USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=16 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 -28:sc= 0.831 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -7.85! C(o=-9.3!,f=-12!) USER MOD Set 1.3: A 122 MET CE :methyl 161:sc= -7.85! (180deg=-7.95!) USER MOD Set 1.4: A 134 CYS SG : rot 79:sc= 3.5 USER MOD Set 1.5: A 137 CYS SG : rot -28:sc= -0.406 USER MOD Set 1.6: A 139 SER OG : rot 105:sc= 1.63 USER MOD Set 1.7: A 141 TYR OH : rot 55:sc= 0.838 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 139:sc= 0.948 USER MOD Single : A 103 TYR OH : rot 38:sc= 1.06 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 -73:sc= 0.822 USER MOD Single : A 118 SER OG : rot 57:sc= 1.25 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 170:sc= 1.27 USER MOD Single : A 129 ASN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 172:sc= 1.56 (180deg=1.51) USER MOD Single : A 144 ASN : amide:sc= -1.09 K(o=-1.1,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.524 -8.403 -0.589 1.00 0.68 N ATOM 2 CA MET A 94 -6.190 -8.136 0.693 1.00 0.65 C ATOM 3 C MET A 94 -5.969 -9.121 1.842 1.00 0.75 C ATOM 4 O MET A 94 -6.729 -9.197 2.802 1.00 1.63 O ATOM 5 CB MET A 94 -7.683 -8.066 0.434 1.00 0.73 C ATOM 6 CG MET A 94 -8.031 -7.222 -0.799 1.00 0.78 C ATOM 7 SD MET A 94 -9.454 -6.111 -0.699 1.00 1.10 S ATOM 8 CE MET A 94 -10.767 -7.330 -0.432 1.00 2.01 C ATOM 0 HA MET A 94 -5.731 -7.210 1.040 1.00 0.65 H new ATOM 0 HB2 MET A 94 -8.072 -9.075 0.300 1.00 0.73 H new ATOM 0 HB3 MET A 94 -8.180 -7.646 1.309 1.00 0.73 H new ATOM 0 HG2 MET A 94 -7.156 -6.621 -1.049 1.00 0.78 H new ATOM 0 HG3 MET A 94 -8.199 -7.904 -1.633 1.00 0.78 H new ATOM 0 HE1 MET A 94 -11.726 -6.819 -0.346 1.00 2.01 H new ATOM 0 HE2 MET A 94 -10.798 -8.021 -1.274 1.00 2.01 H new ATOM 0 HE3 MET A 94 -10.568 -7.884 0.485 1.00 2.01 H new ATOM 18 N LYS A 95 -4.920 -9.897 1.710 1.00 1.06 N ATOM 19 CA LYS A 95 -4.256 -10.532 2.832 1.00 1.06 C ATOM 20 C LYS A 95 -3.175 -9.579 3.356 1.00 1.15 C ATOM 21 O LYS A 95 -3.411 -8.418 3.672 1.00 1.94 O ATOM 22 CB LYS A 95 -3.747 -11.917 2.356 1.00 1.12 C ATOM 23 CG LYS A 95 -2.948 -11.809 1.040 1.00 1.06 C ATOM 24 CD LYS A 95 -1.588 -12.502 1.075 1.00 1.17 C ATOM 25 CE LYS A 95 -0.717 -12.067 -0.109 1.00 1.23 C ATOM 26 NZ LYS A 95 -1.143 -12.659 -1.402 1.00 2.59 N ATOM 0 H LYS A 95 -4.494 -10.111 0.808 1.00 1.06 H new ATOM 0 HA LYS A 95 -4.915 -10.722 3.679 1.00 1.06 H new ATOM 0 HB2 LYS A 95 -3.118 -12.359 3.129 1.00 1.12 H new ATOM 0 HB3 LYS A 95 -4.595 -12.587 2.213 1.00 1.12 H new ATOM 0 HG2 LYS A 95 -3.541 -12.237 0.232 1.00 1.06 H new ATOM 0 HG3 LYS A 95 -2.800 -10.755 0.803 1.00 1.06 H new ATOM 0 HD2 LYS A 95 -1.080 -12.266 2.010 1.00 1.17 H new ATOM 0 HD3 LYS A 95 -1.726 -13.583 1.051 1.00 1.17 H new ATOM 0 HE2 LYS A 95 -0.742 -10.980 -0.189 1.00 1.23 H new ATOM 0 HE3 LYS A 95 0.318 -12.348 0.088 1.00 1.23 H new ATOM 0 HZ1 LYS A 95 -0.514 -12.326 -2.160 1.00 2.59 H new ATOM 0 HZ2 LYS A 95 -1.093 -13.696 -1.342 1.00 2.59 H new ATOM 0 HZ3 LYS A 95 -2.120 -12.371 -1.611 1.00 2.59 H new ATOM 40 N ASP A 96 -1.972 -10.112 3.382 1.00 0.98 N ATOM 41 CA ASP A 96 -0.730 -9.526 3.791 1.00 0.89 C ATOM 42 C ASP A 96 0.238 -9.578 2.577 1.00 0.86 C ATOM 43 O ASP A 96 0.839 -10.614 2.276 1.00 0.94 O ATOM 44 CB ASP A 96 -0.338 -10.378 4.976 1.00 1.06 C ATOM 45 CG ASP A 96 1.027 -9.993 5.547 1.00 1.37 C ATOM 46 OD1 ASP A 96 1.521 -8.909 5.154 1.00 2.48 O ATOM 47 OD2 ASP A 96 1.511 -10.742 6.419 1.00 1.91 O ATOM 0 H ASP A 96 -1.835 -11.077 3.081 1.00 0.98 H new ATOM 0 HA ASP A 96 -0.746 -8.477 4.086 1.00 0.89 H new ATOM 0 HB2 ASP A 96 -1.094 -10.282 5.755 1.00 1.06 H new ATOM 0 HB3 ASP A 96 -0.321 -11.426 4.676 1.00 1.06 H new ATOM 52 N PRO A 97 0.217 -8.517 1.754 1.00 0.79 N ATOM 53 CA PRO A 97 0.994 -8.334 0.526 1.00 0.83 C ATOM 54 C PRO A 97 2.336 -7.652 0.784 1.00 0.78 C ATOM 55 O PRO A 97 3.351 -7.968 0.173 1.00 1.03 O ATOM 56 CB PRO A 97 0.131 -7.381 -0.316 1.00 0.84 C ATOM 57 CG PRO A 97 -0.645 -6.563 0.714 1.00 0.76 C ATOM 58 CD PRO A 97 -0.851 -7.548 1.837 1.00 0.77 C ATOM 0 HA PRO A 97 1.211 -9.294 0.058 1.00 0.83 H new ATOM 0 HB2 PRO A 97 0.746 -6.742 -0.949 1.00 0.84 H new ATOM 0 HB3 PRO A 97 -0.541 -7.931 -0.975 1.00 0.84 H new ATOM 0 HG2 PRO A 97 -0.084 -5.688 1.042 1.00 0.76 H new ATOM 0 HG3 PRO A 97 -1.592 -6.202 0.313 1.00 0.76 H new ATOM 0 HD2 PRO A 97 -0.837 -7.041 2.802 1.00 0.77 H new ATOM 0 HD3 PRO A 97 -1.822 -8.036 1.748 1.00 0.77 H new ATOM 66 N ILE A 98 2.269 -6.635 1.637 1.00 0.71 N ATOM 67 CA ILE A 98 3.248 -5.624 1.971 1.00 0.69 C ATOM 68 C ILE A 98 2.857 -5.168 3.363 1.00 0.59 C ATOM 69 O ILE A 98 1.674 -4.971 3.649 1.00 0.51 O ATOM 70 CB ILE A 98 3.208 -4.402 1.033 1.00 0.71 C ATOM 71 CG1 ILE A 98 2.944 -4.670 -0.479 1.00 0.79 C ATOM 72 CG2 ILE A 98 4.485 -3.585 1.317 1.00 0.78 C ATOM 73 CD1 ILE A 98 4.177 -4.857 -1.359 1.00 0.97 C ATOM 0 H ILE A 98 1.415 -6.489 2.175 1.00 0.71 H new ATOM 0 HA ILE A 98 4.253 -6.037 1.889 1.00 0.69 H new ATOM 0 HB ILE A 98 2.310 -3.831 1.266 1.00 0.71 H new ATOM 0 HG12 ILE A 98 2.324 -5.562 -0.565 1.00 0.79 H new ATOM 0 HG13 ILE A 98 2.363 -3.838 -0.877 1.00 0.79 H new ATOM 0 HG21 ILE A 98 4.504 -2.705 0.675 1.00 0.78 H new ATOM 0 HG22 ILE A 98 4.492 -3.273 2.361 1.00 0.78 H new ATOM 0 HG23 ILE A 98 5.362 -4.200 1.116 1.00 0.78 H new ATOM 0 HD11 ILE A 98 3.866 -5.036 -2.388 1.00 0.97 H new ATOM 0 HD12 ILE A 98 4.793 -3.959 -1.318 1.00 0.97 H new ATOM 0 HD13 ILE A 98 4.754 -5.710 -1.001 1.00 0.97 H new ATOM 85 N ILE A 99 3.870 -4.948 4.179 1.00 0.63 N ATOM 86 CA ILE A 99 3.740 -4.526 5.563 1.00 0.60 C ATOM 87 C ILE A 99 4.173 -3.083 5.693 1.00 0.57 C ATOM 88 O ILE A 99 5.198 -2.684 5.146 1.00 0.64 O ATOM 89 CB ILE A 99 4.585 -5.441 6.463 1.00 0.69 C ATOM 90 CG1 ILE A 99 3.997 -6.863 6.475 1.00 0.76 C ATOM 91 CG2 ILE A 99 4.731 -4.888 7.890 1.00 0.70 C ATOM 92 CD1 ILE A 99 2.748 -7.055 7.347 1.00 0.73 C ATOM 0 H ILE A 99 4.841 -5.062 3.887 1.00 0.63 H new ATOM 0 HA ILE A 99 2.700 -4.603 5.879 1.00 0.60 H new ATOM 0 HB ILE A 99 5.590 -5.478 6.042 1.00 0.69 H new ATOM 0 HG12 ILE A 99 3.750 -7.144 5.451 1.00 0.76 H new ATOM 0 HG13 ILE A 99 4.768 -7.553 6.818 1.00 0.76 H new ATOM 0 HG21 ILE A 99 5.337 -5.572 8.485 1.00 0.70 H new ATOM 0 HG22 ILE A 99 5.215 -3.912 7.854 1.00 0.70 H new ATOM 0 HG23 ILE A 99 3.745 -4.788 8.344 1.00 0.70 H new ATOM 0 HD11 ILE A 99 2.416 -8.091 7.284 1.00 0.73 H new ATOM 0 HD12 ILE A 99 2.987 -6.813 8.383 1.00 0.73 H new ATOM 0 HD13 ILE A 99 1.953 -6.397 6.994 1.00 0.73 H new ATOM 104 N ILE A 100 3.383 -2.328 6.444 1.00 0.50 N ATOM 105 CA ILE A 100 3.566 -0.932 6.808 1.00 0.52 C ATOM 106 C ILE A 100 3.374 -0.835 8.315 1.00 0.66 C ATOM 107 O ILE A 100 2.258 -1.032 8.801 1.00 0.71 O ATOM 108 CB ILE A 100 2.531 -0.089 6.027 1.00 0.39 C ATOM 109 CG1 ILE A 100 2.730 -0.262 4.499 1.00 0.41 C ATOM 110 CG2 ILE A 100 2.546 1.397 6.430 1.00 0.56 C ATOM 111 CD1 ILE A 100 4.112 0.180 4.007 1.00 0.57 C ATOM 0 H ILE A 100 2.527 -2.709 6.847 1.00 0.50 H new ATOM 0 HA ILE A 100 4.557 -0.554 6.556 1.00 0.52 H new ATOM 0 HB ILE A 100 1.544 -0.466 6.294 1.00 0.39 H new ATOM 0 HG12 ILE A 100 2.578 -1.309 4.237 1.00 0.41 H new ATOM 0 HG13 ILE A 100 1.966 0.312 3.974 1.00 0.41 H new ATOM 0 HG21 ILE A 100 1.800 1.939 5.849 1.00 0.56 H new ATOM 0 HG22 ILE A 100 2.317 1.488 7.492 1.00 0.56 H new ATOM 0 HG23 ILE A 100 3.533 1.817 6.235 1.00 0.56 H new ATOM 0 HD11 ILE A 100 4.180 0.030 2.929 1.00 0.57 H new ATOM 0 HD12 ILE A 100 4.260 1.235 4.237 1.00 0.57 H new ATOM 0 HD13 ILE A 100 4.881 -0.411 4.504 1.00 0.57 H new ATOM 123 N GLU A 101 4.473 -0.531 9.003 1.00 0.88 N ATOM 124 CA GLU A 101 4.488 -0.206 10.422 1.00 1.15 C ATOM 125 C GLU A 101 3.723 1.093 10.678 1.00 1.28 C ATOM 126 O GLU A 101 3.325 1.834 9.775 1.00 1.83 O ATOM 127 CB GLU A 101 5.917 -0.012 10.943 1.00 1.54 C ATOM 128 CG GLU A 101 6.948 -1.137 10.870 1.00 1.18 C ATOM 129 CD GLU A 101 7.008 -2.181 11.977 1.00 2.05 C ATOM 130 OE1 GLU A 101 7.436 -1.806 13.096 1.00 3.18 O ATOM 131 OE2 GLU A 101 6.712 -3.359 11.668 1.00 3.01 O ATOM 0 H GLU A 101 5.399 -0.504 8.576 1.00 0.88 H new ATOM 0 HA GLU A 101 4.020 -1.042 10.941 1.00 1.15 H new ATOM 0 HB2 GLU A 101 6.337 0.840 10.408 1.00 1.54 H new ATOM 0 HB3 GLU A 101 5.837 0.278 11.991 1.00 1.54 H new ATOM 0 HG2 GLU A 101 6.785 -1.667 9.932 1.00 1.18 H new ATOM 0 HG3 GLU A 101 7.932 -0.673 10.807 1.00 1.18 H new ATOM 138 N SER A 102 3.551 1.399 11.952 1.00 1.18 N ATOM 139 CA SER A 102 2.618 2.425 12.365 1.00 1.24 C ATOM 140 C SER A 102 2.923 3.004 13.738 1.00 1.55 C ATOM 141 O SER A 102 3.083 4.215 13.876 1.00 2.99 O ATOM 142 CB SER A 102 1.226 1.784 12.332 1.00 1.30 C ATOM 143 OG SER A 102 1.061 0.732 13.267 1.00 2.69 O ATOM 0 H SER A 102 4.049 0.948 12.719 1.00 1.18 H new ATOM 0 HA SER A 102 2.690 3.275 11.687 1.00 1.24 H new ATOM 0 HB2 SER A 102 0.477 2.552 12.527 1.00 1.30 H new ATOM 0 HB3 SER A 102 1.036 1.400 11.330 1.00 1.30 H new ATOM 0 HG SER A 102 0.173 0.794 13.676 1.00 2.69 H new ATOM 149 N TYR A 103 2.967 2.119 14.734 1.00 0.99 N ATOM 150 CA TYR A 103 2.953 2.412 16.163 1.00 1.00 C ATOM 151 C TYR A 103 1.613 3.074 16.577 1.00 1.02 C ATOM 152 O TYR A 103 1.542 3.796 17.564 1.00 1.30 O ATOM 153 CB TYR A 103 4.267 3.117 16.551 1.00 1.12 C ATOM 154 CG TYR A 103 5.517 2.526 15.881 1.00 1.33 C ATOM 155 CD1 TYR A 103 5.918 1.192 16.120 1.00 1.61 C ATOM 156 CD2 TYR A 103 6.237 3.281 14.933 1.00 2.67 C ATOM 157 CE1 TYR A 103 6.974 0.609 15.397 1.00 1.87 C ATOM 158 CE2 TYR A 103 7.309 2.708 14.214 1.00 3.05 C ATOM 159 CZ TYR A 103 7.649 1.352 14.410 1.00 2.20 C ATOM 160 OH TYR A 103 8.546 0.726 13.600 1.00 2.75 O ATOM 0 H TYR A 103 3.016 1.117 14.551 1.00 0.99 H new ATOM 0 HA TYR A 103 2.955 1.508 16.772 1.00 1.00 H new ATOM 0 HB2 TYR A 103 4.192 4.172 16.289 1.00 1.12 H new ATOM 0 HB3 TYR A 103 4.389 3.065 17.633 1.00 1.12 H new ATOM 0 HD1 TYR A 103 5.404 0.610 16.871 1.00 1.61 H new ATOM 0 HD2 TYR A 103 5.965 4.311 14.754 1.00 2.67 H new ATOM 0 HE1 TYR A 103 7.268 -0.410 15.599 1.00 1.87 H new ATOM 0 HE2 TYR A 103 7.870 3.308 13.513 1.00 3.05 H new ATOM 0 HH TYR A 103 8.220 -0.172 13.383 1.00 2.75 H new ATOM 170 N ASP A 104 0.556 2.764 15.805 1.00 1.02 N ATOM 171 CA ASP A 104 -0.826 3.295 15.843 1.00 1.09 C ATOM 172 C ASP A 104 -1.755 2.445 14.946 1.00 1.10 C ATOM 173 O ASP A 104 -1.291 1.776 14.023 1.00 1.98 O ATOM 174 CB ASP A 104 -0.892 4.736 15.304 1.00 1.20 C ATOM 175 CG ASP A 104 -0.393 5.842 16.229 1.00 2.00 C ATOM 176 OD1 ASP A 104 -1.154 6.246 17.132 1.00 3.67 O ATOM 177 OD2 ASP A 104 0.662 6.432 15.892 1.00 1.87 O ATOM 0 H ASP A 104 0.654 2.068 15.066 1.00 1.02 H new ATOM 0 HA ASP A 104 -1.142 3.265 16.886 1.00 1.09 H new ATOM 0 HB2 ASP A 104 -0.315 4.780 14.381 1.00 1.20 H new ATOM 0 HB3 ASP A 104 -1.928 4.954 15.043 1.00 1.20 H new ATOM 182 N ASP A 105 -3.073 2.507 15.139 1.00 1.28 N ATOM 183 CA ASP A 105 -4.017 1.604 14.460 1.00 1.14 C ATOM 184 C ASP A 105 -4.430 2.028 13.028 1.00 1.06 C ATOM 185 O ASP A 105 -5.276 1.369 12.427 1.00 1.39 O ATOM 186 CB ASP A 105 -5.251 1.392 15.362 1.00 1.22 C ATOM 187 CG ASP A 105 -4.928 0.734 16.707 1.00 1.79 C ATOM 188 OD1 ASP A 105 -4.377 -0.390 16.682 1.00 2.39 O ATOM 189 OD2 ASP A 105 -5.284 1.348 17.738 1.00 2.97 O ATOM 0 H ASP A 105 -3.519 3.178 15.765 1.00 1.28 H new ATOM 0 HA ASP A 105 -3.485 0.665 14.308 1.00 1.14 H new ATOM 0 HB2 ASP A 105 -5.726 2.356 15.544 1.00 1.22 H new ATOM 0 HB3 ASP A 105 -5.976 0.775 14.831 1.00 1.22 H new ATOM 194 N TYR A 106 -3.874 3.108 12.456 1.00 0.84 N ATOM 195 CA TYR A 106 -4.473 3.868 11.328 1.00 0.93 C ATOM 196 C TYR A 106 -3.483 4.790 10.566 1.00 1.01 C ATOM 197 O TYR A 106 -3.835 5.898 10.136 1.00 1.79 O ATOM 198 CB TYR A 106 -5.714 4.629 11.852 1.00 1.12 C ATOM 199 CG TYR A 106 -5.504 5.284 13.208 1.00 0.94 C ATOM 200 CD1 TYR A 106 -4.632 6.381 13.363 1.00 1.92 C ATOM 201 CD2 TYR A 106 -6.085 4.690 14.343 1.00 1.96 C ATOM 202 CE1 TYR A 106 -4.316 6.851 14.652 1.00 2.09 C ATOM 203 CE2 TYR A 106 -5.749 5.134 15.634 1.00 1.97 C ATOM 204 CZ TYR A 106 -4.864 6.222 15.791 1.00 1.26 C ATOM 205 OH TYR A 106 -4.518 6.657 17.031 1.00 1.68 O ATOM 0 H TYR A 106 -2.980 3.491 12.764 1.00 0.84 H new ATOM 0 HA TYR A 106 -4.772 3.148 10.567 1.00 0.93 H new ATOM 0 HB2 TYR A 106 -5.992 5.395 11.128 1.00 1.12 H new ATOM 0 HB3 TYR A 106 -6.552 3.936 11.920 1.00 1.12 H new ATOM 0 HD1 TYR A 106 -4.207 6.860 12.494 1.00 1.92 H new ATOM 0 HD2 TYR A 106 -6.796 3.886 14.222 1.00 1.96 H new ATOM 0 HE1 TYR A 106 -3.653 7.695 14.770 1.00 2.09 H new ATOM 0 HE2 TYR A 106 -6.166 4.645 16.502 1.00 1.97 H new ATOM 0 HH TYR A 106 -4.982 6.120 17.707 1.00 1.68 H new ATOM 215 N ARG A 107 -2.222 4.362 10.426 1.00 0.74 N ATOM 216 CA ARG A 107 -1.126 5.137 9.804 1.00 0.75 C ATOM 217 C ARG A 107 -1.148 5.103 8.261 1.00 0.78 C ATOM 218 O ARG A 107 -2.173 4.812 7.646 1.00 1.24 O ATOM 219 CB ARG A 107 0.212 4.693 10.428 1.00 0.93 C ATOM 220 CG ARG A 107 0.356 5.292 11.836 1.00 2.00 C ATOM 221 CD ARG A 107 0.992 6.684 11.835 1.00 2.37 C ATOM 222 NE ARG A 107 0.978 7.265 13.183 1.00 3.51 N ATOM 223 CZ ARG A 107 0.988 8.547 13.510 1.00 4.47 C ATOM 224 NH1 ARG A 107 1.065 9.505 12.609 1.00 4.89 N ATOM 225 NH2 ARG A 107 0.916 8.870 14.777 1.00 5.60 N ATOM 0 H ARG A 107 -1.921 3.442 10.749 1.00 0.74 H new ATOM 0 HA ARG A 107 -1.269 6.195 10.025 1.00 0.75 H new ATOM 0 HB2 ARG A 107 0.256 3.605 10.480 1.00 0.93 H new ATOM 0 HB3 ARG A 107 1.042 5.016 9.799 1.00 0.93 H new ATOM 0 HG2 ARG A 107 -0.628 5.349 12.302 1.00 2.00 H new ATOM 0 HG3 ARG A 107 0.961 4.623 12.449 1.00 2.00 H new ATOM 0 HD2 ARG A 107 2.018 6.620 11.473 1.00 2.37 H new ATOM 0 HD3 ARG A 107 0.452 7.335 11.148 1.00 2.37 H new ATOM 0 HE ARG A 107 0.958 6.603 13.958 1.00 3.51 H new ATOM 0 HH11 ARG A 107 1.120 9.270 11.618 1.00 4.89 H new ATOM 0 HH12 ARG A 107 1.070 10.482 12.902 1.00 4.89 H new ATOM 0 HH21 ARG A 107 0.854 8.140 15.487 1.00 5.60 H new ATOM 0 HH22 ARG A 107 0.922 9.852 15.054 1.00 5.60 H new ATOM 239 N TYR A 108 -0.047 5.504 7.611 1.00 1.14 N ATOM 240 CA TYR A 108 0.018 5.670 6.154 1.00 1.00 C ATOM 241 C TYR A 108 1.343 5.204 5.523 1.00 0.91 C ATOM 242 O TYR A 108 2.367 5.138 6.193 1.00 0.97 O ATOM 243 CB TYR A 108 -0.352 7.113 5.757 1.00 0.97 C ATOM 244 CG TYR A 108 0.820 8.054 5.647 1.00 0.91 C ATOM 245 CD1 TYR A 108 1.545 8.137 4.441 1.00 1.85 C ATOM 246 CD2 TYR A 108 1.208 8.808 6.767 1.00 1.97 C ATOM 247 CE1 TYR A 108 2.682 8.957 4.373 1.00 1.83 C ATOM 248 CE2 TYR A 108 2.332 9.646 6.691 1.00 2.02 C ATOM 249 CZ TYR A 108 3.077 9.723 5.495 1.00 0.98 C ATOM 250 OH TYR A 108 4.170 10.532 5.435 1.00 1.15 O ATOM 0 H TYR A 108 0.829 5.724 8.085 1.00 1.14 H new ATOM 0 HA TYR A 108 -0.728 4.996 5.733 1.00 1.00 H new ATOM 0 HB2 TYR A 108 -0.874 7.090 4.800 1.00 0.97 H new ATOM 0 HB3 TYR A 108 -1.052 7.510 6.492 1.00 0.97 H new ATOM 0 HD1 TYR A 108 1.228 7.574 3.576 1.00 1.85 H new ATOM 0 HD2 TYR A 108 0.643 8.743 7.685 1.00 1.97 H new ATOM 0 HE1 TYR A 108 3.258 9.003 3.460 1.00 1.83 H new ATOM 0 HE2 TYR A 108 2.627 10.232 7.549 1.00 2.02 H new ATOM 0 HH TYR A 108 4.291 10.983 6.297 1.00 1.15 H new ATOM 260 N VAL A 109 1.292 4.904 4.226 1.00 0.84 N ATOM 261 CA VAL A 109 2.424 4.537 3.355 1.00 0.82 C ATOM 262 C VAL A 109 2.561 5.518 2.200 1.00 0.66 C ATOM 263 O VAL A 109 1.543 6.009 1.724 1.00 0.61 O ATOM 264 CB VAL A 109 2.229 3.123 2.766 1.00 0.94 C ATOM 265 CG1 VAL A 109 0.906 2.895 2.029 1.00 0.91 C ATOM 266 CG2 VAL A 109 3.384 2.716 1.843 1.00 1.08 C ATOM 0 H VAL A 109 0.408 4.909 3.717 1.00 0.84 H new ATOM 0 HA VAL A 109 3.323 4.562 3.970 1.00 0.82 H new ATOM 0 HB VAL A 109 2.209 2.489 3.653 1.00 0.94 H new ATOM 0 HG11 VAL A 109 0.870 1.872 1.655 1.00 0.91 H new ATOM 0 HG12 VAL A 109 0.075 3.061 2.714 1.00 0.91 H new ATOM 0 HG13 VAL A 109 0.831 3.590 1.193 1.00 0.91 H new ATOM 0 HG21 VAL A 109 3.202 1.715 1.453 1.00 1.08 H new ATOM 0 HG22 VAL A 109 3.454 3.421 1.015 1.00 1.08 H new ATOM 0 HG23 VAL A 109 4.318 2.723 2.405 1.00 1.08 H new ATOM 276 N GLY A 110 3.785 5.745 1.711 1.00 0.68 N ATOM 277 CA GLY A 110 4.020 6.251 0.357 1.00 0.67 C ATOM 278 C GLY A 110 4.822 5.283 -0.507 1.00 0.66 C ATOM 279 O GLY A 110 5.960 4.975 -0.157 1.00 0.76 O ATOM 0 H GLY A 110 4.640 5.583 2.244 1.00 0.68 H new ATOM 0 HA2 GLY A 110 3.062 6.450 -0.123 1.00 0.67 H new ATOM 0 HA3 GLY A 110 4.550 7.202 0.417 1.00 0.67 H new ATOM 283 N CYS A 111 4.264 4.861 -1.650 1.00 0.72 N ATOM 284 CA CYS A 111 4.975 4.116 -2.684 1.00 0.81 C ATOM 285 C CYS A 111 5.121 4.883 -4.007 1.00 0.76 C ATOM 286 O CYS A 111 4.276 5.691 -4.420 1.00 0.75 O ATOM 287 CB CYS A 111 4.303 2.748 -2.868 1.00 1.07 C ATOM 288 SG CYS A 111 2.682 2.661 -3.749 1.00 0.84 S ATOM 0 H CYS A 111 3.286 5.034 -1.881 1.00 0.72 H new ATOM 0 HA CYS A 111 6.001 3.969 -2.347 1.00 0.81 H new ATOM 0 HB2 CYS A 111 5.003 2.106 -3.402 1.00 1.07 H new ATOM 0 HB3 CYS A 111 4.164 2.313 -1.878 1.00 1.07 H new ATOM 0 HG CYS A 111 2.042 3.782 -3.592 1.00 0.84 H new ATOM 293 N THR A 112 6.197 4.519 -4.712 1.00 0.81 N ATOM 294 CA THR A 112 6.467 4.929 -6.089 1.00 0.80 C ATOM 295 C THR A 112 6.261 3.782 -7.066 1.00 0.70 C ATOM 296 O THR A 112 7.037 3.584 -7.999 1.00 1.00 O ATOM 297 CB THR A 112 7.841 5.579 -6.218 1.00 0.91 C ATOM 298 OG1 THR A 112 8.805 4.677 -5.724 1.00 1.00 O ATOM 299 CG2 THR A 112 7.867 6.859 -5.390 1.00 0.94 C ATOM 0 H THR A 112 6.923 3.914 -4.328 1.00 0.81 H new ATOM 0 HA THR A 112 5.738 5.693 -6.359 1.00 0.80 H new ATOM 0 HB THR A 112 8.054 5.820 -7.259 1.00 0.91 H new ATOM 0 HG1 THR A 112 9.696 5.077 -5.800 1.00 1.00 H new ATOM 0 HG21 THR A 112 8.847 7.329 -5.478 1.00 0.94 H new ATOM 0 HG22 THR A 112 7.102 7.544 -5.755 1.00 0.94 H new ATOM 0 HG23 THR A 112 7.671 6.620 -4.345 1.00 0.94 H new ATOM 307 N GLY A 113 5.228 2.980 -6.817 1.00 0.60 N ATOM 308 CA GLY A 113 4.917 1.804 -7.626 1.00 0.62 C ATOM 309 C GLY A 113 5.425 0.500 -7.039 1.00 0.95 C ATOM 310 O GLY A 113 5.584 -0.461 -7.784 1.00 1.81 O ATOM 0 H GLY A 113 4.580 3.129 -6.044 1.00 0.60 H new ATOM 0 HA2 GLY A 113 3.836 1.737 -7.752 1.00 0.62 H new ATOM 0 HA3 GLY A 113 5.346 1.935 -8.619 1.00 0.62 H new ATOM 314 N SER A 114 5.656 0.472 -5.721 1.00 1.41 N ATOM 315 CA SER A 114 6.632 -0.377 -4.995 1.00 1.88 C ATOM 316 C SER A 114 8.003 0.350 -4.910 1.00 1.63 C ATOM 317 O SER A 114 8.149 1.413 -5.523 1.00 1.51 O ATOM 318 CB SER A 114 6.751 -1.788 -5.621 1.00 2.54 C ATOM 319 OG SER A 114 7.695 -1.831 -6.671 1.00 2.68 O ATOM 0 H SER A 114 5.137 1.077 -5.085 1.00 1.41 H new ATOM 0 HA SER A 114 6.268 -0.533 -3.980 1.00 1.88 H new ATOM 0 HB2 SER A 114 7.037 -2.503 -4.849 1.00 2.54 H new ATOM 0 HB3 SER A 114 5.777 -2.099 -5.998 1.00 2.54 H new ATOM 0 HG SER A 114 7.329 -1.377 -7.458 1.00 2.68 H new ATOM 325 N PRO A 115 9.020 -0.197 -4.202 1.00 1.92 N ATOM 326 CA PRO A 115 10.406 0.279 -4.292 1.00 1.72 C ATOM 327 C PRO A 115 11.027 0.180 -5.694 1.00 1.63 C ATOM 328 O PRO A 115 12.009 0.866 -5.958 1.00 1.99 O ATOM 329 CB PRO A 115 11.218 -0.574 -3.307 1.00 2.28 C ATOM 330 CG PRO A 115 10.343 -1.796 -3.050 1.00 2.90 C ATOM 331 CD PRO A 115 8.936 -1.228 -3.174 1.00 2.82 C ATOM 0 HA PRO A 115 10.418 1.343 -4.056 1.00 1.72 H new ATOM 0 HB2 PRO A 115 12.182 -0.858 -3.729 1.00 2.28 H new ATOM 0 HB3 PRO A 115 11.421 -0.030 -2.385 1.00 2.28 H new ATOM 0 HG2 PRO A 115 10.527 -2.587 -3.778 1.00 2.90 H new ATOM 0 HG3 PRO A 115 10.522 -2.223 -2.063 1.00 2.90 H new ATOM 0 HD2 PRO A 115 8.223 -2.004 -3.454 1.00 2.82 H new ATOM 0 HD3 PRO A 115 8.597 -0.810 -2.226 1.00 2.82 H new ATOM 339 N ALA A 116 10.490 -0.649 -6.597 1.00 2.09 N ATOM 340 CA ALA A 116 10.988 -0.781 -7.965 1.00 2.70 C ATOM 341 C ALA A 116 10.398 0.287 -8.909 1.00 2.74 C ATOM 342 O ALA A 116 9.818 -0.042 -9.945 1.00 3.76 O ATOM 343 CB ALA A 116 10.759 -2.222 -8.426 1.00 3.36 C ATOM 0 H ALA A 116 9.692 -1.250 -6.394 1.00 2.09 H new ATOM 0 HA ALA A 116 12.060 -0.586 -7.993 1.00 2.70 H new ATOM 0 HB1 ALA A 116 11.125 -2.340 -9.446 1.00 3.36 H new ATOM 0 HB2 ALA A 116 11.295 -2.904 -7.767 1.00 3.36 H new ATOM 0 HB3 ALA A 116 9.693 -2.449 -8.394 1.00 3.36 H new ATOM 349 N GLY A 117 10.518 1.562 -8.505 1.00 1.93 N ATOM 350 CA GLY A 117 10.544 2.750 -9.374 1.00 2.12 C ATOM 351 C GLY A 117 9.603 2.722 -10.574 1.00 1.95 C ATOM 352 O GLY A 117 10.068 2.776 -11.708 1.00 2.64 O ATOM 0 H GLY A 117 10.604 1.804 -7.518 1.00 1.93 H new ATOM 0 HA2 GLY A 117 10.303 3.624 -8.769 1.00 2.12 H new ATOM 0 HA3 GLY A 117 11.562 2.886 -9.739 1.00 2.12 H new ATOM 356 N SER A 118 8.302 2.588 -10.333 1.00 1.23 N ATOM 357 CA SER A 118 7.324 2.250 -11.378 1.00 1.17 C ATOM 358 C SER A 118 6.291 3.352 -11.669 1.00 1.06 C ATOM 359 O SER A 118 5.697 3.346 -12.741 1.00 1.46 O ATOM 360 CB SER A 118 6.617 0.940 -11.007 1.00 1.15 C ATOM 361 OG SER A 118 7.431 -0.188 -11.270 1.00 1.78 O ATOM 0 H SER A 118 7.889 2.710 -9.408 1.00 1.23 H new ATOM 0 HA SER A 118 7.890 2.138 -12.303 1.00 1.17 H new ATOM 0 HB2 SER A 118 6.350 0.957 -9.950 1.00 1.15 H new ATOM 0 HB3 SER A 118 5.687 0.857 -11.569 1.00 1.15 H new ATOM 0 HG SER A 118 8.277 -0.102 -10.782 1.00 1.78 H new ATOM 367 N HIS A 119 6.064 4.321 -10.773 1.00 0.81 N ATOM 368 CA HIS A 119 5.233 5.499 -11.060 1.00 0.81 C ATOM 369 C HIS A 119 5.678 6.785 -10.318 1.00 0.95 C ATOM 370 O HIS A 119 6.831 6.890 -9.903 1.00 1.72 O ATOM 371 CB HIS A 119 3.764 5.091 -10.861 1.00 0.70 C ATOM 372 CG HIS A 119 3.316 4.895 -9.431 1.00 0.54 C ATOM 373 ND1 HIS A 119 3.176 5.857 -8.493 1.00 0.61 N ATOM 374 CD2 HIS A 119 2.881 3.725 -8.899 1.00 0.46 C ATOM 375 CE1 HIS A 119 2.739 5.326 -7.361 1.00 0.51 C ATOM 376 NE2 HIS A 119 2.513 4.018 -7.566 1.00 0.42 N ATOM 0 H HIS A 119 6.451 4.311 -9.829 1.00 0.81 H new ATOM 0 HA HIS A 119 5.366 5.805 -12.098 1.00 0.81 H new ATOM 0 HB2 HIS A 119 3.132 5.853 -11.317 1.00 0.70 H new ATOM 0 HB3 HIS A 119 3.589 4.163 -11.406 1.00 0.70 H new ATOM 0 HD2 HIS A 119 2.827 2.766 -9.393 1.00 0.46 H new ATOM 0 HE1 HIS A 119 2.590 5.855 -6.431 1.00 0.51 H new ATOM 0 HE2 HIS A 119 2.143 3.356 -6.884 1.00 0.42 H new ATOM 384 N THR A 120 4.775 7.773 -10.159 1.00 0.74 N ATOM 385 CA THR A 120 4.954 8.959 -9.285 1.00 0.74 C ATOM 386 C THR A 120 5.005 8.558 -7.816 1.00 0.67 C ATOM 387 O THR A 120 5.113 7.389 -7.512 1.00 0.56 O ATOM 388 CB THR A 120 3.840 9.963 -9.582 1.00 0.77 C ATOM 389 OG1 THR A 120 4.195 11.224 -9.084 1.00 0.82 O ATOM 390 CG2 THR A 120 2.496 9.557 -8.990 1.00 0.77 C ATOM 0 H THR A 120 3.878 7.772 -10.645 1.00 0.74 H new ATOM 0 HA THR A 120 5.911 9.435 -9.497 1.00 0.74 H new ATOM 0 HB THR A 120 3.725 9.990 -10.666 1.00 0.77 H new ATOM 0 HG1 THR A 120 3.480 11.865 -9.278 1.00 0.82 H new ATOM 0 HG21 THR A 120 1.748 10.310 -9.236 1.00 0.77 H new ATOM 0 HG22 THR A 120 2.192 8.595 -9.403 1.00 0.77 H new ATOM 0 HG23 THR A 120 2.586 9.475 -7.907 1.00 0.77 H new ATOM 398 N ILE A 121 4.844 9.477 -6.887 1.00 0.84 N ATOM 399 CA ILE A 121 4.576 9.199 -5.473 1.00 0.80 C ATOM 400 C ILE A 121 3.094 9.434 -5.147 1.00 0.81 C ATOM 401 O ILE A 121 2.456 10.335 -5.680 1.00 0.92 O ATOM 402 CB ILE A 121 5.520 10.052 -4.614 1.00 0.87 C ATOM 403 CG1 ILE A 121 5.437 9.687 -3.122 1.00 0.93 C ATOM 404 CG2 ILE A 121 5.205 11.537 -4.762 1.00 0.90 C ATOM 405 CD1 ILE A 121 6.311 8.500 -2.763 1.00 1.10 C ATOM 0 H ILE A 121 4.896 10.475 -7.092 1.00 0.84 H new ATOM 0 HA ILE A 121 4.771 8.151 -5.248 1.00 0.80 H new ATOM 0 HB ILE A 121 6.527 9.844 -4.975 1.00 0.87 H new ATOM 0 HG12 ILE A 121 5.736 10.548 -2.524 1.00 0.93 H new ATOM 0 HG13 ILE A 121 4.402 9.463 -2.863 1.00 0.93 H new ATOM 0 HG21 ILE A 121 5.889 12.117 -4.143 1.00 0.90 H new ATOM 0 HG22 ILE A 121 5.321 11.831 -5.805 1.00 0.90 H new ATOM 0 HG23 ILE A 121 4.179 11.725 -4.444 1.00 0.90 H new ATOM 0 HD11 ILE A 121 6.214 8.286 -1.699 1.00 1.10 H new ATOM 0 HD12 ILE A 121 5.997 7.629 -3.338 1.00 1.10 H new ATOM 0 HD13 ILE A 121 7.351 8.731 -2.994 1.00 1.10 H new ATOM 417 N MET A 122 2.555 8.628 -4.247 1.00 0.74 N ATOM 418 CA MET A 122 1.186 8.708 -3.725 1.00 0.80 C ATOM 419 C MET A 122 1.132 8.170 -2.293 1.00 0.74 C ATOM 420 O MET A 122 2.139 7.639 -1.833 1.00 0.89 O ATOM 421 CB MET A 122 0.247 7.957 -4.670 1.00 1.02 C ATOM 422 CG MET A 122 0.698 6.536 -4.989 1.00 1.09 C ATOM 423 SD MET A 122 -0.113 5.249 -4.077 1.00 3.05 S ATOM 424 CE MET A 122 -1.719 5.484 -4.850 1.00 3.60 C ATOM 0 H MET A 122 3.082 7.858 -3.835 1.00 0.74 H new ATOM 0 HA MET A 122 0.858 9.746 -3.681 1.00 0.80 H new ATOM 0 HB2 MET A 122 -0.747 7.921 -4.225 1.00 1.02 H new ATOM 0 HB3 MET A 122 0.160 8.518 -5.601 1.00 1.02 H new ATOM 0 HG2 MET A 122 0.543 6.355 -6.053 1.00 1.09 H new ATOM 0 HG3 MET A 122 1.770 6.465 -4.807 1.00 1.09 H new ATOM 0 HE1 MET A 122 -2.327 4.591 -4.704 1.00 3.60 H new ATOM 0 HE2 MET A 122 -2.218 6.341 -4.398 1.00 3.60 H new ATOM 0 HE3 MET A 122 -1.587 5.662 -5.917 1.00 3.60 H new ATOM 434 N TRP A 123 -0.005 8.297 -1.594 1.00 0.70 N ATOM 435 CA TRP A 123 -0.075 8.011 -0.149 1.00 0.82 C ATOM 436 C TRP A 123 -1.351 7.260 0.261 1.00 0.75 C ATOM 437 O TRP A 123 -2.451 7.703 -0.075 1.00 0.88 O ATOM 438 CB TRP A 123 0.064 9.307 0.675 1.00 1.02 C ATOM 439 CG TRP A 123 0.988 10.361 0.143 1.00 1.11 C ATOM 440 CD1 TRP A 123 0.607 11.471 -0.528 1.00 1.32 C ATOM 441 CD2 TRP A 123 2.445 10.438 0.235 1.00 1.27 C ATOM 442 NE1 TRP A 123 1.719 12.218 -0.861 1.00 1.42 N ATOM 443 CE2 TRP A 123 2.881 11.638 -0.400 1.00 1.32 C ATOM 444 CE3 TRP A 123 3.439 9.617 0.803 1.00 1.62 C ATOM 445 CZ2 TRP A 123 4.232 12.012 -0.453 1.00 1.48 C ATOM 446 CZ3 TRP A 123 4.799 9.982 0.763 1.00 1.90 C ATOM 447 CH2 TRP A 123 5.196 11.179 0.140 1.00 1.75 C ATOM 0 H TRP A 123 -0.890 8.596 -2.004 1.00 0.70 H new ATOM 0 HA TRP A 123 0.764 7.350 0.067 1.00 0.82 H new ATOM 0 HB2 TRP A 123 -0.927 9.748 0.780 1.00 1.02 H new ATOM 0 HB3 TRP A 123 0.400 9.037 1.676 1.00 1.02 H new ATOM 0 HD1 TRP A 123 -0.413 11.734 -0.767 1.00 1.32 H new ATOM 0 HE1 TRP A 123 1.685 13.093 -1.385 1.00 1.42 H new ATOM 0 HE3 TRP A 123 3.153 8.690 1.278 1.00 1.62 H new ATOM 0 HZ2 TRP A 123 4.527 12.928 -0.943 1.00 1.48 H new ATOM 0 HZ3 TRP A 123 5.541 9.339 1.213 1.00 1.90 H new ATOM 0 HH2 TRP A 123 6.239 11.457 0.117 1.00 1.75 H new ATOM 458 N LEU A 124 -1.227 6.144 1.002 1.00 0.67 N ATOM 459 CA LEU A 124 -2.344 5.236 1.317 1.00 0.69 C ATOM 460 C LEU A 124 -2.459 5.020 2.822 1.00 0.71 C ATOM 461 O LEU A 124 -1.455 5.078 3.528 1.00 0.82 O ATOM 462 CB LEU A 124 -2.157 3.864 0.636 1.00 0.75 C ATOM 463 CG LEU A 124 -1.493 3.904 -0.749 1.00 0.70 C ATOM 464 CD1 LEU A 124 -1.175 2.493 -1.234 1.00 0.75 C ATOM 465 CD2 LEU A 124 -2.421 4.580 -1.754 1.00 0.69 C ATOM 0 H LEU A 124 -0.338 5.844 1.403 1.00 0.67 H new ATOM 0 HA LEU A 124 -3.253 5.705 0.941 1.00 0.69 H new ATOM 0 HB2 LEU A 124 -1.558 3.231 1.290 1.00 0.75 H new ATOM 0 HB3 LEU A 124 -3.133 3.389 0.539 1.00 0.75 H new ATOM 0 HG LEU A 124 -0.565 4.470 -0.665 1.00 0.70 H new ATOM 0 HD11 LEU A 124 -0.705 2.543 -2.216 1.00 0.75 H new ATOM 0 HD12 LEU A 124 -0.495 2.011 -0.531 1.00 0.75 H new ATOM 0 HD13 LEU A 124 -2.097 1.915 -1.302 1.00 0.75 H new ATOM 0 HD21 LEU A 124 -1.942 4.604 -2.733 1.00 0.69 H new ATOM 0 HD22 LEU A 124 -3.354 4.021 -1.820 1.00 0.69 H new ATOM 0 HD23 LEU A 124 -2.630 5.599 -1.428 1.00 0.69 H new ATOM 477 N LYS A 125 -3.663 4.713 3.314 1.00 0.70 N ATOM 478 CA LYS A 125 -3.912 4.453 4.746 1.00 0.70 C ATOM 479 C LYS A 125 -4.567 3.080 4.989 1.00 0.52 C ATOM 480 O LYS A 125 -5.781 2.974 4.810 1.00 0.69 O ATOM 481 CB LYS A 125 -4.831 5.528 5.356 1.00 0.95 C ATOM 482 CG LYS A 125 -4.215 6.924 5.499 1.00 2.46 C ATOM 483 CD LYS A 125 -4.922 7.729 6.606 1.00 3.36 C ATOM 484 CE LYS A 125 -6.449 7.770 6.415 1.00 3.87 C ATOM 485 NZ LYS A 125 -7.139 8.430 7.550 1.00 5.06 N ATOM 0 H LYS A 125 -4.498 4.636 2.734 1.00 0.70 H new ATOM 0 HA LYS A 125 -2.932 4.473 5.224 1.00 0.70 H new ATOM 0 HB2 LYS A 125 -5.726 5.607 4.739 1.00 0.95 H new ATOM 0 HB3 LYS A 125 -5.152 5.190 6.341 1.00 0.95 H new ATOM 0 HG2 LYS A 125 -3.154 6.835 5.731 1.00 2.46 H new ATOM 0 HG3 LYS A 125 -4.291 7.458 4.552 1.00 2.46 H new ATOM 0 HD2 LYS A 125 -4.691 7.289 7.576 1.00 3.36 H new ATOM 0 HD3 LYS A 125 -4.532 8.747 6.617 1.00 3.36 H new ATOM 0 HE2 LYS A 125 -6.684 8.300 5.492 1.00 3.87 H new ATOM 0 HE3 LYS A 125 -6.827 6.754 6.304 1.00 3.87 H new ATOM 0 HZ1 LYS A 125 -8.165 8.434 7.378 1.00 5.06 H new ATOM 0 HZ2 LYS A 125 -6.938 7.910 8.428 1.00 5.06 H new ATOM 0 HZ3 LYS A 125 -6.799 9.409 7.641 1.00 5.06 H new ATOM 499 N PRO A 126 -3.812 2.051 5.411 1.00 0.45 N ATOM 500 CA PRO A 126 -4.383 0.854 6.015 1.00 0.73 C ATOM 501 C PRO A 126 -4.703 1.108 7.502 1.00 1.07 C ATOM 502 O PRO A 126 -4.285 2.117 8.079 1.00 2.35 O ATOM 503 CB PRO A 126 -3.320 -0.223 5.803 1.00 0.98 C ATOM 504 CG PRO A 126 -2.021 0.573 5.942 1.00 0.83 C ATOM 505 CD PRO A 126 -2.361 1.931 5.326 1.00 0.60 C ATOM 0 HA PRO A 126 -5.332 0.551 5.572 1.00 0.73 H new ATOM 0 HB2 PRO A 126 -3.392 -1.018 6.546 1.00 0.98 H new ATOM 0 HB3 PRO A 126 -3.407 -0.693 4.823 1.00 0.98 H new ATOM 0 HG2 PRO A 126 -1.721 0.670 6.985 1.00 0.83 H new ATOM 0 HG3 PRO A 126 -1.197 0.090 5.417 1.00 0.83 H new ATOM 0 HD2 PRO A 126 -1.869 2.740 5.866 1.00 0.60 H new ATOM 0 HD3 PRO A 126 -2.023 1.987 4.291 1.00 0.60 H new ATOM 513 N THR A 127 -5.427 0.161 8.107 1.00 0.72 N ATOM 514 CA THR A 127 -5.863 0.143 9.517 1.00 0.76 C ATOM 515 C THR A 127 -5.358 -1.151 10.147 1.00 0.65 C ATOM 516 O THR A 127 -5.196 -2.138 9.439 1.00 0.56 O ATOM 517 CB THR A 127 -7.400 0.136 9.633 1.00 0.93 C ATOM 518 OG1 THR A 127 -8.026 0.973 8.695 1.00 1.26 O ATOM 519 CG2 THR A 127 -7.947 0.534 11.001 1.00 1.07 C ATOM 0 H THR A 127 -5.746 -0.665 7.600 1.00 0.72 H new ATOM 0 HA THR A 127 -5.471 1.032 10.011 1.00 0.76 H new ATOM 0 HB THR A 127 -7.635 -0.912 9.447 1.00 0.93 H new ATOM 0 HG1 THR A 127 -8.991 0.805 8.700 1.00 1.26 H new ATOM 0 HG21 THR A 127 -9.036 0.498 10.982 1.00 1.07 H new ATOM 0 HG22 THR A 127 -7.575 -0.157 11.757 1.00 1.07 H new ATOM 0 HG23 THR A 127 -7.621 1.546 11.243 1.00 1.07 H new ATOM 527 N VAL A 128 -5.182 -1.226 11.462 1.00 0.77 N ATOM 528 CA VAL A 128 -4.754 -2.465 12.157 1.00 0.76 C ATOM 529 C VAL A 128 -5.596 -3.702 11.799 1.00 0.59 C ATOM 530 O VAL A 128 -5.051 -4.792 11.622 1.00 0.64 O ATOM 531 CB VAL A 128 -4.665 -2.242 13.680 1.00 0.97 C ATOM 532 CG1 VAL A 128 -6.051 -2.006 14.276 1.00 1.06 C ATOM 533 CG2 VAL A 128 -3.928 -3.399 14.371 1.00 0.98 C ATOM 0 H VAL A 128 -5.329 -0.435 12.089 1.00 0.77 H new ATOM 0 HA VAL A 128 -3.753 -2.691 11.788 1.00 0.76 H new ATOM 0 HB VAL A 128 -4.077 -1.342 13.859 1.00 0.97 H new ATOM 0 HG11 VAL A 128 -5.963 -1.851 15.351 1.00 1.06 H new ATOM 0 HG12 VAL A 128 -6.499 -1.124 13.818 1.00 1.06 H new ATOM 0 HG13 VAL A 128 -6.682 -2.874 14.085 1.00 1.06 H new ATOM 0 HG21 VAL A 128 -3.882 -3.212 15.444 1.00 0.98 H new ATOM 0 HG22 VAL A 128 -4.462 -4.331 14.188 1.00 0.98 H new ATOM 0 HG23 VAL A 128 -2.916 -3.476 13.972 1.00 0.98 H new ATOM 543 N ASN A 129 -6.903 -3.521 11.588 1.00 0.66 N ATOM 544 CA ASN A 129 -7.827 -4.579 11.172 1.00 0.85 C ATOM 545 C ASN A 129 -7.953 -4.742 9.647 1.00 0.79 C ATOM 546 O ASN A 129 -8.687 -5.619 9.201 1.00 1.02 O ATOM 547 CB ASN A 129 -9.184 -4.327 11.848 1.00 1.27 C ATOM 548 CG ASN A 129 -9.066 -4.508 13.356 1.00 1.44 C ATOM 549 OD1 ASN A 129 -8.766 -5.588 13.838 1.00 1.71 O ATOM 550 ND2 ASN A 129 -9.246 -3.460 14.139 1.00 1.72 N ATOM 0 H ASN A 129 -7.357 -2.615 11.704 1.00 0.66 H new ATOM 0 HA ASN A 129 -7.418 -5.535 11.499 1.00 0.85 H new ATOM 0 HB2 ASN A 129 -9.529 -3.318 11.622 1.00 1.27 H new ATOM 0 HB3 ASN A 129 -9.930 -5.015 11.450 1.00 1.27 H new ATOM 0 HD21 ASN A 129 -9.134 -3.553 15.149 1.00 1.72 H new ATOM 0 HD22 ASN A 129 -9.497 -2.558 13.734 1.00 1.72 H new ATOM 557 N GLU A 130 -7.267 -3.914 8.847 1.00 0.56 N ATOM 558 CA GLU A 130 -7.633 -3.670 7.449 1.00 0.54 C ATOM 559 C GLU A 130 -6.440 -3.453 6.508 1.00 0.37 C ATOM 560 O GLU A 130 -5.277 -3.414 6.898 1.00 0.78 O ATOM 561 CB GLU A 130 -8.569 -2.452 7.345 1.00 0.78 C ATOM 562 CG GLU A 130 -9.684 -2.447 8.391 1.00 0.98 C ATOM 563 CD GLU A 130 -10.619 -1.277 8.131 1.00 1.39 C ATOM 564 OE1 GLU A 130 -11.476 -1.421 7.237 1.00 2.70 O ATOM 565 OE2 GLU A 130 -10.401 -0.231 8.783 1.00 2.22 O ATOM 0 H GLU A 130 -6.443 -3.396 9.153 1.00 0.56 H new ATOM 0 HA GLU A 130 -8.132 -4.583 7.123 1.00 0.54 H new ATOM 0 HB2 GLU A 130 -7.980 -1.541 7.450 1.00 0.78 H new ATOM 0 HB3 GLU A 130 -9.015 -2.431 6.351 1.00 0.78 H new ATOM 0 HG2 GLU A 130 -10.238 -3.385 8.351 1.00 0.98 H new ATOM 0 HG3 GLU A 130 -9.258 -2.370 9.391 1.00 0.98 H new ATOM 572 N VAL A 131 -6.776 -3.310 5.232 1.00 0.44 N ATOM 573 CA VAL A 131 -5.901 -3.244 4.066 1.00 0.42 C ATOM 574 C VAL A 131 -6.191 -1.958 3.274 1.00 0.45 C ATOM 575 O VAL A 131 -7.318 -1.466 3.301 1.00 0.58 O ATOM 576 CB VAL A 131 -6.141 -4.457 3.156 1.00 0.41 C ATOM 577 CG1 VAL A 131 -5.672 -5.739 3.827 1.00 0.44 C ATOM 578 CG2 VAL A 131 -7.591 -4.617 2.685 1.00 0.46 C ATOM 0 H VAL A 131 -7.756 -3.230 4.962 1.00 0.44 H new ATOM 0 HA VAL A 131 -4.865 -3.245 4.405 1.00 0.42 H new ATOM 0 HB VAL A 131 -5.549 -4.264 2.262 1.00 0.41 H new ATOM 0 HG11 VAL A 131 -5.853 -6.584 3.163 1.00 0.44 H new ATOM 0 HG12 VAL A 131 -4.606 -5.668 4.042 1.00 0.44 H new ATOM 0 HG13 VAL A 131 -6.221 -5.885 4.757 1.00 0.44 H new ATOM 0 HG21 VAL A 131 -7.671 -5.498 2.048 1.00 0.46 H new ATOM 0 HG22 VAL A 131 -8.244 -4.734 3.550 1.00 0.46 H new ATOM 0 HG23 VAL A 131 -7.890 -3.733 2.122 1.00 0.46 H new ATOM 588 N ALA A 132 -5.215 -1.450 2.516 1.00 0.42 N ATOM 589 CA ALA A 132 -5.379 -0.321 1.597 1.00 0.47 C ATOM 590 C ALA A 132 -4.754 -0.638 0.233 1.00 0.46 C ATOM 591 O ALA A 132 -3.671 -1.211 0.184 1.00 0.48 O ATOM 592 CB ALA A 132 -4.727 0.911 2.225 1.00 0.60 C ATOM 0 H ALA A 132 -4.265 -1.822 2.525 1.00 0.42 H new ATOM 0 HA ALA A 132 -6.439 -0.129 1.430 1.00 0.47 H new ATOM 0 HB1 ALA A 132 -4.839 1.763 1.555 1.00 0.60 H new ATOM 0 HB2 ALA A 132 -5.209 1.132 3.177 1.00 0.60 H new ATOM 0 HB3 ALA A 132 -3.667 0.717 2.391 1.00 0.60 H new ATOM 598 N ARG A 133 -5.407 -0.254 -0.870 1.00 0.50 N ATOM 599 CA ARG A 133 -4.878 -0.462 -2.224 1.00 0.50 C ATOM 600 C ARG A 133 -4.510 0.855 -2.893 1.00 0.46 C ATOM 601 O ARG A 133 -5.236 1.840 -2.754 1.00 0.51 O ATOM 602 CB ARG A 133 -5.876 -1.235 -3.098 1.00 0.62 C ATOM 603 CG ARG A 133 -5.185 -1.802 -4.356 1.00 0.68 C ATOM 604 CD ARG A 133 -6.036 -2.742 -5.216 1.00 1.34 C ATOM 605 NE ARG A 133 -7.392 -2.210 -5.454 1.00 1.61 N ATOM 606 CZ ARG A 133 -8.486 -2.520 -4.768 1.00 3.21 C ATOM 607 NH1 ARG A 133 -8.457 -3.427 -3.809 1.00 4.64 N ATOM 608 NH2 ARG A 133 -9.623 -1.912 -5.037 1.00 4.11 N ATOM 0 H ARG A 133 -6.316 0.209 -0.850 1.00 0.50 H new ATOM 0 HA ARG A 133 -3.970 -1.057 -2.122 1.00 0.50 H new ATOM 0 HB2 ARG A 133 -6.315 -2.049 -2.522 1.00 0.62 H new ATOM 0 HB3 ARG A 133 -6.693 -0.576 -3.393 1.00 0.62 H new ATOM 0 HG2 ARG A 133 -4.859 -0.967 -4.976 1.00 0.68 H new ATOM 0 HG3 ARG A 133 -4.288 -2.337 -4.045 1.00 0.68 H new ATOM 0 HD2 ARG A 133 -5.539 -2.905 -6.172 1.00 1.34 H new ATOM 0 HD3 ARG A 133 -6.110 -3.713 -4.725 1.00 1.34 H new ATOM 0 HE ARG A 133 -7.499 -1.542 -6.217 1.00 1.61 H new ATOM 0 HH11 ARG A 133 -7.584 -3.903 -3.584 1.00 4.64 H new ATOM 0 HH12 ARG A 133 -9.308 -3.651 -3.293 1.00 4.64 H new ATOM 0 HH21 ARG A 133 -9.662 -1.205 -5.771 1.00 4.11 H new ATOM 0 HH22 ARG A 133 -10.465 -2.148 -4.511 1.00 4.11 H new ATOM 622 N CYS A 134 -3.423 0.821 -3.656 1.00 0.46 N ATOM 623 CA CYS A 134 -3.049 1.862 -4.580 1.00 0.47 C ATOM 624 C CYS A 134 -4.101 2.108 -5.689 1.00 0.55 C ATOM 625 O CYS A 134 -4.919 1.251 -6.036 1.00 0.98 O ATOM 626 CB CYS A 134 -1.654 1.455 -5.063 1.00 0.48 C ATOM 627 SG CYS A 134 -0.783 2.587 -6.178 1.00 0.63 S ATOM 0 H CYS A 134 -2.765 0.042 -3.641 1.00 0.46 H new ATOM 0 HA CYS A 134 -3.016 2.848 -4.116 1.00 0.47 H new ATOM 0 HB2 CYS A 134 -1.027 1.301 -4.185 1.00 0.48 H new ATOM 0 HB3 CYS A 134 -1.741 0.491 -5.565 1.00 0.48 H new ATOM 0 HG CYS A 134 -0.270 3.564 -5.491 1.00 0.63 H new ATOM 632 N TRP A 135 -4.043 3.311 -6.254 1.00 0.59 N ATOM 633 CA TRP A 135 -4.753 3.701 -7.470 1.00 0.66 C ATOM 634 C TRP A 135 -3.805 3.844 -8.671 1.00 0.68 C ATOM 635 O TRP A 135 -4.283 3.915 -9.797 1.00 0.83 O ATOM 636 CB TRP A 135 -5.523 5.001 -7.192 1.00 0.72 C ATOM 637 CG TRP A 135 -4.708 6.248 -7.001 1.00 0.75 C ATOM 638 CD1 TRP A 135 -4.321 6.774 -5.817 1.00 0.79 C ATOM 639 CD2 TRP A 135 -4.157 7.140 -8.022 1.00 0.91 C ATOM 640 NE1 TRP A 135 -3.609 7.938 -6.032 1.00 0.96 N ATOM 641 CE2 TRP A 135 -3.455 8.200 -7.376 1.00 1.02 C ATOM 642 CE3 TRP A 135 -4.161 7.145 -9.432 1.00 1.06 C ATOM 643 CZ2 TRP A 135 -2.796 9.213 -8.088 1.00 1.23 C ATOM 644 CZ3 TRP A 135 -3.472 8.135 -10.155 1.00 1.25 C ATOM 645 CH2 TRP A 135 -2.800 9.178 -9.492 1.00 1.33 C ATOM 0 H TRP A 135 -3.481 4.068 -5.865 1.00 0.59 H new ATOM 0 HA TRP A 135 -5.457 2.914 -7.741 1.00 0.66 H new ATOM 0 HB2 TRP A 135 -6.212 5.170 -8.019 1.00 0.72 H new ATOM 0 HB3 TRP A 135 -6.128 4.852 -6.298 1.00 0.72 H new ATOM 0 HD1 TRP A 135 -4.536 6.348 -4.848 1.00 0.79 H new ATOM 0 HE1 TRP A 135 -3.242 8.531 -5.287 1.00 0.96 H new ATOM 0 HE3 TRP A 135 -4.702 6.377 -9.965 1.00 1.06 H new ATOM 0 HZ2 TRP A 135 -2.291 10.010 -7.563 1.00 1.23 H new ATOM 0 HZ3 TRP A 135 -3.459 8.094 -11.234 1.00 1.25 H new ATOM 0 HH2 TRP A 135 -2.292 9.945 -10.058 1.00 1.33 H new ATOM 656 N GLU A 136 -2.487 3.898 -8.443 1.00 0.60 N ATOM 657 CA GLU A 136 -1.473 4.120 -9.471 1.00 0.62 C ATOM 658 C GLU A 136 -0.962 2.769 -10.024 1.00 0.71 C ATOM 659 O GLU A 136 -1.243 2.440 -11.173 1.00 1.12 O ATOM 660 CB GLU A 136 -0.331 4.931 -8.837 1.00 0.55 C ATOM 661 CG GLU A 136 -0.183 6.375 -9.306 1.00 0.77 C ATOM 662 CD GLU A 136 0.654 6.468 -10.587 1.00 1.09 C ATOM 663 OE1 GLU A 136 0.561 5.564 -11.440 1.00 1.68 O ATOM 664 OE2 GLU A 136 1.492 7.387 -10.743 1.00 1.69 O ATOM 0 H GLU A 136 -2.089 3.785 -7.511 1.00 0.60 H new ATOM 0 HA GLU A 136 -1.893 4.672 -10.312 1.00 0.62 H new ATOM 0 HB2 GLU A 136 -0.474 4.936 -7.756 1.00 0.55 H new ATOM 0 HB3 GLU A 136 0.607 4.411 -9.032 1.00 0.55 H new ATOM 0 HG2 GLU A 136 -1.169 6.804 -9.483 1.00 0.77 H new ATOM 0 HG3 GLU A 136 0.286 6.967 -8.520 1.00 0.77 H new ATOM 671 N CYS A 137 -0.245 1.988 -9.193 1.00 0.57 N ATOM 672 CA CYS A 137 0.203 0.623 -9.459 1.00 0.62 C ATOM 673 C CYS A 137 -0.789 -0.473 -8.986 1.00 0.69 C ATOM 674 O CYS A 137 -0.580 -1.652 -9.275 1.00 1.08 O ATOM 675 CB CYS A 137 1.568 0.401 -8.782 1.00 0.60 C ATOM 676 SG CYS A 137 1.626 0.631 -6.964 1.00 0.59 S ATOM 0 H CYS A 137 0.048 2.317 -8.273 1.00 0.57 H new ATOM 0 HA CYS A 137 0.272 0.525 -10.542 1.00 0.62 H new ATOM 0 HB2 CYS A 137 1.901 -0.612 -9.009 1.00 0.60 H new ATOM 0 HB3 CYS A 137 2.288 1.082 -9.235 1.00 0.60 H new ATOM 0 HG CYS A 137 0.717 1.488 -6.606 1.00 0.59 H new ATOM 681 N GLY A 138 -1.796 -0.129 -8.176 1.00 0.51 N ATOM 682 CA GLY A 138 -2.823 -1.070 -7.715 1.00 0.53 C ATOM 683 C GLY A 138 -2.342 -2.123 -6.712 1.00 0.56 C ATOM 684 O GLY A 138 -3.076 -3.076 -6.454 1.00 0.73 O ATOM 0 H GLY A 138 -1.922 0.818 -7.819 1.00 0.51 H new ATOM 0 HA2 GLY A 138 -3.635 -0.502 -7.260 1.00 0.53 H new ATOM 0 HA3 GLY A 138 -3.239 -1.582 -8.583 1.00 0.53 H new ATOM 688 N SER A 139 -1.147 -2.010 -6.117 1.00 0.49 N ATOM 689 CA SER A 139 -0.761 -2.957 -5.065 1.00 0.50 C ATOM 690 C SER A 139 -1.517 -2.687 -3.769 1.00 0.50 C ATOM 691 O SER A 139 -1.609 -1.542 -3.340 1.00 0.71 O ATOM 692 CB SER A 139 0.759 -3.044 -4.811 1.00 0.66 C ATOM 693 OG SER A 139 1.457 -1.832 -4.770 1.00 1.55 O ATOM 0 H SER A 139 -0.452 -1.297 -6.337 1.00 0.49 H new ATOM 0 HA SER A 139 -1.050 -3.937 -5.446 1.00 0.50 H new ATOM 0 HB2 SER A 139 0.917 -3.561 -3.864 1.00 0.66 H new ATOM 0 HB3 SER A 139 1.200 -3.665 -5.591 1.00 0.66 H new ATOM 0 HG SER A 139 1.684 -1.616 -3.841 1.00 1.55 H new ATOM 699 N VAL A 140 -2.034 -3.738 -3.126 1.00 0.45 N ATOM 700 CA VAL A 140 -2.503 -3.648 -1.742 1.00 0.49 C ATOM 701 C VAL A 140 -1.304 -3.624 -0.784 1.00 0.52 C ATOM 702 O VAL A 140 -0.257 -4.198 -1.077 1.00 0.67 O ATOM 703 CB VAL A 140 -3.500 -4.777 -1.398 1.00 0.57 C ATOM 704 CG1 VAL A 140 -4.079 -4.694 0.022 1.00 0.66 C ATOM 705 CG2 VAL A 140 -4.711 -4.800 -2.353 1.00 0.61 C ATOM 0 H VAL A 140 -2.138 -4.663 -3.544 1.00 0.45 H new ATOM 0 HA VAL A 140 -3.052 -2.714 -1.623 1.00 0.49 H new ATOM 0 HB VAL A 140 -2.895 -5.678 -1.495 1.00 0.57 H new ATOM 0 HG11 VAL A 140 -4.769 -5.522 0.183 1.00 0.66 H new ATOM 0 HG12 VAL A 140 -3.269 -4.750 0.749 1.00 0.66 H new ATOM 0 HG13 VAL A 140 -4.611 -3.750 0.144 1.00 0.66 H new ATOM 0 HG21 VAL A 140 -5.382 -5.611 -2.070 1.00 0.61 H new ATOM 0 HG22 VAL A 140 -5.242 -3.850 -2.290 1.00 0.61 H new ATOM 0 HG23 VAL A 140 -4.365 -4.955 -3.375 1.00 0.61 H new ATOM 715 N TYR A 141 -1.497 -2.955 0.351 1.00 0.47 N ATOM 716 CA TYR A 141 -0.597 -2.715 1.474 1.00 0.46 C ATOM 717 C TYR A 141 -1.375 -2.870 2.779 1.00 0.44 C ATOM 718 O TYR A 141 -2.538 -2.459 2.861 1.00 0.53 O ATOM 719 CB TYR A 141 -0.093 -1.270 1.411 1.00 0.47 C ATOM 720 CG TYR A 141 0.817 -0.995 0.246 1.00 0.49 C ATOM 721 CD1 TYR A 141 0.291 -0.685 -1.023 1.00 1.78 C ATOM 722 CD2 TYR A 141 2.203 -1.089 0.438 1.00 2.20 C ATOM 723 CE1 TYR A 141 1.152 -0.493 -2.113 1.00 1.81 C ATOM 724 CE2 TYR A 141 3.074 -0.868 -0.634 1.00 2.22 C ATOM 725 CZ TYR A 141 2.551 -0.586 -1.916 1.00 0.59 C ATOM 726 OH TYR A 141 3.417 -0.415 -2.949 1.00 0.68 O ATOM 0 H TYR A 141 -2.401 -2.515 0.524 1.00 0.47 H new ATOM 0 HA TYR A 141 0.233 -3.420 1.429 1.00 0.46 H new ATOM 0 HB2 TYR A 141 -0.950 -0.598 1.357 1.00 0.47 H new ATOM 0 HB3 TYR A 141 0.436 -1.039 2.336 1.00 0.47 H new ATOM 0 HD1 TYR A 141 -0.777 -0.595 -1.157 1.00 1.78 H new ATOM 0 HD2 TYR A 141 2.598 -1.332 1.413 1.00 2.20 H new ATOM 0 HE1 TYR A 141 0.752 -0.276 -3.093 1.00 1.81 H new ATOM 0 HE2 TYR A 141 4.142 -0.913 -0.482 1.00 2.22 H new ATOM 0 HH TYR A 141 3.242 0.446 -3.384 1.00 0.68 H new ATOM 736 N LYS A 142 -0.759 -3.441 3.815 1.00 0.39 N ATOM 737 CA LYS A 142 -1.458 -3.747 5.057 1.00 0.24 C ATOM 738 C LYS A 142 -0.757 -3.192 6.295 1.00 0.36 C ATOM 739 O LYS A 142 0.465 -3.035 6.320 1.00 0.49 O ATOM 740 CB LYS A 142 -1.618 -5.271 5.152 1.00 0.36 C ATOM 741 CG LYS A 142 -2.890 -5.628 5.921 1.00 0.50 C ATOM 742 CD LYS A 142 -2.661 -6.192 7.318 1.00 0.86 C ATOM 743 CE LYS A 142 -3.833 -5.677 8.152 1.00 1.22 C ATOM 744 NZ LYS A 142 -3.794 -6.184 9.535 1.00 2.33 N ATOM 0 H LYS A 142 0.227 -3.701 3.815 1.00 0.39 H new ATOM 0 HA LYS A 142 -2.432 -3.258 5.033 1.00 0.24 H new ATOM 0 HB2 LYS A 142 -1.658 -5.702 4.151 1.00 0.36 H new ATOM 0 HB3 LYS A 142 -0.751 -5.703 5.651 1.00 0.36 H new ATOM 0 HG2 LYS A 142 -3.510 -4.735 6.003 1.00 0.50 H new ATOM 0 HG3 LYS A 142 -3.456 -6.356 5.340 1.00 0.50 H new ATOM 0 HD2 LYS A 142 -2.636 -7.282 7.304 1.00 0.86 H new ATOM 0 HD3 LYS A 142 -1.708 -5.856 7.727 1.00 0.86 H new ATOM 0 HE2 LYS A 142 -3.817 -4.587 8.165 1.00 1.22 H new ATOM 0 HE3 LYS A 142 -4.770 -5.976 7.683 1.00 1.22 H new ATOM 0 HZ1 LYS A 142 -4.525 -5.707 10.100 1.00 2.33 H new ATOM 0 HZ2 LYS A 142 -3.971 -7.209 9.534 1.00 2.33 H new ATOM 0 HZ3 LYS A 142 -2.858 -5.995 9.948 1.00 2.33 H new ATOM 758 N LEU A 143 -1.540 -2.933 7.352 1.00 0.43 N ATOM 759 CA LEU A 143 -0.979 -2.475 8.628 1.00 0.48 C ATOM 760 C LEU A 143 -0.744 -3.620 9.605 1.00 0.41 C ATOM 761 O LEU A 143 -1.612 -4.472 9.807 1.00 0.62 O ATOM 762 CB LEU A 143 -1.893 -1.433 9.284 1.00 0.70 C ATOM 763 CG LEU A 143 -1.180 -0.623 10.394 1.00 0.82 C ATOM 764 CD1 LEU A 143 -1.384 0.865 10.129 1.00 0.58 C ATOM 765 CD2 LEU A 143 -1.717 -0.957 11.788 1.00 1.15 C ATOM 0 H LEU A 143 -2.555 -3.032 7.348 1.00 0.43 H new ATOM 0 HA LEU A 143 -0.014 -2.025 8.394 1.00 0.48 H new ATOM 0 HB2 LEU A 143 -2.262 -0.748 8.521 1.00 0.70 H new ATOM 0 HB3 LEU A 143 -2.762 -1.935 9.708 1.00 0.70 H new ATOM 0 HG LEU A 143 -0.122 -0.885 10.372 1.00 0.82 H new ATOM 0 HD11 LEU A 143 -0.885 1.445 10.906 1.00 0.58 H new ATOM 0 HD12 LEU A 143 -0.963 1.123 9.157 1.00 0.58 H new ATOM 0 HD13 LEU A 143 -2.450 1.093 10.134 1.00 0.58 H new ATOM 0 HD21 LEU A 143 -1.187 -0.365 12.534 1.00 1.15 H new ATOM 0 HD22 LEU A 143 -2.782 -0.728 11.832 1.00 1.15 H new ATOM 0 HD23 LEU A 143 -1.565 -2.017 11.992 1.00 1.15 H new ATOM 777 N ASN A 144 0.394 -3.587 10.282 1.00 0.39 N ATOM 778 CA ASN A 144 0.675 -4.423 11.443 1.00 0.42 C ATOM 779 C ASN A 144 0.586 -3.540 12.716 1.00 0.64 C ATOM 780 O ASN A 144 0.823 -2.343 12.622 1.00 0.86 O ATOM 781 CB ASN A 144 2.018 -5.164 11.237 1.00 0.52 C ATOM 782 CG ASN A 144 3.228 -4.274 10.956 1.00 0.78 C ATOM 783 OD1 ASN A 144 3.103 -3.090 10.736 1.00 1.29 O ATOM 784 ND2 ASN A 144 4.427 -4.809 10.959 1.00 1.07 N ATOM 0 H ASN A 144 1.165 -2.966 10.036 1.00 0.39 H new ATOM 0 HA ASN A 144 -0.062 -5.215 11.573 1.00 0.42 H new ATOM 0 HB2 ASN A 144 2.225 -5.757 12.128 1.00 0.52 H new ATOM 0 HB3 ASN A 144 1.903 -5.863 10.408 1.00 0.52 H new ATOM 0 HD21 ASN A 144 5.245 -4.228 10.777 1.00 1.07 H new ATOM 0 HD22 ASN A 144 4.540 -5.806 11.144 1.00 1.07 H new ATOM 791 N PRO A 145 0.210 -4.059 13.903 1.00 0.95 N ATOM 792 CA PRO A 145 -0.045 -3.232 15.098 1.00 1.40 C ATOM 793 C PRO A 145 1.228 -2.599 15.682 1.00 1.53 C ATOM 794 O PRO A 145 1.193 -1.515 16.251 1.00 2.35 O ATOM 795 CB PRO A 145 -0.645 -4.204 16.123 1.00 1.80 C ATOM 796 CG PRO A 145 -0.017 -5.541 15.727 1.00 1.62 C ATOM 797 CD PRO A 145 -0.051 -5.459 14.202 1.00 1.22 C ATOM 0 HA PRO A 145 -0.697 -2.396 14.844 1.00 1.40 H new ATOM 0 HB2 PRO A 145 -0.389 -3.924 17.145 1.00 1.80 H new ATOM 0 HB3 PRO A 145 -1.733 -4.234 16.064 1.00 1.80 H new ATOM 0 HG2 PRO A 145 0.999 -5.645 16.109 1.00 1.62 H new ATOM 0 HG3 PRO A 145 -0.588 -6.389 16.104 1.00 1.62 H new ATOM 0 HD2 PRO A 145 0.702 -6.107 13.753 1.00 1.22 H new ATOM 0 HD3 PRO A 145 -1.018 -5.774 13.810 1.00 1.22 H new ATOM 805 N VAL A 146 2.340 -3.316 15.526 1.00 0.97 N ATOM 806 CA VAL A 146 3.707 -3.024 15.964 1.00 0.95 C ATOM 807 C VAL A 146 3.885 -2.545 17.420 1.00 1.31 C ATOM 808 O VAL A 146 3.022 -2.722 18.280 1.00 2.32 O ATOM 809 CB VAL A 146 4.460 -2.159 14.917 1.00 1.27 C ATOM 810 CG1 VAL A 146 4.251 -2.710 13.530 1.00 0.93 C ATOM 811 CG2 VAL A 146 4.020 -0.721 14.673 1.00 2.84 C ATOM 0 H VAL A 146 2.303 -4.211 15.038 1.00 0.97 H new ATOM 0 HA VAL A 146 4.193 -3.999 16.007 1.00 0.95 H new ATOM 0 HB VAL A 146 5.456 -2.182 15.360 1.00 1.27 H new ATOM 0 HG11 VAL A 146 4.785 -2.092 12.809 1.00 0.93 H new ATOM 0 HG12 VAL A 146 4.629 -3.731 13.483 1.00 0.93 H new ATOM 0 HG13 VAL A 146 3.187 -2.706 13.293 1.00 0.93 H new ATOM 0 HG21 VAL A 146 4.656 -0.270 13.912 1.00 2.84 H new ATOM 0 HG22 VAL A 146 2.984 -0.710 14.333 1.00 2.84 H new ATOM 0 HG23 VAL A 146 4.104 -0.153 15.599 1.00 2.84 H new ATOM 821 N GLY A 147 5.065 -1.994 17.723 1.00 1.44 N ATOM 822 CA GLY A 147 5.366 -1.262 18.947 1.00 1.80 C ATOM 823 C GLY A 147 6.799 -0.759 18.960 1.00 2.07 C ATOM 824 O GLY A 147 7.715 -1.388 18.442 1.00 2.28 O ATOM 0 H GLY A 147 5.865 -2.051 17.093 1.00 1.44 H new ATOM 0 HA2 GLY A 147 4.683 -0.418 19.044 1.00 1.80 H new ATOM 0 HA3 GLY A 147 5.199 -1.908 19.809 1.00 1.80 H new