USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 504 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 145 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 146 GLN : amide:sc= -1.94! C(o=-1.9!,f=-5.6!) USER MOD Set 2.1: A 142 SER OG : rot -26:sc= 1.33 USER MOD Set 2.2: A 151 THR OG1 : rot -139:sc= 1.3 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.0582 (180deg=-0.91) USER MOD Single : A 102 SER OG : rot 180:sc= -0.014 USER MOD Single : A 103 TYR OH : rot 165:sc= 0 USER MOD Single : A 105 THR OG1 : rot -6:sc= 0.412 USER MOD Single : A 108 ASN : amide:sc= -0.587 K(o=-0.59,f=-5.1!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 135 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-4.5!) USER MOD Single : A 139 SER OG : rot 147:sc= -0.363 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -137:sc= -6.61! (180deg=-13.1!) USER MOD Single : A 155 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-1.2) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 159 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 20.073 11.397 -15.355 1.00 0.00 N ATOM 2 CA GLU A 92 20.190 10.430 -16.478 1.00 0.00 C ATOM 3 C GLU A 92 19.728 9.040 -16.054 1.00 0.00 C ATOM 4 O GLU A 92 18.988 8.373 -16.778 1.00 0.00 O ATOM 5 CB GLU A 92 21.649 10.388 -16.936 1.00 0.00 C ATOM 6 CG GLU A 92 21.883 9.505 -18.153 1.00 0.00 C ATOM 7 CD GLU A 92 23.340 9.455 -18.569 1.00 0.00 C ATOM 8 OE1 GLU A 92 24.173 10.103 -17.900 1.00 0.00 O ATOM 9 OE2 GLU A 92 23.650 8.768 -19.565 1.00 0.00 O ATOM 0 HA GLU A 92 19.550 10.753 -17.299 1.00 0.00 H new ATOM 0 HB2 GLU A 92 21.978 11.402 -17.165 1.00 0.00 H new ATOM 0 HB3 GLU A 92 22.269 10.030 -16.114 1.00 0.00 H new ATOM 0 HG2 GLU A 92 21.537 8.495 -17.935 1.00 0.00 H new ATOM 0 HG3 GLU A 92 21.284 9.875 -18.985 1.00 0.00 H new ATOM 18 N ALA A 93 20.166 8.612 -14.872 1.00 0.00 N ATOM 19 CA ALA A 93 19.797 7.303 -14.344 1.00 0.00 C ATOM 20 C ALA A 93 20.303 7.125 -12.916 1.00 0.00 C ATOM 21 O ALA A 93 21.485 7.325 -12.635 1.00 0.00 O ATOM 22 CB ALA A 93 20.345 6.199 -15.237 1.00 0.00 C ATOM 0 H ALA A 93 20.778 9.154 -14.262 1.00 0.00 H new ATOM 0 HA ALA A 93 18.709 7.239 -14.330 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.062 5.228 -14.831 1.00 0.00 H new ATOM 0 HB2 ALA A 93 19.934 6.306 -16.241 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.432 6.271 -15.280 1.00 0.00 H new ATOM 28 N GLU A 94 19.400 6.746 -12.017 1.00 0.00 N ATOM 29 CA GLU A 94 19.751 6.536 -10.617 1.00 0.00 C ATOM 30 C GLU A 94 20.521 5.231 -10.436 1.00 0.00 C ATOM 31 O GLU A 94 20.136 4.192 -10.971 1.00 0.00 O ATOM 32 CB GLU A 94 18.491 6.529 -9.750 1.00 0.00 C ATOM 33 CG GLU A 94 17.467 5.487 -10.170 1.00 0.00 C ATOM 34 CD GLU A 94 16.225 5.506 -9.300 1.00 0.00 C ATOM 35 OE1 GLU A 94 16.162 6.342 -8.373 1.00 0.00 O ATOM 36 OE2 GLU A 94 15.314 4.688 -9.548 1.00 0.00 O ATOM 0 H GLU A 94 18.418 6.578 -12.234 1.00 0.00 H new ATOM 0 HA GLU A 94 20.394 7.358 -10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.775 6.349 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.029 7.516 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.182 5.661 -11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.922 4.497 -10.126 1.00 0.00 H new ATOM 43 N PHE A 95 21.613 5.294 -9.678 1.00 0.00 N ATOM 44 CA PHE A 95 22.439 4.117 -9.428 1.00 0.00 C ATOM 45 C PHE A 95 21.865 3.264 -8.299 1.00 0.00 C ATOM 46 O PHE A 95 22.608 2.742 -7.467 1.00 0.00 O ATOM 47 CB PHE A 95 23.875 4.531 -9.090 1.00 0.00 C ATOM 48 CG PHE A 95 24.616 5.166 -10.235 1.00 0.00 C ATOM 49 CD1 PHE A 95 24.094 6.265 -10.899 1.00 0.00 C ATOM 50 CD2 PHE A 95 25.838 4.659 -10.647 1.00 0.00 C ATOM 51 CE1 PHE A 95 24.776 6.845 -11.953 1.00 0.00 C ATOM 52 CE2 PHE A 95 26.524 5.235 -11.700 1.00 0.00 C ATOM 53 CZ PHE A 95 25.992 6.329 -12.353 1.00 0.00 C ATOM 0 H PHE A 95 21.946 6.146 -9.227 1.00 0.00 H new ATOM 0 HA PHE A 95 22.444 3.519 -10.339 1.00 0.00 H new ATOM 0 HB2 PHE A 95 23.853 5.229 -8.253 1.00 0.00 H new ATOM 0 HB3 PHE A 95 24.427 3.652 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 95 23.143 6.673 -10.590 1.00 0.00 H new ATOM 0 HD2 PHE A 95 26.259 3.804 -10.140 1.00 0.00 H new ATOM 0 HE1 PHE A 95 24.358 7.701 -12.462 1.00 0.00 H new ATOM 0 HE2 PHE A 95 27.475 4.830 -12.012 1.00 0.00 H new ATOM 0 HZ PHE A 95 26.527 6.780 -13.176 1.00 0.00 H new ATOM 63 N VAL A 96 20.542 3.119 -8.277 1.00 0.00 N ATOM 64 CA VAL A 96 19.878 2.321 -7.252 1.00 0.00 C ATOM 65 C VAL A 96 18.380 2.217 -7.522 1.00 0.00 C ATOM 66 O VAL A 96 17.705 3.224 -7.740 1.00 0.00 O ATOM 67 CB VAL A 96 20.103 2.907 -5.842 1.00 0.00 C ATOM 68 CG1 VAL A 96 19.655 4.360 -5.781 1.00 0.00 C ATOM 69 CG2 VAL A 96 19.384 2.074 -4.792 1.00 0.00 C ATOM 0 H VAL A 96 19.911 3.543 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 96 20.320 1.325 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 96 21.171 2.875 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.823 4.751 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.226 4.947 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 96 18.594 4.424 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 96 19.556 2.505 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 96 18.315 2.066 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 96 19.765 1.053 -4.814 1.00 0.00 H new ATOM 79 N ARG A 97 17.866 0.990 -7.508 1.00 0.00 N ATOM 80 CA ARG A 97 16.449 0.751 -7.752 1.00 0.00 C ATOM 81 C ARG A 97 15.603 1.252 -6.588 1.00 0.00 C ATOM 82 O ARG A 97 15.757 0.799 -5.455 1.00 0.00 O ATOM 83 CB ARG A 97 16.197 -0.741 -7.977 1.00 0.00 C ATOM 84 CG ARG A 97 14.735 -1.085 -8.211 1.00 0.00 C ATOM 85 CD ARG A 97 14.547 -2.574 -8.450 1.00 0.00 C ATOM 86 NE ARG A 97 15.256 -3.030 -9.642 1.00 0.00 N ATOM 87 CZ ARG A 97 15.311 -4.301 -10.027 1.00 0.00 C ATOM 88 NH1 ARG A 97 14.736 -5.245 -9.294 1.00 0.00 N ATOM 89 NH2 ARG A 97 15.951 -4.631 -11.141 1.00 0.00 N ATOM 0 H ARG A 97 18.411 0.146 -7.330 1.00 0.00 H new ATOM 0 HA ARG A 97 16.161 1.302 -8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.781 -1.074 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.558 -1.296 -7.111 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.144 -0.776 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.361 -0.527 -9.070 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.903 -3.128 -7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.484 -2.793 -8.554 1.00 0.00 H new ATOM 0 HE ARG A 97 15.736 -2.334 -10.212 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.250 -4.996 -8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.780 -6.220 -9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.402 -3.909 -11.703 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.993 -5.607 -11.435 1.00 0.00 H new ATOM 103 N ILE A 98 14.707 2.188 -6.879 1.00 0.00 N ATOM 104 CA ILE A 98 13.831 2.753 -5.865 1.00 0.00 C ATOM 105 C ILE A 98 12.603 1.879 -5.636 1.00 0.00 C ATOM 106 O ILE A 98 12.237 1.071 -6.490 1.00 0.00 O ATOM 107 CB ILE A 98 13.392 4.189 -6.230 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.867 4.260 -7.671 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.551 5.156 -6.037 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.526 3.587 -7.878 1.00 0.00 C ATOM 0 H ILE A 98 14.569 2.572 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 98 14.406 2.791 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 98 12.578 4.475 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.785 5.307 -7.964 1.00 0.00 H new ATOM 0 HG13 ILE A 98 13.598 3.799 -8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.230 6.165 -6.297 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.873 5.135 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.381 4.862 -6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.228 3.683 -8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.605 2.531 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.779 4.062 -7.242 1.00 0.00 H new ATOM 122 N CYS A 99 11.972 2.047 -4.478 1.00 0.00 N ATOM 123 CA CYS A 99 10.782 1.277 -4.136 1.00 0.00 C ATOM 124 C CYS A 99 9.718 1.433 -5.220 1.00 0.00 C ATOM 125 O CYS A 99 9.495 2.535 -5.724 1.00 0.00 O ATOM 126 CB CYS A 99 10.227 1.737 -2.787 1.00 0.00 C ATOM 127 SG CYS A 99 11.450 1.730 -1.437 1.00 0.00 S ATOM 0 H CYS A 99 12.265 2.710 -3.761 1.00 0.00 H new ATOM 0 HA CYS A 99 11.057 0.225 -4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.828 2.745 -2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.393 1.092 -2.510 1.00 0.00 H new ATOM 132 N SER A 100 9.072 0.327 -5.581 1.00 0.00 N ATOM 133 CA SER A 100 8.041 0.343 -6.615 1.00 0.00 C ATOM 134 C SER A 100 7.044 1.476 -6.384 1.00 0.00 C ATOM 135 O SER A 100 6.429 1.569 -5.321 1.00 0.00 O ATOM 136 CB SER A 100 7.307 -0.998 -6.654 1.00 0.00 C ATOM 137 OG SER A 100 8.197 -2.060 -6.946 1.00 0.00 O ATOM 0 H SER A 100 9.244 -0.592 -5.173 1.00 0.00 H new ATOM 0 HA SER A 100 8.532 0.511 -7.574 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.823 -1.179 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.519 -0.963 -7.406 1.00 0.00 H new ATOM 0 HG SER A 100 7.702 -2.906 -6.963 1.00 0.00 H new ATOM 143 N LYS A 101 6.894 2.329 -7.395 1.00 0.00 N ATOM 144 CA LYS A 101 5.977 3.465 -7.330 1.00 0.00 C ATOM 145 C LYS A 101 4.526 3.017 -7.487 1.00 0.00 C ATOM 146 O LYS A 101 3.606 3.682 -7.009 1.00 0.00 O ATOM 147 CB LYS A 101 6.328 4.484 -8.421 1.00 0.00 C ATOM 148 CG LYS A 101 5.393 5.685 -8.471 1.00 0.00 C ATOM 149 CD LYS A 101 5.478 6.519 -7.209 1.00 0.00 C ATOM 150 CE LYS A 101 4.549 7.721 -7.271 1.00 0.00 C ATOM 151 NZ LYS A 101 4.643 8.563 -6.047 1.00 0.00 N ATOM 0 H LYS A 101 7.401 2.253 -8.277 1.00 0.00 H new ATOM 0 HA LYS A 101 6.084 3.929 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.347 4.836 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.312 3.984 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.643 6.304 -9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.368 5.342 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.221 5.903 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.504 6.858 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.794 8.324 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.522 7.379 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.293 9.520 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.067 8.142 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.635 8.617 -5.738 1.00 0.00 H new ATOM 165 N SER A 102 4.330 1.894 -8.172 1.00 0.00 N ATOM 166 CA SER A 102 2.991 1.363 -8.412 1.00 0.00 C ATOM 167 C SER A 102 2.207 1.213 -7.110 1.00 0.00 C ATOM 168 O SER A 102 1.020 1.531 -7.056 1.00 0.00 O ATOM 169 CB SER A 102 3.076 0.013 -9.125 1.00 0.00 C ATOM 170 OG SER A 102 3.790 -0.933 -8.348 1.00 0.00 O ATOM 0 H SER A 102 5.082 1.333 -8.571 1.00 0.00 H new ATOM 0 HA SER A 102 2.462 2.074 -9.046 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.071 -0.360 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.566 0.139 -10.090 1.00 0.00 H new ATOM 0 HG SER A 102 3.828 -1.787 -8.826 1.00 0.00 H new ATOM 176 N TYR A 103 2.872 0.729 -6.065 1.00 0.00 N ATOM 177 CA TYR A 103 2.222 0.541 -4.771 1.00 0.00 C ATOM 178 C TYR A 103 1.664 1.859 -4.237 1.00 0.00 C ATOM 179 O TYR A 103 0.553 1.902 -3.709 1.00 0.00 O ATOM 180 CB TYR A 103 3.199 -0.061 -3.759 1.00 0.00 C ATOM 181 CG TYR A 103 3.546 -1.510 -4.027 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.050 -1.914 -5.258 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.362 -2.476 -3.046 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.361 -3.238 -5.501 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.671 -3.802 -3.282 1.00 0.00 C ATOM 186 CZ TYR A 103 4.170 -4.178 -4.510 1.00 0.00 C ATOM 187 OH TYR A 103 4.479 -5.497 -4.749 1.00 0.00 O ATOM 0 H TYR A 103 3.856 0.461 -6.088 1.00 0.00 H new ATOM 0 HA TYR A 103 1.392 -0.150 -4.915 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.116 0.528 -3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.769 0.021 -2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.201 -1.181 -6.037 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.971 -2.186 -2.082 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.752 -3.536 -6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.522 -4.540 -2.508 1.00 0.00 H new ATOM 0 HH TYR A 103 4.518 -5.983 -3.899 1.00 0.00 H new ATOM 197 N LEU A 104 2.443 2.927 -4.372 1.00 0.00 N ATOM 198 CA LEU A 104 2.026 4.244 -3.901 1.00 0.00 C ATOM 199 C LEU A 104 0.692 4.649 -4.517 1.00 0.00 C ATOM 200 O LEU A 104 -0.172 5.206 -3.840 1.00 0.00 O ATOM 201 CB LEU A 104 3.093 5.296 -4.223 1.00 0.00 C ATOM 202 CG LEU A 104 4.420 5.138 -3.471 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.124 3.851 -3.872 1.00 0.00 C ATOM 204 CD2 LEU A 104 5.323 6.333 -3.731 1.00 0.00 C ATOM 0 H LEU A 104 3.367 2.907 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 104 1.903 4.187 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.296 5.267 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.685 6.282 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 104 4.199 5.089 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.062 3.764 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.486 2.999 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.329 3.867 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.261 6.205 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.528 6.409 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.829 7.243 -3.391 1.00 0.00 H new ATOM 216 N THR A 105 0.526 4.364 -5.805 1.00 0.00 N ATOM 217 CA THR A 105 -0.706 4.698 -6.506 1.00 0.00 C ATOM 218 C THR A 105 -1.687 3.531 -6.472 1.00 0.00 C ATOM 219 O THR A 105 -1.343 2.409 -6.838 1.00 0.00 O ATOM 220 CB THR A 105 -0.432 5.077 -7.974 1.00 0.00 C ATOM 221 OG1 THR A 105 0.160 3.968 -8.662 1.00 0.00 O ATOM 222 CG2 THR A 105 0.492 6.283 -8.058 1.00 0.00 C ATOM 0 H THR A 105 1.229 3.903 -6.383 1.00 0.00 H new ATOM 0 HA THR A 105 -1.142 5.555 -5.992 1.00 0.00 H new ATOM 0 HB THR A 105 -1.381 5.333 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.355 3.252 -8.022 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.671 6.532 -9.104 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.028 7.133 -7.557 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.440 6.050 -7.573 1.00 0.00 H new ATOM 230 N LEU A 106 -2.908 3.802 -6.026 1.00 0.00 N ATOM 231 CA LEU A 106 -3.933 2.767 -5.944 1.00 0.00 C ATOM 232 C LEU A 106 -5.313 3.337 -6.246 1.00 0.00 C ATOM 233 O LEU A 106 -5.728 4.331 -5.650 1.00 0.00 O ATOM 234 CB LEU A 106 -3.928 2.131 -4.551 1.00 0.00 C ATOM 235 CG LEU A 106 -4.989 1.050 -4.321 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.832 -0.081 -5.326 1.00 0.00 C ATOM 237 CD2 LEU A 106 -4.904 0.517 -2.899 1.00 0.00 C ATOM 0 H LEU A 106 -3.212 4.725 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.705 2.006 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.945 1.696 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.068 2.918 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.972 1.498 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.595 -0.838 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.944 0.312 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.844 -0.529 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.664 -0.250 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.917 0.087 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.070 1.332 -2.194 1.00 0.00 H new ATOM 249 N GLU A 107 -6.023 2.697 -7.168 1.00 0.00 N ATOM 250 CA GLU A 107 -7.361 3.139 -7.536 1.00 0.00 C ATOM 251 C GLU A 107 -8.326 2.891 -6.384 1.00 0.00 C ATOM 252 O GLU A 107 -8.273 1.845 -5.735 1.00 0.00 O ATOM 253 CB GLU A 107 -7.846 2.410 -8.793 1.00 0.00 C ATOM 254 CG GLU A 107 -8.152 0.937 -8.568 1.00 0.00 C ATOM 255 CD GLU A 107 -8.570 0.226 -9.840 1.00 0.00 C ATOM 256 OE1 GLU A 107 -7.766 0.197 -10.795 1.00 0.00 O ATOM 257 OE2 GLU A 107 -9.703 -0.300 -9.882 1.00 0.00 O ATOM 0 H GLU A 107 -5.695 1.873 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.325 4.207 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.743 2.905 -9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.086 2.499 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.271 0.446 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.946 0.844 -7.827 1.00 0.00 H new ATOM 264 N ASN A 108 -9.202 3.856 -6.129 1.00 0.00 N ATOM 265 CA ASN A 108 -10.173 3.733 -5.048 1.00 0.00 C ATOM 266 C ASN A 108 -9.458 3.523 -3.715 1.00 0.00 C ATOM 267 O ASN A 108 -9.898 2.731 -2.880 1.00 0.00 O ATOM 268 CB ASN A 108 -11.116 2.560 -5.324 1.00 0.00 C ATOM 269 CG ASN A 108 -11.727 2.620 -6.711 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.015 2.671 -7.715 1.00 0.00 O ATOM 271 ND2 ASN A 108 -13.050 2.603 -6.774 1.00 0.00 N ATOM 0 H ASN A 108 -9.260 4.729 -6.654 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.754 4.653 -4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.569 1.624 -5.212 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.912 2.555 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.518 2.633 -7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.601 2.560 -5.917 1.00 0.00 H new ATOM 278 N GLY A 109 -8.350 4.234 -3.527 1.00 0.00 N ATOM 279 CA GLY A 109 -7.585 4.107 -2.300 1.00 0.00 C ATOM 280 C GLY A 109 -6.445 5.104 -2.215 1.00 0.00 C ATOM 281 O GLY A 109 -6.112 5.763 -3.201 1.00 0.00 O ATOM 0 H GLY A 109 -7.969 4.896 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.249 4.247 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.184 3.096 -2.230 1.00 0.00 H new ATOM 285 N LYS A 110 -5.850 5.216 -1.032 1.00 0.00 N ATOM 286 CA LYS A 110 -4.743 6.139 -0.809 1.00 0.00 C ATOM 287 C LYS A 110 -3.666 5.492 0.056 1.00 0.00 C ATOM 288 O LYS A 110 -3.971 4.772 1.006 1.00 0.00 O ATOM 289 CB LYS A 110 -5.247 7.423 -0.145 1.00 0.00 C ATOM 290 CG LYS A 110 -5.958 7.181 1.178 1.00 0.00 C ATOM 291 CD LYS A 110 -6.437 8.481 1.806 1.00 0.00 C ATOM 292 CE LYS A 110 -7.454 9.192 0.925 1.00 0.00 C ATOM 293 NZ LYS A 110 -7.936 10.457 1.544 1.00 0.00 N ATOM 0 H LYS A 110 -6.118 4.676 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.307 6.388 -1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.403 8.092 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.928 7.933 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.809 6.519 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.283 6.672 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.882 8.273 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.584 9.137 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.005 9.410 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.301 8.531 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.627 10.911 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.387 10.247 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.131 11.098 1.695 1.00 0.00 H new ATOM 307 N VAL A 111 -2.406 5.747 -0.284 1.00 0.00 N ATOM 308 CA VAL A 111 -1.285 5.181 0.458 1.00 0.00 C ATOM 309 C VAL A 111 -0.559 6.254 1.265 1.00 0.00 C ATOM 310 O VAL A 111 -0.389 7.383 0.806 1.00 0.00 O ATOM 311 CB VAL A 111 -0.278 4.492 -0.486 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.894 3.922 0.300 1.00 0.00 C ATOM 313 CG2 VAL A 111 -0.965 3.402 -1.293 1.00 0.00 C ATOM 0 H VAL A 111 -2.136 6.341 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.700 4.439 1.140 1.00 0.00 H new ATOM 0 HB VAL A 111 0.110 5.239 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.592 3.441 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.403 4.727 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.528 3.189 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.240 2.927 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.383 2.657 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.766 3.840 -1.889 1.00 0.00 H new ATOM 323 N PHE A 112 -0.133 5.889 2.471 1.00 0.00 N ATOM 324 CA PHE A 112 0.579 6.814 3.345 1.00 0.00 C ATOM 325 C PHE A 112 2.064 6.477 3.388 1.00 0.00 C ATOM 326 O PHE A 112 2.443 5.310 3.492 1.00 0.00 O ATOM 327 CB PHE A 112 -0.007 6.778 4.760 1.00 0.00 C ATOM 328 CG PHE A 112 -1.421 7.281 4.849 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.453 6.618 4.203 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.717 8.415 5.587 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.753 7.081 4.289 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.014 8.882 5.677 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.034 8.214 5.029 1.00 0.00 C ATOM 0 H PHE A 112 -0.269 4.958 2.865 1.00 0.00 H new ATOM 0 HA PHE A 112 0.460 7.820 2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.027 5.753 5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.623 7.376 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.239 5.730 3.626 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.924 8.941 6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.548 6.558 3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.230 9.769 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.049 8.576 5.100 1.00 0.00 H new ATOM 343 N LEU A 113 2.901 7.505 3.304 1.00 0.00 N ATOM 344 CA LEU A 113 4.345 7.320 3.330 1.00 0.00 C ATOM 345 C LEU A 113 4.900 7.643 4.707 1.00 0.00 C ATOM 346 O LEU A 113 4.423 8.554 5.383 1.00 0.00 O ATOM 347 CB LEU A 113 5.024 8.202 2.276 1.00 0.00 C ATOM 348 CG LEU A 113 4.652 7.904 0.819 1.00 0.00 C ATOM 349 CD1 LEU A 113 4.883 6.436 0.494 1.00 0.00 C ATOM 350 CD2 LEU A 113 3.211 8.300 0.534 1.00 0.00 C ATOM 0 H LEU A 113 2.602 8.476 3.217 1.00 0.00 H new ATOM 0 HA LEU A 113 4.555 6.275 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.780 9.243 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.104 8.099 2.384 1.00 0.00 H new ATOM 0 HG LEU A 113 5.299 8.501 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.613 6.246 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.934 6.191 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.268 5.817 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.972 8.079 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.543 7.738 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.084 9.367 0.716 1.00 0.00 H new ATOM 362 N THR A 114 5.914 6.895 5.115 1.00 0.00 N ATOM 363 CA THR A 114 6.536 7.110 6.412 1.00 0.00 C ATOM 364 C THR A 114 7.999 6.682 6.386 1.00 0.00 C ATOM 365 O THR A 114 8.318 5.555 6.005 1.00 0.00 O ATOM 366 CB THR A 114 5.802 6.333 7.522 1.00 0.00 C ATOM 367 OG1 THR A 114 4.434 6.750 7.590 1.00 0.00 O ATOM 368 CG2 THR A 114 6.470 6.552 8.872 1.00 0.00 C ATOM 0 H THR A 114 6.322 6.136 4.569 1.00 0.00 H new ATOM 0 HA THR A 114 6.472 8.177 6.628 1.00 0.00 H new ATOM 0 HB THR A 114 5.848 5.271 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.974 6.250 8.297 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.933 5.993 9.639 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.503 6.206 8.827 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.453 7.614 9.118 1.00 0.00 H new ATOM 376 N GLY A 115 8.886 7.588 6.791 1.00 0.00 N ATOM 377 CA GLY A 115 10.305 7.281 6.800 1.00 0.00 C ATOM 378 C GLY A 115 10.856 7.049 5.405 1.00 0.00 C ATOM 379 O GLY A 115 10.137 6.594 4.516 1.00 0.00 O ATOM 0 H GLY A 115 8.648 8.526 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.848 8.101 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.478 6.393 7.408 1.00 0.00 H new ATOM 383 N GLY A 116 12.131 7.367 5.210 1.00 0.00 N ATOM 384 CA GLY A 116 12.747 7.183 3.908 1.00 0.00 C ATOM 385 C GLY A 116 12.272 8.200 2.890 1.00 0.00 C ATOM 386 O GLY A 116 11.103 8.588 2.888 1.00 0.00 O ATOM 0 H GLY A 116 12.748 7.748 5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.830 7.254 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.526 6.180 3.544 1.00 0.00 H new ATOM 390 N ASP A 117 13.183 8.636 2.025 1.00 0.00 N ATOM 391 CA ASP A 117 12.862 9.616 0.997 1.00 0.00 C ATOM 392 C ASP A 117 14.048 9.800 0.062 1.00 0.00 C ATOM 393 O ASP A 117 15.193 9.849 0.511 1.00 0.00 O ATOM 394 CB ASP A 117 12.483 10.955 1.634 1.00 0.00 C ATOM 395 CG ASP A 117 13.592 11.518 2.500 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.980 10.848 3.480 1.00 0.00 O ATOM 397 OD2 ASP A 117 14.076 12.630 2.198 1.00 0.00 O ATOM 0 H ASP A 117 14.154 8.323 2.017 1.00 0.00 H new ATOM 0 HA ASP A 117 12.011 9.251 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.239 11.671 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.585 10.826 2.238 1.00 0.00 H new ATOM 402 N LEU A 118 13.769 9.891 -1.235 1.00 0.00 N ATOM 403 CA LEU A 118 14.822 10.058 -2.233 1.00 0.00 C ATOM 404 C LEU A 118 15.857 11.080 -1.765 1.00 0.00 C ATOM 405 O LEU A 118 15.502 12.143 -1.252 1.00 0.00 O ATOM 406 CB LEU A 118 14.222 10.455 -3.598 1.00 0.00 C ATOM 407 CG LEU A 118 13.620 11.870 -3.723 1.00 0.00 C ATOM 408 CD1 LEU A 118 12.726 12.205 -2.538 1.00 0.00 C ATOM 409 CD2 LEU A 118 14.714 12.918 -3.879 1.00 0.00 C ATOM 0 H LEU A 118 12.825 9.852 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 118 15.331 9.102 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.003 10.353 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.443 9.734 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 118 13.002 11.881 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 118 12.320 13.209 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.908 11.487 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.309 12.159 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.262 13.906 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.369 12.893 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.296 12.706 -4.776 1.00 0.00 H new ATOM 421 N PRO A 119 17.159 10.771 -1.921 1.00 0.00 N ATOM 422 CA PRO A 119 17.632 9.521 -2.521 1.00 0.00 C ATOM 423 C PRO A 119 17.788 8.381 -1.509 1.00 0.00 C ATOM 424 O PRO A 119 18.854 7.773 -1.414 1.00 0.00 O ATOM 425 CB PRO A 119 18.992 9.928 -3.079 1.00 0.00 C ATOM 426 CG PRO A 119 19.497 10.956 -2.121 1.00 0.00 C ATOM 427 CD PRO A 119 18.284 11.637 -1.529 1.00 0.00 C ATOM 0 HA PRO A 119 16.931 9.128 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.668 9.075 -3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 119 18.902 10.334 -4.086 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.100 10.493 -1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.135 11.678 -2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.363 11.721 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.164 12.648 -1.919 1.00 0.00 H new ATOM 435 N ALA A 120 16.724 8.090 -0.760 1.00 0.00 N ATOM 436 CA ALA A 120 16.759 7.019 0.231 1.00 0.00 C ATOM 437 C ALA A 120 15.501 6.161 0.148 1.00 0.00 C ATOM 438 O ALA A 120 14.391 6.682 0.036 1.00 0.00 O ATOM 439 CB ALA A 120 16.916 7.597 1.630 1.00 0.00 C ATOM 0 H ALA A 120 15.831 8.580 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 120 17.619 6.384 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.940 6.786 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.845 8.164 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.075 8.255 1.848 1.00 0.00 H new ATOM 445 N LEU A 121 15.679 4.843 0.199 1.00 0.00 N ATOM 446 CA LEU A 121 14.552 3.918 0.122 1.00 0.00 C ATOM 447 C LEU A 121 14.529 2.979 1.324 1.00 0.00 C ATOM 448 O LEU A 121 13.464 2.675 1.863 1.00 0.00 O ATOM 449 CB LEU A 121 14.603 3.095 -1.171 1.00 0.00 C ATOM 450 CG LEU A 121 15.740 2.074 -1.259 1.00 0.00 C ATOM 451 CD1 LEU A 121 15.600 1.230 -2.516 1.00 0.00 C ATOM 452 CD2 LEU A 121 17.089 2.771 -1.233 1.00 0.00 C ATOM 0 H LEU A 121 16.590 4.393 0.293 1.00 0.00 H new ATOM 0 HA LEU A 121 13.641 4.516 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.656 2.568 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.688 3.781 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 121 15.678 1.416 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.416 0.509 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 121 14.648 0.699 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.635 1.876 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 121 17.884 2.028 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.162 3.454 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 121 17.191 3.332 -0.304 1.00 0.00 H new ATOM 464 N ASP A 122 15.706 2.520 1.737 1.00 0.00 N ATOM 465 CA ASP A 122 15.813 1.612 2.873 1.00 0.00 C ATOM 466 C ASP A 122 15.283 2.274 4.139 1.00 0.00 C ATOM 467 O ASP A 122 15.555 3.446 4.399 1.00 0.00 O ATOM 468 CB ASP A 122 17.268 1.181 3.077 1.00 0.00 C ATOM 469 CG ASP A 122 17.428 0.210 4.231 1.00 0.00 C ATOM 470 OD1 ASP A 122 16.813 -0.876 4.183 1.00 0.00 O ATOM 471 OD2 ASP A 122 18.171 0.535 5.181 1.00 0.00 O ATOM 0 H ASP A 122 16.597 2.761 1.303 1.00 0.00 H new ATOM 0 HA ASP A 122 15.210 0.729 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.638 0.718 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 122 17.883 2.062 3.260 1.00 0.00 H new ATOM 476 N GLY A 123 14.514 1.519 4.917 1.00 0.00 N ATOM 477 CA GLY A 123 13.948 2.055 6.140 1.00 0.00 C ATOM 478 C GLY A 123 12.727 2.914 5.876 1.00 0.00 C ATOM 479 O GLY A 123 12.670 4.071 6.295 1.00 0.00 O ATOM 0 H GLY A 123 14.273 0.547 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.676 1.234 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.702 2.647 6.658 1.00 0.00 H new ATOM 483 N ALA A 124 11.750 2.346 5.176 1.00 0.00 N ATOM 484 CA ALA A 124 10.524 3.064 4.848 1.00 0.00 C ATOM 485 C ALA A 124 9.331 2.115 4.792 1.00 0.00 C ATOM 486 O ALA A 124 9.394 1.057 4.167 1.00 0.00 O ATOM 487 CB ALA A 124 10.682 3.794 3.522 1.00 0.00 C ATOM 0 H ALA A 124 11.784 1.389 4.825 1.00 0.00 H new ATOM 0 HA ALA A 124 10.337 3.795 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.760 4.326 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.504 4.506 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.895 3.073 2.733 1.00 0.00 H new ATOM 493 N ARG A 125 8.242 2.505 5.451 1.00 0.00 N ATOM 494 CA ARG A 125 7.029 1.693 5.482 1.00 0.00 C ATOM 495 C ARG A 125 5.822 2.490 4.999 1.00 0.00 C ATOM 496 O ARG A 125 5.662 3.661 5.343 1.00 0.00 O ATOM 497 CB ARG A 125 6.754 1.169 6.895 1.00 0.00 C ATOM 498 CG ARG A 125 7.764 0.146 7.395 1.00 0.00 C ATOM 499 CD ARG A 125 9.098 0.783 7.747 1.00 0.00 C ATOM 500 NE ARG A 125 10.049 -0.204 8.250 1.00 0.00 N ATOM 501 CZ ARG A 125 11.267 0.097 8.687 1.00 0.00 C ATOM 502 NH1 ARG A 125 11.681 1.357 8.696 1.00 0.00 N ATOM 503 NH2 ARG A 125 12.071 -0.864 9.123 1.00 0.00 N ATOM 0 H ARG A 125 8.175 3.380 5.971 1.00 0.00 H new ATOM 0 HA ARG A 125 7.190 0.848 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.738 2.013 7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.761 0.721 6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.362 -0.360 8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.917 -0.615 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 125 9.512 1.272 6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 125 8.945 1.558 8.499 1.00 0.00 H new ATOM 0 HE ARG A 125 9.761 -1.182 8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 125 11.064 2.099 8.367 1.00 0.00 H new ATOM 0 HH12 ARG A 125 12.617 1.584 9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 125 11.754 -1.833 9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.006 -0.633 9.459 1.00 0.00 H new ATOM 517 N VAL A 126 4.972 1.843 4.208 1.00 0.00 N ATOM 518 CA VAL A 126 3.775 2.488 3.687 1.00 0.00 C ATOM 519 C VAL A 126 2.512 1.799 4.199 1.00 0.00 C ATOM 520 O VAL A 126 2.436 0.567 4.241 1.00 0.00 O ATOM 521 CB VAL A 126 3.760 2.493 2.146 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.985 3.212 1.607 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.680 1.075 1.603 1.00 0.00 C ATOM 0 H VAL A 126 5.091 0.873 3.915 1.00 0.00 H new ATOM 0 HA VAL A 126 3.792 3.518 4.042 1.00 0.00 H new ATOM 0 HB VAL A 126 2.873 3.031 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.960 3.207 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.990 4.241 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.886 2.704 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.671 1.103 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.544 0.505 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.767 0.599 1.962 1.00 0.00 H new ATOM 533 N GLU A 127 1.527 2.602 4.589 1.00 0.00 N ATOM 534 CA GLU A 127 0.268 2.074 5.099 1.00 0.00 C ATOM 535 C GLU A 127 -0.851 2.248 4.076 1.00 0.00 C ATOM 536 O GLU A 127 -1.255 3.370 3.771 1.00 0.00 O ATOM 537 CB GLU A 127 -0.109 2.776 6.406 1.00 0.00 C ATOM 538 CG GLU A 127 -1.383 2.245 7.045 1.00 0.00 C ATOM 539 CD GLU A 127 -1.281 0.784 7.442 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.097 -0.066 6.546 1.00 0.00 O ATOM 541 OE2 GLU A 127 -1.382 0.490 8.652 1.00 0.00 O ATOM 0 H GLU A 127 1.577 3.620 4.561 1.00 0.00 H new ATOM 0 HA GLU A 127 0.400 1.009 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.713 2.670 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.228 3.842 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.616 2.841 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.212 2.370 6.348 1.00 0.00 H new ATOM 548 N PHE A 128 -1.354 1.132 3.559 1.00 0.00 N ATOM 549 CA PHE A 128 -2.435 1.161 2.580 1.00 0.00 C ATOM 550 C PHE A 128 -3.761 1.489 3.255 1.00 0.00 C ATOM 551 O PHE A 128 -3.930 1.267 4.455 1.00 0.00 O ATOM 552 CB PHE A 128 -2.536 -0.174 1.837 1.00 0.00 C ATOM 553 CG PHE A 128 -1.399 -0.433 0.887 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.085 -0.405 1.324 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.652 -0.704 -0.449 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.957 -0.642 0.446 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.614 -0.942 -1.330 1.00 0.00 C ATOM 558 CZ PHE A 128 0.692 -0.910 -0.883 1.00 0.00 C ATOM 0 H PHE A 128 -1.030 0.196 3.802 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.210 1.942 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.577 -0.982 2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.473 -0.199 1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.128 -0.196 2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.671 -0.729 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.977 -0.618 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.824 -1.153 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.504 -1.094 -1.571 1.00 0.00 H new ATOM 568 N ARG A 129 -4.699 2.024 2.481 1.00 0.00 N ATOM 569 CA ARG A 129 -6.007 2.390 3.011 1.00 0.00 C ATOM 570 C ARG A 129 -7.023 2.532 1.879 1.00 0.00 C ATOM 571 O ARG A 129 -6.777 3.235 0.900 1.00 0.00 O ATOM 572 CB ARG A 129 -5.898 3.710 3.781 1.00 0.00 C ATOM 573 CG ARG A 129 -7.118 4.049 4.624 1.00 0.00 C ATOM 574 CD ARG A 129 -7.229 3.147 5.846 1.00 0.00 C ATOM 575 NE ARG A 129 -7.625 1.786 5.500 1.00 0.00 N ATOM 576 CZ ARG A 129 -8.810 1.473 4.987 1.00 0.00 C ATOM 577 NH1 ARG A 129 -9.711 2.420 4.766 1.00 0.00 N ATOM 578 NH2 ARG A 129 -9.098 0.212 4.697 1.00 0.00 N ATOM 0 H ARG A 129 -4.578 2.214 1.486 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.346 1.603 3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.024 3.666 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.727 4.518 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -7.061 5.089 4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -8.018 3.951 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.270 3.123 6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -7.956 3.568 6.540 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.955 1.034 5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.495 3.391 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.620 2.177 4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.409 -0.521 4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -10.008 -0.026 4.303 1.00 0.00 H new ATOM 592 N CYS A 130 -8.161 1.857 2.016 1.00 0.00 N ATOM 593 CA CYS A 130 -9.206 1.912 0.996 1.00 0.00 C ATOM 594 C CYS A 130 -10.177 3.061 1.253 1.00 0.00 C ATOM 595 O CYS A 130 -10.540 3.342 2.394 1.00 0.00 O ATOM 596 CB CYS A 130 -9.975 0.589 0.940 1.00 0.00 C ATOM 597 SG CYS A 130 -8.990 -0.825 0.346 1.00 0.00 S ATOM 0 H CYS A 130 -8.383 1.268 2.819 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.717 2.084 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.354 0.360 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.841 0.713 0.290 1.00 0.00 H new ATOM 602 N ASP A 131 -10.592 3.718 0.172 1.00 0.00 N ATOM 603 CA ASP A 131 -11.525 4.839 0.255 1.00 0.00 C ATOM 604 C ASP A 131 -12.793 4.446 1.009 1.00 0.00 C ATOM 605 O ASP A 131 -13.118 3.264 1.115 1.00 0.00 O ATOM 606 CB ASP A 131 -11.884 5.326 -1.151 1.00 0.00 C ATOM 607 CG ASP A 131 -10.696 5.920 -1.882 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.608 6.007 -1.274 1.00 0.00 O ATOM 609 OD2 ASP A 131 -10.855 6.305 -3.059 1.00 0.00 O ATOM 0 H ASP A 131 -10.295 3.491 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.039 5.645 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.283 4.493 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.675 6.073 -1.082 1.00 0.00 H new ATOM 614 N PRO A 132 -13.534 5.440 1.542 1.00 0.00 N ATOM 615 CA PRO A 132 -14.774 5.201 2.283 1.00 0.00 C ATOM 616 C PRO A 132 -15.685 4.209 1.570 1.00 0.00 C ATOM 617 O PRO A 132 -15.622 4.069 0.348 1.00 0.00 O ATOM 618 CB PRO A 132 -15.438 6.588 2.357 1.00 0.00 C ATOM 619 CG PRO A 132 -14.599 7.491 1.508 1.00 0.00 C ATOM 620 CD PRO A 132 -13.233 6.873 1.460 1.00 0.00 C ATOM 0 HA PRO A 132 -14.581 4.764 3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.464 6.550 1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.480 6.947 3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.019 7.584 0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.557 8.495 1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.705 7.125 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.607 7.205 2.288 1.00 0.00 H new ATOM 628 N ASP A 133 -16.516 3.513 2.347 1.00 0.00 N ATOM 629 CA ASP A 133 -17.440 2.512 1.809 1.00 0.00 C ATOM 630 C ASP A 133 -16.703 1.212 1.495 1.00 0.00 C ATOM 631 O ASP A 133 -17.268 0.125 1.612 1.00 0.00 O ATOM 632 CB ASP A 133 -18.154 3.033 0.558 1.00 0.00 C ATOM 633 CG ASP A 133 -18.946 4.299 0.825 1.00 0.00 C ATOM 634 OD1 ASP A 133 -18.935 4.775 1.980 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.575 4.816 -0.122 1.00 0.00 O ATOM 0 H ASP A 133 -16.568 3.625 3.359 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.193 2.312 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.418 3.227 -0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.825 2.262 0.179 1.00 0.00 H new ATOM 640 N PHE A 134 -15.436 1.329 1.105 1.00 0.00 N ATOM 641 CA PHE A 134 -14.623 0.160 0.788 1.00 0.00 C ATOM 642 C PHE A 134 -13.585 -0.076 1.881 1.00 0.00 C ATOM 643 O PHE A 134 -12.845 0.835 2.253 1.00 0.00 O ATOM 644 CB PHE A 134 -13.921 0.339 -0.562 1.00 0.00 C ATOM 645 CG PHE A 134 -14.858 0.484 -1.730 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.734 1.555 -1.809 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.855 -0.450 -2.754 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.590 1.691 -2.886 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.707 -0.318 -3.833 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.576 0.753 -3.900 1.00 0.00 C ATOM 0 H PHE A 134 -14.952 2.221 1.001 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.282 -0.706 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.281 1.220 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.270 -0.518 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.748 2.292 -1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.179 -1.291 -2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.269 2.530 -2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -15.694 -1.053 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.243 0.857 -4.743 1.00 0.00 H new ATOM 660 N HIS A 135 -13.539 -1.300 2.397 1.00 0.00 N ATOM 661 CA HIS A 135 -12.593 -1.647 3.452 1.00 0.00 C ATOM 662 C HIS A 135 -11.473 -2.539 2.925 1.00 0.00 C ATOM 663 O HIS A 135 -11.716 -3.480 2.168 1.00 0.00 O ATOM 664 CB HIS A 135 -13.318 -2.336 4.610 1.00 0.00 C ATOM 665 CG HIS A 135 -14.087 -3.553 4.202 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.129 -3.519 3.300 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.960 -4.848 4.578 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.611 -4.738 3.140 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.919 -5.562 3.904 1.00 0.00 N ATOM 0 H HIS A 135 -14.144 -2.067 2.103 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.143 -0.723 3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.587 -2.617 5.368 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.001 -1.624 5.074 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.239 -5.245 5.277 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.432 -5.014 2.494 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -15.072 -6.567 3.981 1.00 0.00 H new ATOM 678 N LEU A 136 -10.245 -2.233 3.334 1.00 0.00 N ATOM 679 CA LEU A 136 -9.076 -2.999 2.915 1.00 0.00 C ATOM 680 C LEU A 136 -9.022 -4.337 3.651 1.00 0.00 C ATOM 681 O LEU A 136 -9.148 -4.386 4.874 1.00 0.00 O ATOM 682 CB LEU A 136 -7.804 -2.184 3.178 1.00 0.00 C ATOM 683 CG LEU A 136 -6.517 -2.729 2.550 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.412 -1.689 2.634 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.079 -4.012 3.235 1.00 0.00 C ATOM 0 H LEU A 136 -10.033 -1.455 3.959 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.148 -3.204 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.963 -1.170 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.658 -2.113 4.256 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.718 -2.952 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.502 -2.087 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.717 -0.790 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.223 -1.443 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.163 -4.378 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.897 -3.816 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.862 -4.764 3.135 1.00 0.00 H new ATOM 697 N VAL A 137 -8.838 -5.419 2.898 1.00 0.00 N ATOM 698 CA VAL A 137 -8.773 -6.755 3.482 1.00 0.00 C ATOM 699 C VAL A 137 -7.617 -7.566 2.896 1.00 0.00 C ATOM 700 O VAL A 137 -7.836 -8.548 2.185 1.00 0.00 O ATOM 701 CB VAL A 137 -10.092 -7.526 3.264 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.056 -8.872 3.975 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.277 -6.701 3.737 1.00 0.00 C ATOM 0 H VAL A 137 -8.732 -5.396 1.884 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.608 -6.622 4.551 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.206 -7.710 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.996 -9.397 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.232 -9.468 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.914 -8.715 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.198 -7.261 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.167 -6.482 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.317 -5.767 3.176 1.00 0.00 H new ATOM 713 N GLY A 138 -6.386 -7.156 3.188 1.00 0.00 N ATOM 714 CA GLY A 138 -5.238 -7.873 2.667 1.00 0.00 C ATOM 715 C GLY A 138 -3.923 -7.369 3.221 1.00 0.00 C ATOM 716 O GLY A 138 -3.791 -7.149 4.424 1.00 0.00 O ATOM 0 H GLY A 138 -6.165 -6.348 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.342 -8.933 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.225 -7.786 1.581 1.00 0.00 H new ATOM 720 N SER A 139 -2.946 -7.195 2.334 1.00 0.00 N ATOM 721 CA SER A 139 -1.627 -6.719 2.717 1.00 0.00 C ATOM 722 C SER A 139 -1.649 -5.220 3.002 1.00 0.00 C ATOM 723 O SER A 139 -0.889 -4.453 2.409 1.00 0.00 O ATOM 724 CB SER A 139 -0.631 -7.028 1.606 1.00 0.00 C ATOM 725 OG SER A 139 -0.561 -8.422 1.356 1.00 0.00 O ATOM 0 H SER A 139 -3.049 -7.380 1.336 1.00 0.00 H new ATOM 0 HA SER A 139 -1.323 -7.231 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.924 -6.506 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.355 -6.655 1.883 1.00 0.00 H new ATOM 0 HG SER A 139 -0.387 -8.575 0.404 1.00 0.00 H new ATOM 731 N SER A 140 -2.529 -4.813 3.908 1.00 0.00 N ATOM 732 CA SER A 140 -2.668 -3.410 4.278 1.00 0.00 C ATOM 733 C SER A 140 -1.312 -2.789 4.605 1.00 0.00 C ATOM 734 O SER A 140 -1.035 -1.650 4.233 1.00 0.00 O ATOM 735 CB SER A 140 -3.612 -3.284 5.475 1.00 0.00 C ATOM 736 OG SER A 140 -3.832 -1.925 5.812 1.00 0.00 O ATOM 0 H SER A 140 -3.162 -5.441 4.404 1.00 0.00 H new ATOM 0 HA SER A 140 -3.087 -2.869 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.563 -3.763 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.190 -3.810 6.331 1.00 0.00 H new ATOM 0 HG SER A 140 -4.440 -1.872 6.579 1.00 0.00 H new ATOM 742 N ARG A 141 -0.469 -3.546 5.302 1.00 0.00 N ATOM 743 CA ARG A 141 0.860 -3.070 5.675 1.00 0.00 C ATOM 744 C ARG A 141 1.922 -3.613 4.723 1.00 0.00 C ATOM 745 O ARG A 141 1.923 -4.798 4.396 1.00 0.00 O ATOM 746 CB ARG A 141 1.181 -3.485 7.113 1.00 0.00 C ATOM 747 CG ARG A 141 1.131 -4.988 7.336 1.00 0.00 C ATOM 748 CD ARG A 141 1.397 -5.347 8.790 1.00 0.00 C ATOM 749 NE ARG A 141 1.326 -6.788 9.022 1.00 0.00 N ATOM 750 CZ ARG A 141 0.226 -7.513 8.838 1.00 0.00 C ATOM 751 NH1 ARG A 141 -0.901 -6.933 8.446 1.00 0.00 N ATOM 752 NH2 ARG A 141 0.250 -8.822 9.054 1.00 0.00 N ATOM 0 H ARG A 141 -0.682 -4.491 5.620 1.00 0.00 H new ATOM 0 HA ARG A 141 0.865 -1.982 5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 141 2.174 -3.120 7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.475 -3.002 7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.153 -5.368 7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.869 -5.476 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.383 -4.982 9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 141 0.671 -4.841 9.427 1.00 0.00 H new ATOM 0 HE ARG A 141 2.168 -7.265 9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.927 -5.926 8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -1.741 -7.494 8.306 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.112 -9.272 9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.594 -9.378 8.913 1.00 0.00 H new ATOM 766 N SER A 142 2.826 -2.740 4.279 1.00 0.00 N ATOM 767 CA SER A 142 3.892 -3.137 3.360 1.00 0.00 C ATOM 768 C SER A 142 5.165 -2.341 3.633 1.00 0.00 C ATOM 769 O SER A 142 5.123 -1.121 3.792 1.00 0.00 O ATOM 770 CB SER A 142 3.449 -2.919 1.912 1.00 0.00 C ATOM 771 OG SER A 142 2.289 -3.676 1.613 1.00 0.00 O ATOM 0 H SER A 142 2.841 -1.754 4.541 1.00 0.00 H new ATOM 0 HA SER A 142 4.100 -4.195 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.249 -1.861 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.256 -3.201 1.235 1.00 0.00 H new ATOM 0 HG SER A 142 2.245 -4.455 2.206 1.00 0.00 H new ATOM 777 N VAL A 143 6.297 -3.038 3.685 1.00 0.00 N ATOM 778 CA VAL A 143 7.581 -2.394 3.938 1.00 0.00 C ATOM 779 C VAL A 143 8.546 -2.621 2.778 1.00 0.00 C ATOM 780 O VAL A 143 8.737 -3.750 2.326 1.00 0.00 O ATOM 781 CB VAL A 143 8.219 -2.906 5.246 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.406 -4.415 5.199 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.543 -2.204 5.507 1.00 0.00 C ATOM 0 H VAL A 143 6.350 -4.048 3.555 1.00 0.00 H new ATOM 0 HA VAL A 143 7.389 -1.326 4.037 1.00 0.00 H new ATOM 0 HB VAL A 143 7.544 -2.675 6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.857 -4.755 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.438 -4.898 5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.057 -4.675 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.977 -2.579 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.227 -2.399 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.375 -1.131 5.593 1.00 0.00 H new ATOM 793 N CYS A 144 9.146 -1.537 2.295 1.00 0.00 N ATOM 794 CA CYS A 144 10.086 -1.612 1.182 1.00 0.00 C ATOM 795 C CYS A 144 11.400 -2.264 1.604 1.00 0.00 C ATOM 796 O CYS A 144 11.895 -2.036 2.708 1.00 0.00 O ATOM 797 CB CYS A 144 10.356 -0.216 0.618 1.00 0.00 C ATOM 798 SG CYS A 144 11.482 -0.201 -0.813 1.00 0.00 S ATOM 0 H CYS A 144 8.997 -0.595 2.658 1.00 0.00 H new ATOM 0 HA CYS A 144 9.633 -2.231 0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.408 0.236 0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.778 0.408 1.406 1.00 0.00 H new ATOM 803 N SER A 145 11.964 -3.068 0.706 1.00 0.00 N ATOM 804 CA SER A 145 13.227 -3.754 0.962 1.00 0.00 C ATOM 805 C SER A 145 13.730 -4.425 -0.312 1.00 0.00 C ATOM 806 O SER A 145 13.010 -5.201 -0.940 1.00 0.00 O ATOM 807 CB SER A 145 13.055 -4.796 2.070 1.00 0.00 C ATOM 808 OG SER A 145 14.277 -5.462 2.338 1.00 0.00 O ATOM 0 H SER A 145 11.563 -3.261 -0.212 1.00 0.00 H new ATOM 0 HA SER A 145 13.961 -3.017 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.695 -4.311 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.298 -5.523 1.776 1.00 0.00 H new ATOM 0 HG SER A 145 14.141 -6.121 3.050 1.00 0.00 H new ATOM 814 N GLN A 146 14.965 -4.115 -0.695 1.00 0.00 N ATOM 815 CA GLN A 146 15.552 -4.681 -1.905 1.00 0.00 C ATOM 816 C GLN A 146 14.682 -4.362 -3.120 1.00 0.00 C ATOM 817 O GLN A 146 14.498 -5.199 -4.003 1.00 0.00 O ATOM 818 CB GLN A 146 15.730 -6.198 -1.766 1.00 0.00 C ATOM 819 CG GLN A 146 16.891 -6.612 -0.870 1.00 0.00 C ATOM 820 CD GLN A 146 16.719 -6.185 0.578 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.693 -4.995 0.890 1.00 0.00 O ATOM 822 NE2 GLN A 146 16.605 -7.161 1.470 1.00 0.00 N ATOM 0 H GLN A 146 15.577 -3.477 -0.187 1.00 0.00 H new ATOM 0 HA GLN A 146 16.534 -4.231 -2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.809 -6.626 -1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 146 15.880 -6.627 -2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 146 17.003 -7.695 -0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.813 -6.182 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.632 -8.135 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.490 -6.938 2.459 1.00 0.00 H new ATOM 831 N GLY A 147 14.152 -3.140 -3.149 1.00 0.00 N ATOM 832 CA GLY A 147 13.303 -2.710 -4.249 1.00 0.00 C ATOM 833 C GLY A 147 11.895 -3.275 -4.161 1.00 0.00 C ATOM 834 O GLY A 147 10.918 -2.530 -4.237 1.00 0.00 O ATOM 0 H GLY A 147 14.297 -2.436 -2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.253 -1.621 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.755 -3.017 -5.192 1.00 0.00 H new ATOM 838 N GLN A 148 11.791 -4.590 -4.000 1.00 0.00 N ATOM 839 CA GLN A 148 10.493 -5.252 -3.899 1.00 0.00 C ATOM 840 C GLN A 148 9.880 -5.049 -2.516 1.00 0.00 C ATOM 841 O GLN A 148 10.590 -5.031 -1.511 1.00 0.00 O ATOM 842 CB GLN A 148 10.635 -6.746 -4.201 1.00 0.00 C ATOM 843 CG GLN A 148 11.660 -7.450 -3.328 1.00 0.00 C ATOM 844 CD GLN A 148 11.820 -8.916 -3.682 1.00 0.00 C ATOM 845 OE1 GLN A 148 12.146 -9.260 -4.818 1.00 0.00 O ATOM 846 NE2 GLN A 148 11.593 -9.789 -2.707 1.00 0.00 N ATOM 0 H GLN A 148 12.591 -5.220 -3.936 1.00 0.00 H new ATOM 0 HA GLN A 148 9.826 -4.804 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.666 -7.228 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.914 -6.871 -5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.623 -6.949 -3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.363 -7.363 -2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.325 -9.460 -1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.687 -10.789 -2.886 1.00 0.00 H new ATOM 855 N TRP A 149 8.560 -4.898 -2.467 1.00 0.00 N ATOM 856 CA TRP A 149 7.865 -4.700 -1.199 1.00 0.00 C ATOM 857 C TRP A 149 7.579 -6.038 -0.528 1.00 0.00 C ATOM 858 O TRP A 149 7.351 -7.044 -1.199 1.00 0.00 O ATOM 859 CB TRP A 149 6.557 -3.933 -1.407 1.00 0.00 C ATOM 860 CG TRP A 149 6.747 -2.572 -2.006 1.00 0.00 C ATOM 861 CD1 TRP A 149 6.942 -2.273 -3.325 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.780 -1.326 -1.302 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.071 -0.913 -3.485 1.00 0.00 N ATOM 864 CE2 TRP A 149 6.980 -0.312 -2.258 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.653 -0.969 0.042 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.055 1.034 -1.910 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.731 0.368 0.386 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.930 1.355 -0.587 1.00 0.00 C ATOM 0 H TRP A 149 7.952 -4.909 -3.286 1.00 0.00 H new ATOM 0 HA TRP A 149 8.515 -4.112 -0.551 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.902 -4.517 -2.054 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.049 -3.831 -0.448 1.00 0.00 H new ATOM 0 HD1 TRP A 149 6.988 -2.998 -4.124 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.212 -0.431 -4.373 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.497 -1.723 0.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.207 1.797 -2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.637 0.656 1.423 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.986 2.391 -0.286 1.00 0.00 H new ATOM 879 N SER A 150 7.606 -6.042 0.802 1.00 0.00 N ATOM 880 CA SER A 150 7.363 -7.258 1.569 1.00 0.00 C ATOM 881 C SER A 150 6.049 -7.920 1.167 1.00 0.00 C ATOM 882 O SER A 150 6.039 -9.060 0.705 1.00 0.00 O ATOM 883 CB SER A 150 7.350 -6.943 3.065 1.00 0.00 C ATOM 884 OG SER A 150 7.118 -8.113 3.831 1.00 0.00 O ATOM 0 H SER A 150 7.794 -5.216 1.370 1.00 0.00 H new ATOM 0 HA SER A 150 8.172 -7.955 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.302 -6.498 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.576 -6.206 3.278 1.00 0.00 H new ATOM 0 HG SER A 150 7.116 -7.885 4.784 1.00 0.00 H new ATOM 890 N THR A 151 4.938 -7.209 1.348 1.00 0.00 N ATOM 891 CA THR A 151 3.631 -7.754 0.999 1.00 0.00 C ATOM 892 C THR A 151 3.056 -7.091 -0.252 1.00 0.00 C ATOM 893 O THR A 151 3.106 -5.870 -0.397 1.00 0.00 O ATOM 894 CB THR A 151 2.631 -7.592 2.155 1.00 0.00 C ATOM 895 OG1 THR A 151 2.460 -6.205 2.458 1.00 0.00 O ATOM 896 CG2 THR A 151 3.109 -8.332 3.396 1.00 0.00 C ATOM 0 H THR A 151 4.917 -6.264 1.731 1.00 0.00 H new ATOM 0 HA THR A 151 3.783 -8.815 0.798 1.00 0.00 H new ATOM 0 HB THR A 151 1.677 -8.019 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.430 -6.084 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.384 -8.202 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.213 -9.393 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.073 -7.932 3.709 1.00 0.00 H new ATOM 904 N PRO A 152 2.493 -7.895 -1.174 1.00 0.00 N ATOM 905 CA PRO A 152 1.899 -7.386 -2.416 1.00 0.00 C ATOM 906 C PRO A 152 0.597 -6.630 -2.164 1.00 0.00 C ATOM 907 O PRO A 152 -0.163 -6.976 -1.262 1.00 0.00 O ATOM 908 CB PRO A 152 1.636 -8.653 -3.230 1.00 0.00 C ATOM 909 CG PRO A 152 1.473 -9.728 -2.213 1.00 0.00 C ATOM 910 CD PRO A 152 2.385 -9.364 -1.074 1.00 0.00 C ATOM 0 HA PRO A 152 2.551 -6.671 -2.919 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.742 -8.550 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.464 -8.869 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.438 -9.794 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.737 -10.701 -2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.970 -9.671 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.358 -9.845 -1.170 1.00 0.00 H new ATOM 918 N LYS A 153 0.352 -5.595 -2.964 1.00 0.00 N ATOM 919 CA LYS A 153 -0.855 -4.781 -2.830 1.00 0.00 C ATOM 920 C LYS A 153 -2.100 -5.652 -2.656 1.00 0.00 C ATOM 921 O LYS A 153 -2.325 -6.588 -3.425 1.00 0.00 O ATOM 922 CB LYS A 153 -1.021 -3.885 -4.057 1.00 0.00 C ATOM 923 CG LYS A 153 0.128 -2.911 -4.262 1.00 0.00 C ATOM 924 CD LYS A 153 0.001 -2.137 -5.569 1.00 0.00 C ATOM 925 CE LYS A 153 -1.239 -1.254 -5.600 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.496 -2.048 -5.685 1.00 0.00 N ATOM 0 H LYS A 153 0.976 -5.299 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.744 -4.164 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.117 -4.512 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -1.950 -3.323 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.161 -2.210 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 153 1.071 -3.458 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 153 0.888 -1.519 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -0.035 -2.839 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -1.263 -0.634 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.180 -0.578 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.140 -1.606 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.275 -3.017 -5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.952 -2.077 -4.751 1.00 0.00 H new ATOM 940 N PRO A 154 -2.929 -5.352 -1.637 1.00 0.00 N ATOM 941 CA PRO A 154 -4.155 -6.108 -1.365 1.00 0.00 C ATOM 942 C PRO A 154 -5.290 -5.744 -2.317 1.00 0.00 C ATOM 943 O PRO A 154 -5.067 -5.514 -3.505 1.00 0.00 O ATOM 944 CB PRO A 154 -4.498 -5.700 0.066 1.00 0.00 C ATOM 945 CG PRO A 154 -3.962 -4.316 0.201 1.00 0.00 C ATOM 946 CD PRO A 154 -2.735 -4.250 -0.672 1.00 0.00 C ATOM 0 HA PRO A 154 -4.016 -7.181 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.574 -5.727 0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -4.042 -6.374 0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.702 -3.580 -0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.713 -4.095 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.654 -3.287 -1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.823 -4.383 -0.091 1.00 0.00 H new ATOM 954 N HIS A 155 -6.511 -5.693 -1.787 1.00 0.00 N ATOM 955 CA HIS A 155 -7.681 -5.357 -2.589 1.00 0.00 C ATOM 956 C HIS A 155 -8.780 -4.745 -1.725 1.00 0.00 C ATOM 957 O HIS A 155 -8.930 -5.095 -0.555 1.00 0.00 O ATOM 958 CB HIS A 155 -8.210 -6.603 -3.304 1.00 0.00 C ATOM 959 CG HIS A 155 -8.602 -7.708 -2.373 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.722 -8.296 -1.489 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.789 -8.335 -2.192 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.350 -9.237 -0.806 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.604 -9.280 -1.213 1.00 0.00 N ATOM 0 H HIS A 155 -6.713 -5.881 -0.805 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.379 -4.620 -3.333 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.073 -6.325 -3.909 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.446 -6.970 -3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.709 -8.130 -2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.911 -9.864 -0.044 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.321 -9.913 -0.858 1.00 0.00 H new ATOM 972 N CYS A 156 -9.550 -3.833 -2.313 1.00 0.00 N ATOM 973 CA CYS A 156 -10.640 -3.176 -1.599 1.00 0.00 C ATOM 974 C CYS A 156 -11.965 -3.871 -1.901 1.00 0.00 C ATOM 975 O CYS A 156 -12.213 -4.285 -3.033 1.00 0.00 O ATOM 976 CB CYS A 156 -10.722 -1.700 -1.995 1.00 0.00 C ATOM 977 SG CYS A 156 -9.200 -0.749 -1.673 1.00 0.00 S ATOM 0 H CYS A 156 -9.439 -3.533 -3.281 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.442 -3.243 -0.529 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.960 -1.634 -3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.547 -1.236 -1.454 1.00 0.00 H new ATOM 982 N GLN A 157 -12.807 -4.012 -0.880 1.00 0.00 N ATOM 983 CA GLN A 157 -14.097 -4.677 -1.044 1.00 0.00 C ATOM 984 C GLN A 157 -15.232 -3.851 -0.444 1.00 0.00 C ATOM 985 O GLN A 157 -15.050 -3.163 0.561 1.00 0.00 O ATOM 986 CB GLN A 157 -14.062 -6.061 -0.394 1.00 0.00 C ATOM 987 CG GLN A 157 -15.363 -6.834 -0.531 1.00 0.00 C ATOM 988 CD GLN A 157 -15.297 -8.205 0.113 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.066 -8.328 1.316 1.00 0.00 O ATOM 990 NE2 GLN A 157 -15.502 -9.245 -0.687 1.00 0.00 N ATOM 0 H GLN A 157 -12.621 -3.677 0.065 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.284 -4.782 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.256 -6.642 -0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.826 -5.950 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.171 -6.261 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.606 -6.944 -1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.690 -9.096 -1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.471 -10.192 -0.310 1.00 0.00 H new ATOM 999 N VAL A 158 -16.406 -3.933 -1.066 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.579 -3.209 -0.597 1.00 0.00 C ATOM 1001 C VAL A 158 -18.172 -3.903 0.620 1.00 0.00 C ATOM 1002 O VAL A 158 -18.476 -5.095 0.573 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.657 -3.113 -1.696 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -19.884 -2.373 -1.185 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -18.099 -2.436 -2.937 1.00 0.00 C ATOM 0 H VAL A 158 -16.568 -4.497 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 158 -17.259 -2.201 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.959 -4.125 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.631 -2.317 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -20.300 -2.906 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.601 -1.365 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -18.875 -2.378 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -17.764 -1.430 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -17.257 -3.013 -3.319 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.330 -3.164 1.708 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.881 -3.735 2.926 1.00 0.00 C ATOM 1017 C ASN A 159 -20.388 -3.947 2.800 1.00 0.00 C ATOM 1018 O ASN A 159 -21.069 -3.985 3.847 1.00 0.00 O ATOM 1019 CB ASN A 159 -18.571 -2.843 4.132 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.175 -1.457 4.005 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -20.391 -1.303 3.892 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -18.324 -0.437 4.027 1.00 0.00 N ATOM 1023 OXT ASN A 159 -20.874 -4.074 1.657 1.00 0.00 O ATOM 0 H ASN A 159 -18.086 -2.176 1.772 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.410 -4.706 3.080 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -18.949 -3.318 5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -17.491 -2.755 4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.671 0.519 3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.323 -0.610 4.122 1.00 0.00 H new TER 1030 ASN A 159