1.99 C ATOM 204 CZ TYR A 106 -4.765 5.442 16.041 1.00 1.20 C ATOM 205 OH TYR A 106 -4.934 5.175 17.365 1.00 1.82 O ATOM 0 H TYR A 106 -2.584 4.366 13.229 1.00 0.88 H new ATOM 0 HA TYR A 106 -4.125 4.013 10.782 1.00 1.08 H new ATOM 0 HB2 TYR A 106 -3.282 6.733 11.642 1.00 1.74 H new ATOM 0 HB3 TYR A 106 -4.883 6.141 11.244 1.00 1.74 H new ATOM 0 HD1 TYR A 106 -2.462 6.768 13.891 1.00 2.23 H new ATOM 0 HD2 TYR A 106 -6.266 4.952 13.006 1.00 1.56 H new ATOM 0 HE1 TYR A 106 -2.803 6.318 16.313 1.00 1.90 H new ATOM 0 HE2 TYR A 106 -6.684 4.636 15.441 1.00 1.99 H new ATOM 0 HH TYR A 106 -5.812 4.763 17.506 1.00 1.82 H new ATOM 215 N ARG A 107 -1.031 4.451 10.510 1.00 1.03 N ATOM 216 CA ARG A 107 0.196 4.896 9.829 1.00 1.39 C ATOM 217 C ARG A 107 0.105 4.799 8.299 1.00 1.55 C ATOM 218 O ARG A 107 -0.126 3.733 7.736 1.00 2.18 O ATOM 219 CB ARG A 107 1.392 4.075 10.336 1.00 1.54 C ATOM 220 CG ARG A 107 2.738 4.807 10.264 1.00 2.09 C ATOM 221 CD ARG A 107 2.891 5.784 11.437 1.00 1.69 C ATOM 222 NE ARG A 107 4.215 6.427 11.447 1.00 2.49 N ATOM 223 CZ ARG A 107 4.696 7.175 12.438 1.00 3.00 C ATOM 224 NH1 ARG A 107 4.004 7.437 13.527 1.00 3.50 N ATOM 225 NH2 ARG A 107 5.913 7.674 12.351 1.00 4.10 N ATOM 0 H ARG A 107 -0.845 3.752 11.229 1.00 1.03 H new ATOM 0 HA ARG A 107 0.330 5.951 10.068 1.00 1.39 H new ATOM 0 HB2 ARG A 107 1.205 3.784 11.370 1.00 1.54 H new ATOM 0 HB3 ARG A 107 1.460 3.156 9.753 1.00 1.54 H new ATOM 0 HG2 ARG A 107 3.552 4.083 10.280 1.00 2.09 H new ATOM 0 HG3 ARG A 107 2.812 5.349 9.321 1.00 2.09 H new ATOM 0 HD2 ARG A 107 2.117 6.549 11.376 1.00 1.69 H new ATOM 0 HD3 ARG A 107 2.739 5.251 12.376 1.00 1.69 H new ATOM 0 HE ARG A 107 4.811 6.289 10.631 1.00 2.49 H new ATOM 0 HH11 ARG A 107 3.062 7.062 13.635 1.00 3.50 H new ATOM 0 HH12 ARG A 107 4.410 8.015 14.263 1.00 3.50 H new ATOM 0 HH21 ARG A 107 6.483 7.487 11.526 1.00 4.10 H new ATOM 0 HH22 ARG A 107 6.284 8.247 13.108 1.00 4.10 H new ATOM 239 N TYR A 108 0.289 5.926 7.613 1.00 1.09 N ATOM 240 CA TYR A 108 -0.006 6.057 6.178 1.00 0.77 C ATOM 241 C TYR A 108 1.116 5.536 5.238 1.00 0.67 C ATOM 242 O TYR A 108 2.254 5.350 5.662 1.00 0.97 O ATOM 243 CB TYR A 108 -0.400 7.520 5.884 1.00 0.79 C ATOM 244 CG TYR A 108 0.779 8.397 5.524 1.00 0.71 C ATOM 245 CD1 TYR A 108 1.593 8.961 6.523 1.00 1.86 C ATOM 246 CD2 TYR A 108 1.127 8.531 4.170 1.00 1.77 C ATOM 247 CE1 TYR A 108 2.775 9.639 6.167 1.00 1.73 C ATOM 248 CE2 TYR A 108 2.337 9.150 3.814 1.00 2.00 C ATOM 249 CZ TYR A 108 3.157 9.725 4.809 1.00 0.94 C ATOM 250 OH TYR A 108 4.315 10.351 4.460 1.00 1.18 O ATOM 0 H TYR A 108 0.649 6.782 8.035 1.00 1.09 H new ATOM 0 HA TYR A 108 -0.845 5.399 5.952 1.00 0.77 H new ATOM 0 HB2 TYR A 108 -1.120 7.538 5.066 1.00 0.79 H new ATOM 0 HB3 TYR A 108 -0.900 7.937 6.758 1.00 0.79 H new ATOM 0 HD1 TYR A 108 1.312 8.874 7.562 1.00 1.86 H new ATOM 0 HD2 TYR A 108 0.465 8.158 3.403 1.00 1.77 H new ATOM 0 HE1 TYR A 108 3.389 10.093 6.931 1.00 1.73 H new ATOM 0 HE2 TYR A 108 2.640 9.186 2.778 1.00 2.00 H new ATOM 0 HH TYR A 108 4.424 10.318 3.487 1.00 1.18 H new ATOM 260 N VAL A 109 0.787 5.327 3.961 1.00 0.53 N ATOM 261 CA VAL A 109 1.689 4.861 2.883 1.00 0.74 C ATOM 262 C VAL A 109 2.214 6.012 2.039 1.00 0.59 C ATOM 263 O VAL A 109 1.435 6.856 1.626 1.00 0.84 O ATOM 264 CB VAL A 109 0.933 3.907 1.934 1.00 1.38 C ATOM 265 CG1 VAL A 109 1.566 3.648 0.557 1.00 2.12 C ATOM 266 CG2 VAL A 109 0.801 2.573 2.645 1.00 2.08 C ATOM 0 H VAL A 109 -0.163 5.484 3.624 1.00 0.53 H new ATOM 0 HA VAL A 109 2.524 4.359 3.372 1.00 0.74 H new ATOM 0 HB VAL A 109 -0.012 4.405 1.716 1.00 1.38 H new ATOM 0 HG11 VAL A 109 0.936 2.962 -0.010 1.00 2.12 H new ATOM 0 HG12 VAL A 109 1.656 4.589 0.015 1.00 2.12 H new ATOM 0 HG13 VAL A 109 2.555 3.208 0.688 1.00 2.12 H new ATOM 0 HG21 VAL A 109 0.270 1.870 2.003 1.00 2.08 H new ATOM 0 HG22 VAL A 109 1.793 2.181 2.870 1.00 2.08 H new ATOM 0 HG23 VAL A 109 0.245 2.709 3.573 1.00 2.08 H new ATOM 276 N GLY A 110 3.504 5.973 1.711 1.00 0.54 N ATOM 277 CA GLY A 110 4.130 6.787 0.662 1.00 0.67 C ATOM 278 C GLY A 110 4.662 5.931 -0.485 1.00 0.73 C ATOM 279 O GLY A 110 5.875 5.837 -0.652 1.00 1.17 O ATOM 0 H GLY A 110 4.166 5.356 2.181 1.00 0.54 H new ATOM 0 HA2 GLY A 110 3.403 7.501 0.275 1.00 0.67 H new ATOM 0 HA3 GLY A 110 4.947 7.366 1.092 1.00 0.67 H new ATOM 283 N CYS A 111 3.770 5.323 -1.274 1.00 0.49 N ATOM 284 CA CYS A 111 4.126 4.482 -2.408 1.00 0.57 C ATOM 285 C CYS A 111 4.424 5.323 -3.672 1.00 0.57 C ATOM 286 O CYS A 111 3.648 6.209 -4.056 1.00 0.59 O ATOM 287 CB CYS A 111 3.002 3.442 -2.593 1.00 0.86 C ATOM 288 SG CYS A 111 2.969 2.570 -4.202 1.00 0.96 S ATOM 0 H CYS A 111 2.763 5.407 -1.135 1.00 0.49 H new ATOM 0 HA CYS A 111 5.058 3.949 -2.219 1.00 0.57 H new ATOM 0 HB2 CYS A 111 3.089 2.698 -1.801 1.00 0.86 H new ATOM 0 HB3 CYS A 111 2.044 3.944 -2.455 1.00 0.86 H new ATOM 0 HG CYS A 111 1.762 2.151 -4.444 1.00 0.96 H new ATOM 293 N THR A 112 5.533 4.983 -4.350 1.00 0.64 N ATOM 294 CA THR A 112 5.877 5.484 -5.696 1.00 0.67 C ATOM 295 C THR A 112 5.856 4.405 -6.774 1.00 0.66 C ATOM 296 O THR A 112 6.561 4.503 -7.777 1.00 0.72 O ATOM 297 CB THR A 112 7.205 6.245 -5.733 1.00 0.80 C ATOM 298 OG1 THR A 112 8.222 5.412 -5.235 1.00 0.86 O ATOM 299 CG2 THR A 112 7.133 7.518 -4.906 1.00 0.82 C ATOM 0 H THR A 112 6.230 4.341 -3.973 1.00 0.64 H new ATOM 0 HA THR A 112 5.080 6.190 -5.928 1.00 0.67 H new ATOM 0 HB THR A 112 7.419 6.527 -6.764 1.00 0.80 H new ATOM 0 HG1 THR A 112 9.077 5.891 -5.257 1.00 0.86 H new ATOM 0 HG21 THR A 112 8.091 8.036 -4.952 1.00 0.82 H new ATOM 0 HG22 THR A 112 6.351 8.165 -5.302 1.00 0.82 H new ATOM 0 HG23 THR A 112 6.906 7.267 -3.870 1.00 0.82 H new ATOM 307 N GLY A 113 5.077 3.339 -6.588 1.00 0.71 N ATOM 308 CA GLY A 113 5.006 2.264 -7.577 1.00 0.79 C ATOM 309 C GLY A 113 6.130 1.274 -7.375 1.00 1.18 C ATOM 310 O GLY A 113 7.020 1.171 -8.218 1.00 2.40 O ATOM 0 H GLY A 113 4.489 3.197 -5.766 1.00 0.71 H new ATOM 0 HA2 GLY A 113 4.047 1.753 -7.497 1.00 0.79 H new ATOM 0 HA3 GLY A 113 5.061 2.684 -8.581 1.00 0.79 H new ATOM 314 N SER A 114 6.096 0.559 -6.251 1.00 1.10 N ATOM 315 CA SER A 114 7.135 -0.413 -5.876 1.00 1.37 C ATOM 316 C SER A 114 8.477 0.311 -5.535 1.00 1.32 C ATOM 317 O SER A 114 8.557 1.534 -5.693 1.00 1.45 O ATOM 318 CB SER A 114 7.216 -1.452 -7.015 1.00 1.81 C ATOM 319 OG SER A 114 7.277 -2.782 -6.536 1.00 2.93 O ATOM 0 H SER A 114 5.343 0.635 -5.567 1.00 1.10 H new ATOM 0 HA SER A 114 6.892 -0.948 -4.958 1.00 1.37 H new ATOM 0 HB2 SER A 114 6.347 -1.343 -7.663 1.00 1.81 H new ATOM 0 HB3 SER A 114 8.096 -1.249 -7.625 1.00 1.81 H new ATOM 0 HG SER A 114 7.325 -3.401 -7.294 1.00 2.93 H new ATOM 325 N PRO A 115 9.543 -0.361 -5.049 1.00 1.48 N ATOM 326 CA PRO A 115 10.725 0.335 -4.523 1.00 1.64 C ATOM 327 C PRO A 115 11.611 0.994 -5.592 1.00 1.52 C ATOM 328 O PRO A 115 12.550 1.703 -5.239 1.00 2.09 O ATOM 329 CB PRO A 115 11.518 -0.725 -3.750 1.00 2.10 C ATOM 330 CG PRO A 115 11.126 -2.036 -4.422 1.00 2.18 C ATOM 331 CD PRO A 115 9.685 -1.797 -4.869 1.00 1.83 C ATOM 0 HA PRO A 115 10.398 1.168 -3.901 1.00 1.64 H new ATOM 0 HB2 PRO A 115 12.591 -0.548 -3.815 1.00 2.10 H new ATOM 0 HB3 PRO A 115 11.259 -0.725 -2.691 1.00 2.10 H new ATOM 0 HG2 PRO A 115 11.775 -2.262 -5.268 1.00 2.18 H new ATOM 0 HG3 PRO A 115 11.197 -2.877 -3.732 1.00 2.18 H new ATOM 0 HD2 PRO A 115 9.474 -2.327 -5.797 1.00 1.83 H new ATOM 0 HD3 PRO A 115 8.981 -2.166 -4.123 1.00 1.83 H new ATOM 339 N ALA A 116 11.358 0.745 -6.880 1.00 1.27 N ATOM 340 CA ALA A 116 12.204 1.199 -7.985 1.00 1.45 C ATOM 341 C ALA A 116 11.691 2.467 -8.700 1.00 1.40 C ATOM 342 O ALA A 116 12.283 2.878 -9.693 1.00 2.02 O ATOM 343 CB ALA A 116 12.383 0.004 -8.927 1.00 1.79 C ATOM 0 H ALA A 116 10.545 0.213 -7.188 1.00 1.27 H new ATOM 0 HA ALA A 116 13.167 1.525 -7.593 1.00 1.45 H new ATOM 0 HB1 ALA A 116 13.010 0.296 -9.770 1.00 1.79 H new ATOM 0 HB2 ALA A 116 12.858 -0.816 -8.388 1.00 1.79 H new ATOM 0 HB3 ALA A 116 11.409 -0.319 -9.294 1.00 1.79 H new ATOM 349 N GLY A 117 10.607 3.072 -8.195 1.00 1.00 N ATOM 350 CA GLY A 117 10.044 4.342 -8.679 1.00 1.02 C ATOM 351 C GLY A 117 9.342 4.193 -10.026 1.00 1.06 C ATOM 352 O GLY A 117 9.909 4.506 -11.067 1.00 1.66 O ATOM 0 H GLY A 117 10.081 2.680 -7.414 1.00 1.00 H new ATOM 0 HA2 GLY A 117 9.336 4.726 -7.944 1.00 1.02 H new ATOM 0 HA3 GLY A 117 10.842 5.079 -8.768 1.00 1.02 H new ATOM 356 N SER A 118 8.094 3.724 -10.021 1.00 0.77 N ATOM 357 CA SER A 118 7.365 3.433 -11.266 1.00 0.85 C ATOM 358 C SER A 118 6.336 4.496 -11.660 1.00 0.84 C ATOM 359 O SER A 118 6.125 4.742 -12.849 1.00 1.02 O ATOM 360 CB SER A 118 6.641 2.092 -11.145 1.00 0.91 C ATOM 361 OG SER A 118 7.512 1.021 -10.861 1.00 1.42 O ATOM 0 H SER A 118 7.563 3.536 -9.171 1.00 0.77 H new ATOM 0 HA SER A 118 8.125 3.416 -12.047 1.00 0.85 H new ATOM 0 HB2 SER A 118 5.889 2.161 -10.359 1.00 0.91 H new ATOM 0 HB3 SER A 118 6.111 1.886 -12.075 1.00 0.91 H new ATOM 0 HG SER A 118 7.510 0.845 -9.897 1.00 1.42 H new ATOM 367 N HIS A 119 5.656 5.107 -10.688 1.00 0.71 N ATOM 368 CA HIS A 119 4.634 6.125 -10.943 1.00 0.70 C ATOM 369 C HIS A 119 4.953 7.454 -10.227 1.00 0.78 C ATOM 370 O HIS A 119 6.128 7.733 -9.982 1.00 1.36 O ATOM 371 CB HIS A 119 3.299 5.447 -10.625 1.00 0.56 C ATOM 372 CG HIS A 119 3.016 5.164 -9.178 1.00 0.45 C ATOM 373 ND1 HIS A 119 2.910 6.070 -8.181 1.00 0.45 N ATOM 374 CD2 HIS A 119 2.592 3.965 -8.716 1.00 0.50 C ATOM 375 CE1 HIS A 119 2.446 5.480 -7.090 1.00 0.39 C ATOM 376 NE2 HIS A 119 2.224 4.184 -7.380 1.00 0.44 N ATOM 0 H HIS A 119 5.799 4.909 -9.698 1.00 0.71 H new ATOM 0 HA HIS A 119 4.594 6.463 -11.978 1.00 0.70 H new ATOM 0 HB2 HIS A 119 2.497 6.076 -11.012 1.00 0.56 H new ATOM 0 HB3 HIS A 119 3.257 4.504 -11.171 1.00 0.56 H new ATOM 0 HD2 HIS A 119 2.546 3.034 -9.262 1.00 0.50 H new ATOM 0 HE1 HIS A 119 2.276 5.955 -6.135 1.00 0.39 H new ATOM 0 HE2 HIS A 119 1.853 3.483 -6.739 1.00 0.44 H new ATOM 384 N THR A 120 3.950 8.283 -9.898 1.00 0.89 N ATOM 385 CA THR A 120 4.134 9.449 -9.003 1.00 0.90 C ATOM 386 C THR A 120 4.333 9.013 -7.553 1.00 0.79 C ATOM 387 O THR A 120 4.743 7.894 -7.309 1.00 0.76 O ATOM 388 CB THR A 120 2.982 10.424 -9.241 1.00 0.99 C ATOM 389 OG1 THR A 120 3.339 11.673 -8.710 1.00 1.07 O ATOM 390 CG2 THR A 120 1.670 9.962 -8.614 1.00 0.93 C ATOM 0 H THR A 120 2.995 8.171 -10.238 1.00 0.89 H new ATOM 0 HA THR A 120 5.055 9.984 -9.236 1.00 0.90 H new ATOM 0 HB THR A 120 2.813 10.482 -10.316 1.00 0.99 H new ATOM 0 HG1 THR A 120 2.610 12.311 -8.856 1.00 1.07 H new ATOM 0 HG21 THR A 120 0.891 10.696 -8.818 1.00 0.93 H new ATOM 0 HG22 THR A 120 1.382 9.000 -9.039 1.00 0.93 H new ATOM 0 HG23 THR A 120 1.798 9.859 -7.537 1.00 0.93 H new ATOM 398 N ILE A 121 4.012 9.847 -6.582 1.00 0.81 N ATOM 399 CA ILE A 121 3.815 9.513 -5.173 1.00 0.76 C ATOM 400 C ILE A 121 2.330 9.613 -4.819 1.00 0.72 C ATOM 401 O ILE A 121 1.614 10.461 -5.344 1.00 0.79 O ATOM 402 CB ILE A 121 4.681 10.451 -4.323 1.00 0.86 C ATOM 403 CG1 ILE A 121 4.606 10.128 -2.820 1.00 0.81 C ATOM 404 CG2 ILE A 121 4.248 11.906 -4.474 1.00 1.01 C ATOM 405 CD1 ILE A 121 5.490 8.979 -2.396 1.00 0.81 C ATOM 0 H ILE A 121 3.872 10.841 -6.762 1.00 0.81 H new ATOM 0 HA ILE A 121 4.122 8.487 -4.971 1.00 0.76 H new ATOM 0 HB ILE A 121 5.697 10.301 -4.689 1.00 0.86 H new ATOM 0 HG12 ILE A 121 4.885 11.016 -2.253 1.00 0.81 H new ATOM 0 HG13 ILE A 121 3.574 9.895 -2.560 1.00 0.81 H new ATOM 0 HG21 ILE A 121 4.884 12.541 -3.857 1.00 1.01 H new ATOM 0 HG22 ILE A 121 4.339 12.206 -5.518 1.00 1.01 H new ATOM 0 HG23 ILE A 121 3.211 12.012 -4.155 1.00 1.01 H new ATOM 0 HD11 ILE A 121 5.382 8.813 -1.324 1.00 0.81 H new ATOM 0 HD12 ILE A 121 5.198 8.077 -2.934 1.00 0.81 H new ATOM 0 HD13 ILE A 121 6.529 9.217 -2.623 1.00 0.81 H new ATOM 417 N MET A 122 1.868 8.765 -3.905 1.00 0.69 N ATOM 418 CA MET A 122 0.473 8.729 -3.467 1.00 0.72 C ATOM 419 C MET A 122 0.298 8.157 -2.055 1.00 0.67 C ATOM 420 O MET A 122 1.221 7.537 -1.526 1.00 0.73 O ATOM 421 CB MET A 122 -0.338 7.976 -4.520 1.00 1.04 C ATOM 422 CG MET A 122 0.133 6.536 -4.734 1.00 0.97 C ATOM 423 SD MET A 122 -0.756 5.315 -3.787 1.00 3.09 S ATOM 424 CE MET A 122 -2.326 5.564 -4.636 1.00 3.76 C ATOM 0 H MET A 122 2.458 8.074 -3.441 1.00 0.69 H new ATOM 0 HA MET A 122 0.099 9.749 -3.385 1.00 0.72 H new ATOM 0 HB2 MET A 122 -1.387 7.967 -4.223 1.00 1.04 H new ATOM 0 HB3 MET A 122 -0.280 8.514 -5.466 1.00 1.04 H new ATOM 0 HG2 MET A 122 0.043 6.292 -5.792 1.00 0.97 H new ATOM 0 HG3 MET A 122 1.191 6.473 -4.481 1.00 0.97 H new ATOM 0 HE1 MET A 122 -2.956 4.685 -4.501 1.00 3.76 H new ATOM 0 HE2 MET A 122 -2.829 6.438 -4.222 1.00 3.76 H new ATOM 0 HE3 MET A 122 -2.144 5.720 -5.699 1.00 3.76 H new ATOM 434 N TRP A 123 -0.875 8.396 -1.444 1.00 0.68 N ATOM 435 CA TRP A 123 -1.056 8.249 0.005 1.00 0.68 C ATOM 436 C TRP A 123 -2.247 7.363 0.388 1.00 0.65 C ATOM 437 O TRP A 123 -3.370 7.609 -0.052 1.00 0.87 O ATOM 438 CB TRP A 123 -1.161 9.613 0.706 1.00 0.79 C ATOM 439 CG TRP A 123 -0.408 10.772 0.122 1.00 0.96 C ATOM 440 CD1 TRP A 123 -0.966 11.898 -0.379 1.00 1.35 C ATOM 441 CD2 TRP A 123 1.035 10.980 0.041 1.00 1.01 C ATOM 442 NE1 TRP A 123 0.025 12.789 -0.736 1.00 1.47 N ATOM 443 CE2 TRP A 123 1.280 12.297 -0.450 1.00 1.21 C ATOM 444 CE3 TRP A 123 2.163 10.198 0.359 1.00 1.26 C ATOM 445 CZ2 TRP A 123 2.572 12.834 -0.554 1.00 1.32 C ATOM 446 CZ3 TRP A 123 3.465 10.729 0.277 1.00 1.51 C ATOM 447 CH2 TRP A 123 3.670 12.049 -0.162 1.00 1.43 C ATOM 0 H TRP A 123 -1.716 8.694 -1.938 1.00 0.68 H new ATOM 0 HA TRP A 123 -0.158 7.740 0.355 1.00 0.68 H new ATOM 0 HB2 TRP A 123 -2.215 9.887 0.745 1.00 0.79 H new ATOM 0 HB3 TRP A 123 -0.827 9.484 1.736 1.00 0.79 H new ATOM 0 HD1 TRP A 123 -2.027 12.073 -0.484 1.00 1.35 H new ATOM 0 HE1 TRP A 123 -0.150 13.700 -1.160 1.00 1.47 H new ATOM 0 HE3 TRP A 123 2.027 9.173 0.671 1.00 1.26 H new ATOM 0 HZ2 TRP A 123 2.721 13.836 -0.930 1.00 1.32 H new ATOM 0 HZ3 TRP A 123 4.312 10.118 0.553 1.00 1.51 H new ATOM 0 HH2 TRP A 123 4.669 12.459 -0.198 1.00 1.43 H new ATOM 458 N LEU A 124 -2.004 6.347 1.228 1.00 0.58 N ATOM 459 CA LEU A 124 -2.994 5.326 1.613 1.00 0.61 C ATOM 460 C LEU A 124 -3.026 5.117 3.135 1.00 0.62 C ATOM 461 O LEU A 124 -2.039 5.383 3.822 1.00 0.59 O ATOM 462 CB LEU A 124 -2.701 3.983 0.902 1.00 0.62 C ATOM 463 CG LEU A 124 -2.136 4.054 -0.534 1.00 0.61 C ATOM 464 CD1 LEU A 124 -1.819 2.649 -1.046 1.00 0.67 C ATOM 465 CD2 LEU A 124 -3.097 4.750 -1.504 1.00 0.73 C ATOM 0 H LEU A 124 -1.095 6.207 1.669 1.00 0.58 H new ATOM 0 HA LEU A 124 -3.973 5.688 1.299 1.00 0.61 H new ATOM 0 HB2 LEU A 124 -1.995 3.423 1.515 1.00 0.62 H new ATOM 0 HB3 LEU A 124 -3.626 3.407 0.873 1.00 0.62 H new ATOM 0 HG LEU A 124 -1.223 4.648 -0.490 1.00 0.61 H new ATOM 0 HD11 LEU A 124 -1.422 2.712 -2.059 1.00 0.67 H new ATOM 0 HD12 LEU A 124 -1.080 2.182 -0.395 1.00 0.67 H new ATOM 0 HD13 LEU A 124 -2.729 2.049 -1.050 1.00 0.67 H new ATOM 0 HD21 LEU A 124 -2.654 4.775 -2.500 1.00 0.73 H new ATOM 0 HD22 LEU A 124 -4.039 4.202 -1.539 1.00 0.73 H new ATOM 0 HD23 LEU A 124 -3.282 5.769 -1.164 1.00 0.73 H new ATOM 477 N LYS A 125 -4.140 4.579 3.655 1.00 0.70 N ATOM 478 CA LYS A 125 -4.386 4.305 5.089 1.00 0.72 C ATOM 479 C LYS A 125 -4.585 2.783 5.375 1.00 0.70 C ATOM 480 O LYS A 125 -5.716 2.302 5.393 1.00 0.96 O ATOM 481 CB LYS A 125 -5.551 5.207 5.573 1.00 1.00 C ATOM 482 CG LYS A 125 -6.948 4.903 4.979 1.00 2.42 C ATOM 483 CD LYS A 125 -7.931 4.317 6.015 1.00 3.53 C ATOM 484 CE LYS A 125 -8.924 3.348 5.356 1.00 5.02 C ATOM 485 NZ LYS A 125 -9.986 2.917 6.295 1.00 6.07 N ATOM 0 H LYS A 125 -4.930 4.310 3.068 1.00 0.70 H new ATOM 0 HA LYS A 125 -3.504 4.563 5.675 1.00 0.72 H new ATOM 0 HB2 LYS A 125 -5.616 5.128 6.658 1.00 1.00 H new ATOM 0 HB3 LYS A 125 -5.300 6.242 5.343 1.00 1.00 H new ATOM 0 HG2 LYS A 125 -7.368 5.820 4.566 1.00 2.42 H new ATOM 0 HG3 LYS A 125 -6.840 4.201 4.152 1.00 2.42 H new ATOM 0 HD2 LYS A 125 -7.374 3.796 6.794 1.00 3.53 H new ATOM 0 HD3 LYS A 125 -8.477 5.126 6.500 1.00 3.53 H new ATOM 0 HE2 LYS A 125 -9.379 3.829 4.490 1.00 5.02 H new ATOM 0 HE3 LYS A 125 -8.387 2.473 4.989 1.00 5.02 H new ATOM 0 HZ1 LYS A 125 -10.374 2.003 5.985 1.00 6.07 H new ATOM 0 HZ2 LYS A 125 -9.586 2.817 7.250 1.00 6.07 H new ATOM 0 HZ3 LYS A 125 -10.745 3.628 6.311 1.00 6.07 H new ATOM 499 N PRO A 126 -3.508 1.990 5.534 1.00 0.61 N ATOM 500 CA PRO A 126 -3.533 0.519 5.505 1.00 1.01 C ATOM 501 C PRO A 126 -3.946 -0.171 6.826 1.00 1.51 C ATOM 502 O PRO A 126 -3.510 -1.297 7.028 1.00 3.27 O ATOM 503 CB PRO A 126 -2.107 0.147 5.063 1.00 1.22 C ATOM 504 CG PRO A 126 -1.271 1.224 5.744 1.00 0.90 C ATOM 505 CD PRO A 126 -2.131 2.456 5.507 1.00 0.64 C ATOM 0 HA PRO A 126 -4.311 0.161 4.831 1.00 1.01 H new ATOM 0 HB2 PRO A 126 -1.827 -0.854 5.390 1.00 1.22 H new ATOM 0 HB3 PRO A 126 -1.997 0.170 3.979 1.00 1.22 H new ATOM 0 HG2 PRO A 126 -1.124 1.022 6.805 1.00 0.90 H new ATOM 0 HG3 PRO A 126 -0.281 1.321 5.298 1.00 0.90 H new ATOM 0 HD2 PRO A 126 -1.958 3.208 6.277 1.00 0.64 H new ATOM 0 HD3 PRO A 126 -1.894 2.920 4.550 1.00 0.64 H new ATOM 513 N THR A 127 -4.749 0.495 7.681 1.00 0.63 N ATOM 514 CA THR A 127 -5.086 0.306 9.123 1.00 0.60 C ATOM 515 C THR A 127 -4.831 -1.079 9.717 1.00 0.49 C ATOM 516 O THR A 127 -5.075 -2.086 9.060 1.00 0.43 O ATOM 517 CB THR A 127 -6.578 0.634 9.360 1.00 0.70 C ATOM 518 OG1 THR A 127 -7.108 1.442 8.323 1.00 1.00 O ATOM 519 CG2 THR A 127 -6.953 1.336 10.655 1.00 0.93 C ATOM 0 H THR A 127 -5.258 1.305 7.327 1.00 0.63 H new ATOM 0 HA THR A 127 -4.401 0.985 9.630 1.00 0.60 H new ATOM 0 HB THR A 127 -7.000 -0.370 9.400 1.00 0.70 H new ATOM 0 HG1 THR A 127 -8.049 1.639 8.511 1.00 1.00 H new ATOM 0 HG21 THR A 127 -8.030 1.500 10.681 1.00 0.93 H new ATOM 0 HG22 THR A 127 -6.660 0.717 11.503 1.00 0.93 H new ATOM 0 HG23 THR A 127 -6.438 2.295 10.711 1.00 0.93 H new ATOM 527 N VAL A 128 -4.501 -1.177 11.007 1.00 0.53 N ATOM 528 CA VAL A 128 -4.337 -2.498 11.656 1.00 0.47 C ATOM 529 C VAL A 128 -5.643 -3.330 11.568 1.00 0.60 C ATOM 530 O VAL A 128 -5.616 -4.552 11.416 1.00 0.83 O ATOM 531 CB VAL A 128 -3.858 -2.414 13.123 1.00 0.61 C ATOM 532 CG1 VAL A 128 -4.984 -2.002 14.077 1.00 0.69 C ATOM 533 CG2 VAL A 128 -3.230 -3.753 13.574 1.00 0.77 C ATOM 0 H VAL A 128 -4.343 -0.378 11.621 1.00 0.53 H new ATOM 0 HA VAL A 128 -3.547 -3.001 11.098 1.00 0.47 H new ATOM 0 HB VAL A 128 -3.096 -1.636 13.165 1.00 0.61 H new ATOM 0 HG11 VAL A 128 -4.599 -1.957 15.096 1.00 0.69 H new ATOM 0 HG12 VAL A 128 -5.365 -1.022 13.789 1.00 0.69 H new ATOM 0 HG13 VAL A 128 -5.790 -2.734 14.026 1.00 0.69 H new ATOM 0 HG21 VAL A 128 -2.900 -3.670 14.610 1.00 0.77 H new ATOM 0 HG22 VAL A 128 -3.971 -4.548 13.492 1.00 0.77 H new ATOM 0 HG23 VAL A 128 -2.375 -3.986 12.939 1.00 0.77 H new ATOM 543 N ASN A 129 -6.785 -2.630 11.603 1.00 0.82 N ATOM 544 CA ASN A 129 -8.155 -3.115 11.425 1.00 1.27 C ATOM 545 C ASN A 129 -8.506 -3.476 9.973 1.00 1.22 C ATOM 546 O ASN A 129 -9.559 -4.060 9.729 1.00 1.58 O ATOM 547 CB ASN A 129 -9.104 -2.028 11.966 1.00 1.73 C ATOM 548 CG ASN A 129 -9.109 -1.971 13.489 1.00 1.96 C ATOM 549 OD1 ASN A 129 -9.724 -2.807 14.136 1.00 2.21 O ATOM 550 ND2 ASN A 129 -8.442 -1.014 14.113 1.00 2.14 N ATOM 0 H ASN A 129 -6.769 -1.624 11.771 1.00 0.82 H new ATOM 0 HA ASN A 129 -8.262 -4.050 11.976 1.00 1.27 H new ATOM 0 HB2 ASN A 129 -8.805 -1.058 11.569 1.00 1.73 H new ATOM 0 HB3 ASN A 129 -10.115 -2.221 11.608 1.00 1.73 H new ATOM 0 HD21 ASN A 129 -8.441 -0.974 15.132 1.00 2.14 H new ATOM 0 HD22 ASN A 129 -7.929 -0.316 13.575 1.00 2.14 H new ATOM 557 N GLU A 130 -7.673 -3.097 9.003 1.00 0.85 N ATOM 558 CA GLU A 130 -8.051 -3.013 7.597 1.00 0.71 C ATOM 559 C GLU A 130 -6.893 -3.413 6.678 1.00 0.52 C ATOM 560 O GLU A 130 -6.102 -4.291 6.994 1.00 0.89 O ATOM 561 CB GLU A 130 -8.536 -1.583 7.287 1.00 0.83 C ATOM 562 CG GLU A 130 -9.604 -1.092 8.247 1.00 1.00 C ATOM 563 CD GLU A 130 -10.122 0.266 7.782 1.00 1.48 C ATOM 564 OE1 GLU A 130 -10.756 0.377 6.711 1.00 2.08 O ATOM 565 OE2 GLU A 130 -9.717 1.283 8.397 1.00 2.25 O ATOM 0 H GLU A 130 -6.702 -2.836 9.178 1.00 0.85 H new ATOM 0 HA GLU A 130 -8.861 -3.717 7.409 1.00 0.71 H new ATOM 0 HB2 GLU A 130 -7.685 -0.902 7.321 1.00 0.83 H new ATOM 0 HB3 GLU A 130 -8.928 -1.552 6.271 1.00 0.83 H new ATOM 0 HG2 GLU A 130 -10.424 -1.809 8.293 1.00 1.00 H new ATOM 0 HG3 GLU A 130 -9.194 -1.011 9.254 1.00 1.00 H new ATOM 572 N VAL A 131 -6.853 -2.759 5.521 1.00 0.47 N ATOM 573 CA VAL A 131 -5.975 -2.795 4.367 1.00 0.46 C ATOM 574 C VAL A 131 -6.174 -1.452 3.635 1.00 0.58 C ATOM 575 O VAL A 131 -7.139 -0.738 3.928 1.00 0.81 O ATOM 576 CB VAL A 131 -6.334 -3.944 3.415 1.00 0.48 C ATOM 577 CG1 VAL A 131 -6.170 -5.303 4.046 1.00 0.56 C ATOM 578 CG2 VAL A 131 -7.739 -3.829 2.807 1.00 0.69 C ATOM 0 H VAL A 131 -7.578 -2.062 5.351 1.00 0.47 H new ATOM 0 HA VAL A 131 -4.944 -2.951 4.686 1.00 0.46 H new ATOM 0 HB VAL A 131 -5.612 -3.846 2.604 1.00 0.48 H new ATOM 0 HG11 VAL A 131 -6.439 -6.074 3.324 1.00 0.56 H new ATOM 0 HG12 VAL A 131 -5.133 -5.439 4.353 1.00 0.56 H new ATOM 0 HG13 VAL A 131 -6.820 -5.380 4.918 1.00 0.56 H new ATOM 0 HG21 VAL A 131 -7.920 -4.676 2.146 1.00 0.69 H new ATOM 0 HG22 VAL A 131 -8.482 -3.826 3.605 1.00 0.69 H new ATOM 0 HG23 VAL A 131 -7.815 -2.902 2.238 1.00 0.69 H new ATOM 588 N ALA A 132 -5.352 -1.131 2.633 1.00 0.44 N ATOM 589 CA ALA A 132 -5.645 -0.063 1.669 1.00 0.44 C ATOM 590 C ALA A 132 -5.100 -0.377 0.275 1.00 0.42 C ATOM 591 O ALA A 132 -4.030 -0.958 0.155 1.00 0.40 O ATOM 592 CB ALA A 132 -5.105 1.269 2.190 1.00 0.51 C ATOM 0 H ALA A 132 -4.464 -1.603 2.465 1.00 0.44 H new ATOM 0 HA ALA A 132 -6.728 0.010 1.567 1.00 0.44 H new ATOM 0 HB1 ALA A 132 -5.325 2.057 1.470 1.00 0.51 H new ATOM 0 HB2 ALA A 132 -5.578 1.505 3.143 1.00 0.51 H new ATOM 0 HB3 ALA A 132 -4.026 1.195 2.328 1.00 0.51 H new ATOM 598 N ARG A 133 -5.847 0.019 -0.758 1.00 0.53 N ATOM 599 CA ARG A 133 -5.527 -0.189 -2.171 1.00 0.57 C ATOM 600 C ARG A 133 -4.947 1.090 -2.770 1.00 0.47 C ATOM 601 O ARG A 133 -5.521 2.160 -2.556 1.00 0.53 O ATOM 602 CB ARG A 133 -6.814 -0.568 -2.926 1.00 0.94 C ATOM 603 CG ARG A 133 -6.522 -1.315 -4.236 1.00 1.17 C ATOM 604 CD ARG A 133 -7.698 -1.382 -5.225 1.00 1.67 C ATOM 605 NE ARG A 133 -9.041 -1.565 -4.614 1.00 2.94 N ATOM 606 CZ ARG A 133 -9.500 -2.590 -3.897 1.00 4.26 C ATOM 607 NH1 ARG A 133 -8.745 -3.610 -3.558 1.00 4.97 N ATOM 608 NH2 ARG A 133 -10.757 -2.603 -3.499 1.00 5.63 N ATOM 0 H ARG A 133 -6.729 0.514 -0.626 1.00 0.53 H new ATOM 0 HA ARG A 133 -4.792 -0.989 -2.261 1.00 0.57 H new ATOM 0 HB2 ARG A 133 -7.438 -1.192 -2.286 1.00 0.94 H new ATOM 0 HB3 ARG A 133 -7.384 0.335 -3.144 1.00 0.94 H new ATOM 0 HG2 ARG A 133 -5.679 -0.833 -4.731 1.00 1.17 H new ATOM 0 HG3 ARG A 133 -6.212 -2.332 -3.995 1.00 1.17 H new ATOM 0 HD2 ARG A 133 -7.708 -0.464 -5.813 1.00 1.67 H new ATOM 0 HD3 ARG A 133 -7.519 -2.203 -5.919 1.00 1.67 H new ATOM 0 HE ARG A 133 -9.701 -0.802 -4.764 1.00 2.94 H new ATOM 0 HH11 ARG A 133 -7.767 -3.638 -3.845 1.00 4.97 H new ATOM 0 HH12 ARG A 133 -9.137 -4.374 -3.008 1.00 4.97 H new ATOM 0 HH21 ARG A 133 -11.376 -1.829 -3.740 1.00 5.63 H new ATOM 0 HH22 ARG A 133 -11.110 -3.387 -2.950 1.00 5.63 H new ATOM 622 N CYS A 134 -3.887 0.952 -3.564 1.00 0.48 N ATOM 623 CA CYS A 134 -3.460 1.975 -4.494 1.00 0.50 C ATOM 624 C CYS A 134 -4.453 2.179 -5.665 1.00 0.62 C ATOM 625 O CYS A 134 -5.374 1.388 -5.900 1.00 1.13 O ATOM 626 CB CYS A 134 -2.021 1.613 -4.890 1.00 0.47 C ATOM 627 SG CYS A 134 -1.089 2.686 -6.032 1.00 0.61 S ATOM 0 H CYS A 134 -3.301 0.117 -3.574 1.00 0.48 H new ATOM 0 HA CYS A 134 -3.461 2.966 -4.040 1.00 0.50 H new ATOM 0 HB2 CYS A 134 -1.441 1.539 -3.970 1.00 0.47 H new ATOM 0 HB3 CYS A 134 -2.048 0.617 -5.331 1.00 0.47 H new ATOM 0 HG CYS A 134 -0.626 3.712 -5.382 1.00 0.61 H new ATOM 632 N TRP A 135 -4.237 3.277 -6.387 1.00 0.61 N ATOM 633 CA TRP A 135 -4.909 3.613 -7.640 1.00 0.69 C ATOM 634 C TRP A 135 -3.913 3.822 -8.795 1.00 0.69 C ATOM 635 O TRP A 135 -4.337 3.869 -9.947 1.00 0.84 O ATOM 636 CB TRP A 135 -5.807 4.845 -7.405 1.00 0.76 C ATOM 637 CG TRP A 135 -5.131 6.170 -7.182 1.00 0.77 C ATOM 638 CD1 TRP A 135 -4.866 6.747 -5.984 1.00 0.94 C ATOM 639 CD2 TRP A 135 -4.621 7.105 -8.188 1.00 0.86 C ATOM 640 NE1 TRP A 135 -4.237 7.961 -6.181 1.00 1.08 N ATOM 641 CE2 TRP A 135 -4.036 8.220 -7.517 1.00 1.04 C ATOM 642 CE3 TRP A 135 -4.551 7.103 -9.599 1.00 0.96 C ATOM 643 CZ2 TRP A 135 -3.402 9.268 -8.200 1.00 1.24 C ATOM 644 CZ3 TRP A 135 -3.876 8.123 -10.293 1.00 1.17 C ATOM 645 CH2 TRP A 135 -3.310 9.208 -9.599 1.00 1.29 C ATOM 0 H TRP A 135 -3.561 3.986 -6.103 1.00 0.61 H new ATOM 0 HA TRP A 135 -5.533 2.775 -7.949 1.00 0.69 H new ATOM 0 HB2 TRP A 135 -6.469 4.947 -8.265 1.00 0.76 H new ATOM 0 HB3 TRP A 135 -6.438 4.640 -6.540 1.00 0.76 H new ATOM 0 HD1 TRP A 135 -5.110 6.322 -5.022 1.00 0.94 H new ATOM 0 HE1 TRP A 135 -3.956 8.589 -5.428 1.00 1.08 H new ATOM 0 HE3 TRP A 135 -5.023 6.306 -10.153 1.00 0.96 H new ATOM 0 HZ2 TRP A 135 -2.991 10.107 -7.658 1.00 1.24 H new ATOM 0 HZ3 TRP A 135 -3.791 8.073 -11.369 1.00 1.17 H new ATOM 0 HH2 TRP A 135 -2.806 9.993 -10.142 1.00 1.29 H new ATOM 656 N GLU A 136 -2.610 3.929 -8.501 1.00 0.60 N ATOM 657 CA GLU A 136 -1.575 4.239 -9.493 1.00 0.66 C ATOM 658 C GLU A 136 -0.931 2.943 -10.030 1.00 0.78 C ATOM 659 O GLU A 136 -1.042 2.649 -11.219 1.00 1.29 O ATOM 660 CB GLU A 136 -0.519 5.134 -8.835 1.00 0.60 C ATOM 661 CG GLU A 136 -0.832 6.630 -8.814 1.00 0.72 C ATOM 662 CD GLU A 136 -0.189 7.321 -10.012 1.00 1.02 C ATOM 663 OE1 GLU A 136 1.050 7.490 -9.977 1.00 1.44 O ATOM 664 OE2 GLU A 136 -0.902 7.624 -10.987 1.00 2.02 O ATOM 0 H GLU A 136 -2.243 3.801 -7.558 1.00 0.60 H new ATOM 0 HA GLU A 136 -2.022 4.761 -10.339 1.00 0.66 H new ATOM 0 HB2 GLU A 136 -0.375 4.798 -7.808 1.00 0.60 H new ATOM 0 HB3 GLU A 136 0.428 4.988 -9.354 1.00 0.60 H new ATOM 0 HG2 GLU A 136 -1.911 6.783 -8.833 1.00 0.72 H new ATOM 0 HG3 GLU A 136 -0.463 7.073 -7.889 1.00 0.72 H new ATOM 671 N CYS A 137 -0.289 2.155 -9.151 1.00 0.61 N ATOM 672 CA CYS A 137 0.132 0.780 -9.411 1.00 0.65 C ATOM 673 C CYS A 137 -0.902 -0.267 -8.910 1.00 0.74 C ATOM 674 O CYS A 137 -0.838 -1.441 -9.273 1.00 1.08 O ATOM 675 CB CYS A 137 1.512 0.579 -8.762 1.00 0.64 C ATOM 676 SG CYS A 137 1.560 0.755 -6.956 1.00 0.61 S ATOM 0 H CYS A 137 -0.044 2.473 -8.213 1.00 0.61 H new ATOM 0 HA CYS A 137 0.197 0.620 -10.487 1.00 0.65 H new ATOM 0 HB2 CYS A 137 1.875 -0.415 -9.022 1.00 0.64 H new ATOM 0 HB3 CYS A 137 2.207 1.297 -9.198 1.00 0.64 H new ATOM 0 HG CYS A 137 0.612 1.558 -6.573 1.00 0.61 H new ATOM 681 N GLY A 138 -1.845 0.136 -8.050 1.00 0.62 N ATOM 682 CA GLY A 138 -2.950 -0.711 -7.593 1.00 0.71 C ATOM 683 C GLY A 138 -2.541 -1.799 -6.601 1.00 0.76 C ATOM 684 O GLY A 138 -3.303 -2.744 -6.395 1.00 0.93 O ATOM 0 H GLY A 138 -1.861 1.073 -7.647 1.00 0.62 H new ATOM 0 HA2 GLY A 138 -3.708 -0.080 -7.130 1.00 0.71 H new ATOM 0 HA3 GLY A 138 -3.414 -1.182 -8.460 1.00 0.71 H new ATOM 688 N SER A 139 -1.367 -1.714 -5.971 1.00 0.65 N ATOM 689 CA SER A 139 -0.992 -2.647 -4.914 1.00 0.60 C ATOM 690 C SER A 139 -1.871 -2.415 -3.690 1.00 0.52 C ATOM 691 O SER A 139 -1.925 -1.293 -3.191 1.00 0.68 O ATOM 692 CB SER A 139 0.500 -2.525 -4.564 1.00 0.71 C ATOM 693 OG SER A 139 0.883 -1.187 -4.448 1.00 1.58 O ATOM 0 H SER A 139 -0.661 -1.007 -6.177 1.00 0.65 H new ATOM 0 HA SER A 139 -1.152 -3.664 -5.271 1.00 0.60 H new ATOM 0 HB2 SER A 139 0.701 -3.046 -3.628 1.00 0.71 H new ATOM 0 HB3 SER A 139 1.098 -3.012 -5.334 1.00 0.71 H new ATOM 0 HG SER A 139 1.256 -1.030 -3.555 1.00 1.58 H new ATOM 699 N VAL A 140 -2.523 -3.463 -3.174 1.00 0.54 N ATOM 700 CA VAL A 140 -3.042 -3.392 -1.804 1.00 0.45 C ATOM 701 C VAL A 140 -1.885 -3.550 -0.824 1.00 0.38 C ATOM 702 O VAL A 140 -0.938 -4.282 -1.097 1.00 0.45 O ATOM 703 CB VAL A 140 -4.152 -4.430 -1.508 1.00 0.52 C ATOM 704 CG1 VAL A 140 -4.766 -4.313 -0.101 1.00 0.49 C ATOM 705 CG2 VAL A 140 -5.331 -4.332 -2.488 1.00 0.67 C ATOM 0 H VAL A 140 -2.700 -4.340 -3.663 1.00 0.54 H new ATOM 0 HA VAL A 140 -3.512 -2.416 -1.685 1.00 0.45 H new ATOM 0 HB VAL A 140 -3.626 -5.379 -1.607 1.00 0.52 H new ATOM 0 HG11 VAL A 140 -5.535 -5.076 0.025 1.00 0.49 H new ATOM 0 HG12 VAL A 140 -3.988 -4.455 0.649 1.00 0.49 H new ATOM 0 HG13 VAL A 140 -5.211 -3.326 0.021 1.00 0.49 H new ATOM 0 HG21 VAL A 140 -6.079 -5.083 -2.233 1.00 0.67 H new ATOM 0 HG22 VAL A 140 -5.776 -3.339 -2.423 1.00 0.67 H new ATOM 0 HG23 VAL A 140 -4.975 -4.504 -3.504 1.00 0.67 H new ATOM 715 N TYR A 141 -2.014 -2.871 0.310 1.00 0.33 N ATOM 716 CA TYR A 141 -1.119 -2.781 1.458 1.00 0.34 C ATOM 717 C TYR A 141 -1.872 -3.089 2.743 1.00 0.36 C ATOM 718 O TYR A 141 -3.064 -2.806 2.842 1.00 0.41 O ATOM 719 CB TYR A 141 -0.626 -1.338 1.580 1.00 0.37 C ATOM 720 CG TYR A 141 0.334 -0.934 0.500 1.00 0.40 C ATOM 721 CD1 TYR A 141 -0.127 -0.449 -0.738 1.00 1.93 C ATOM 722 CD2 TYR A 141 1.707 -1.072 0.747 1.00 2.04 C ATOM 723 CE1 TYR A 141 0.793 -0.079 -1.730 1.00 1.92 C ATOM 724 CE2 TYR A 141 2.629 -0.709 -0.241 1.00 2.10 C ATOM 725 CZ TYR A 141 2.185 -0.209 -1.484 1.00 0.61 C ATOM 726 OH TYR A 141 3.115 0.115 -2.420 1.00 0.83 O ATOM 0 H TYR A 141 -2.847 -2.303 0.464 1.00 0.33 H new ATOM 0 HA TYR A 141 -0.301 -3.487 1.315 1.00 0.34 H new ATOM 0 HB2 TYR A 141 -1.485 -0.667 1.560 1.00 0.37 H new ATOM 0 HB3 TYR A 141 -0.144 -1.209 2.549 1.00 0.37 H new ATOM 0 HD1 TYR A 141 -1.187 -0.362 -0.924 1.00 1.93 H new ATOM 0 HD2 TYR A 141 2.052 -1.457 1.696 1.00 2.04 H new ATOM 0 HE1 TYR A 141 0.444 0.303 -2.678 1.00 1.92 H new ATOM 0 HE2 TYR A 141 3.687 -0.812 -0.051 1.00 2.10 H new ATOM 0 HH TYR A 141 2.774 0.841 -2.982 1.00 0.83 H new ATOM 736 N LYS A 142 -1.168 -3.589 3.754 1.00 0.38 N ATOM 737 CA LYS A 142 -1.742 -3.822 5.073 1.00 0.36 C ATOM 738 C LYS A 142 -0.794 -3.463 6.213 1.00 0.49 C ATOM 739 O LYS A 142 0.429 -3.420 6.063 1.00 0.62 O ATOM 740 CB LYS A 142 -2.187 -5.283 5.178 1.00 0.69 C ATOM 741 CG LYS A 142 -3.276 -5.451 6.229 1.00 0.64 C ATOM 742 CD LYS A 142 -2.866 -6.129 7.525 1.00 1.00 C ATOM 743 CE LYS A 142 -4.022 -5.705 8.429 1.00 1.30 C ATOM 744 NZ LYS A 142 -3.879 -6.169 9.818 1.00 2.48 N ATOM 0 H LYS A 142 -0.183 -3.844 3.681 1.00 0.38 H new ATOM 0 HA LYS A 142 -2.601 -3.159 5.179 1.00 0.36 H new ATOM 0 HB2 LYS A 142 -2.555 -5.624 4.211 1.00 0.69 H new ATOM 0 HB3 LYS A 142 -1.332 -5.909 5.433 1.00 0.69 H new ATOM 0 HG2 LYS A 142 -3.673 -4.465 6.470 1.00 0.64 H new ATOM 0 HG3 LYS A 142 -4.092 -6.024 5.787 1.00 0.64 H new ATOM 0 HD2 LYS A 142 -2.793 -7.212 7.423 1.00 1.00 H new ATOM 0 HD3 LYS A 142 -1.901 -5.778 7.891 1.00 1.00 H new ATOM 0 HE2 LYS A 142 -4.098 -4.618 8.423 1.00 1.30 H new ATOM 0 HE3 LYS A 142 -4.955 -6.092 8.019 1.00 1.30 H new ATOM 0 HZ1 LYS A 142 -4.630 -5.751 10.403 1.00 2.48 H new ATOM 0 HZ2 LYS A 142 -3.954 -7.206 9.847 1.00 2.48 H new ATOM 0 HZ3 LYS A 142 -2.951 -5.879 10.187 1.00 2.48 H new ATOM 758 N LEU A 143 -1.393 -3.214 7.371 1.00 0.56 N ATOM 759 CA LEU A 143 -0.670 -2.756 8.550 1.00 0.54 C ATOM 760 C LEU A 143 -0.683 -3.763 9.684 1.00 0.50 C ATOM 761 O LEU A 143 -1.661 -4.469 9.938 1.00 0.71 O ATOM 762 CB LEU A 143 -1.249 -1.411 8.961 1.00 0.52 C ATOM 763 CG LEU A 143 -0.531 -0.674 10.100 1.00 0.67 C ATOM 764 CD1 LEU A 143 -0.768 0.800 9.821 1.00 0.64 C ATOM 765 CD2 LEU A 143 -1.118 -0.995 11.477 1.00 0.89 C ATOM 0 H LEU A 143 -2.396 -3.324 7.519 1.00 0.56 H new ATOM 0 HA LEU A 143 0.385 -2.644 8.301 1.00 0.54 H new ATOM 0 HB2 LEU A 143 -1.256 -0.761 8.086 1.00 0.52 H new ATOM 0 HB3 LEU A 143 -2.288 -1.562 9.254 1.00 0.52 H new ATOM 0 HG LEU A 143 0.519 -0.967 10.127 1.00 0.67 H new ATOM 0 HD11 LEU A 143 -0.285 1.399 10.593 1.00 0.64 H new ATOM 0 HD12 LEU A 143 -0.351 1.058 8.848 1.00 0.64 H new ATOM 0 HD13 LEU A 143 -1.839 1.003 9.822 1.00 0.64 H new ATOM 0 HD21 LEU A 143 -0.571 -0.446 12.243 1.00 0.89 H new ATOM 0 HD22 LEU A 143 -2.168 -0.703 11.502 1.00 0.89 H new ATOM 0 HD23 LEU A 143 -1.034 -2.065 11.668 1.00 0.89 H new ATOM 777 N ASN A 144 0.438 -3.809 10.379 1.00 0.54 N ATOM 778 CA ASN A 144 0.711 -4.830 11.382 1.00 0.59 C ATOM 779 C ASN A 144 0.430 -4.323 12.820 1.00 0.70 C ATOM 780 O ASN A 144 0.448 -3.127 13.073 1.00 0.76 O ATOM 781 CB ASN A 144 2.141 -5.383 11.163 1.00 0.63 C ATOM 782 CG ASN A 144 3.211 -4.335 10.903 1.00 0.79 C ATOM 783 OD1 ASN A 144 3.046 -3.178 11.244 1.00 1.30 O ATOM 784 ND2 ASN A 144 4.324 -4.733 10.319 1.00 0.80 N ATOM 0 H ASN A 144 1.194 -3.134 10.265 1.00 0.54 H new ATOM 0 HA ASN A 144 0.021 -5.665 11.260 1.00 0.59 H new ATOM 0 HB2 ASN A 144 2.428 -5.961 12.042 1.00 0.63 H new ATOM 0 HB3 ASN A 144 2.120 -6.074 10.320 1.00 0.63 H new ATOM 0 HD21 ASN A 144 5.074 -4.065 10.142 1.00 0.80 H new ATOM 0 HD22 ASN A 144 4.435 -5.709 10.044 1.00 0.80 H new ATOM 791 N PRO A 145 0.151 -5.223 13.790 1.00 0.84 N ATOM 792 CA PRO A 145 -0.251 -4.906 15.178 1.00 1.03 C ATOM 793 C PRO A 145 0.880 -4.438 16.100 1.00 1.10 C ATOM 794 O PRO A 145 0.652 -4.169 17.275 1.00 1.51 O ATOM 795 CB PRO A 145 -0.770 -6.229 15.736 1.00 1.22 C ATOM 796 CG PRO A 145 0.169 -7.208 15.050 1.00 1.15 C ATOM 797 CD PRO A 145 0.177 -6.666 13.632 1.00 0.96 C ATOM 0 HA PRO A 145 -0.963 -4.081 15.147 1.00 1.03 H new ATOM 0 HB2 PRO A 145 -0.697 -6.277 16.823 1.00 1.22 H new ATOM 0 HB3 PRO A 145 -1.814 -6.406 15.478 1.00 1.22 H new ATOM 0 HG2 PRO A 145 1.163 -7.206 15.497 1.00 1.15 H new ATOM 0 HG3 PRO A 145 -0.199 -8.233 15.097 1.00 1.15 H new ATOM 0 HD2 PRO A 145 1.065 -6.989 13.089 1.00 0.96 H new ATOM 0 HD3 PRO A 145 -0.687 -7.018 13.068 1.00 0.96 H new ATOM 805 N VAL A 146 2.093 -4.452 15.571 1.00 0.87 N ATOM 806 CA VAL A 146 3.354 -4.040 16.181 1.00 0.93 C ATOM 807 C VAL A 146 3.245 -2.750 17.023 1.00 1.11 C ATOM 808 O VAL A 146 2.460 -1.857 16.722 1.00 1.68 O ATOM 809 CB VAL A 146 4.439 -3.947 15.091 1.00 1.14 C ATOM 810 CG1 VAL A 146 4.163 -2.859 14.070 1.00 0.94 C ATOM 811 CG2 VAL A 146 5.838 -3.719 15.643 1.00 2.01 C ATOM 0 H VAL A 146 2.236 -4.782 14.616 1.00 0.87 H new ATOM 0 HA VAL A 146 3.641 -4.804 16.903 1.00 0.93 H new ATOM 0 HB VAL A 146 4.398 -4.924 14.610 1.00 1.14 H new ATOM 0 HG11 VAL A 146 4.962 -2.844 13.329 1.00 0.94 H new ATOM 0 HG12 VAL A 146 3.213 -3.058 13.574 1.00 0.94 H new ATOM 0 HG13 VAL A 146 4.115 -1.893 14.572 1.00 0.94 H new ATOM 0 HG21 VAL A 146 6.550 -3.664 14.819 1.00 2.01 H new ATOM 0 HG22 VAL A 146 5.860 -2.785 16.204 1.00 2.01 H new ATOM 0 HG23 VAL A 146 6.108 -4.544 16.302 1.00 2.01 H new ATOM 821 N GLY A 147 4.052 -2.624 18.080 1.00 1.19 N ATOM 822 CA GLY A 147 4.136 -1.440 18.910 1.00 1.32 C ATOM 823 C GLY A 147 5.480 -1.373 19.617 1.00 1.47 C ATOM 824 O GLY A 147 6.385 -2.170 19.387 1.00 1.57 O ATOM 0 H GLY A 147 4.679 -3.369 18.383 1.00 1.19 H new ATOM 0 HA2 GLY A 147 3.997 -0.550 18.297 1.00 1.32 H new ATOM 0 HA3 GLY A 147 3.332 -1.448 19.646 1.00 1.32 H new