USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 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 16 GLN : amide:sc= 0 X(o=-0.056,f=-0.055) USER MOD Set 1.2: A 19 GLN : amide:sc= -0.0558 K(o=-0.056,f=-1.1) USER MOD Single : A 1 SER N :NH3+ -114:sc= 0.0929 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.392 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -120:sc= -0.666 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 18 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.062) USER MOD Single : A 20 SER OG : rot 30:sc= 0.278 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.14) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.88! C(o=-1.9!,f=-4.2!) USER MOD Single : A 38 SER OG : rot 60:sc= 0.549 USER MOD Single : A 42 GLN : amide:sc= 0.453 K(o=0.45,f=-1.3) USER MOD Single : A 44 HIS : no HD1:sc= -4.76 K(o=-4.8,f=-6.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.647 3.993 -7.457 1.00 0.00 N ATOM 2 CA SER A 1 15.229 4.557 -6.149 1.00 0.00 C ATOM 3 C SER A 1 14.958 3.435 -5.154 1.00 0.00 C ATOM 4 O SER A 1 14.812 2.290 -5.530 1.00 0.00 O ATOM 5 CB SER A 1 13.938 5.374 -6.322 1.00 0.00 C ATOM 6 OG SER A 1 13.626 5.814 -5.009 1.00 0.00 O ATOM 0 H1 SER A 1 16.635 4.256 -7.649 1.00 0.00 H new ATOM 0 H2 SER A 1 15.563 2.957 -7.431 1.00 0.00 H new ATOM 0 H3 SER A 1 15.036 4.371 -8.209 1.00 0.00 H new ATOM 0 HA SER A 1 16.031 5.195 -5.778 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.087 6.215 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.135 4.767 -6.740 1.00 0.00 H new ATOM 0 HG SER A 1 12.806 6.351 -5.030 1.00 0.00 H new ATOM 14 N TYR A 2 14.897 3.785 -3.895 1.00 0.00 N ATOM 15 CA TYR A 2 14.636 2.752 -2.862 1.00 0.00 C ATOM 16 C TYR A 2 13.149 2.421 -2.801 1.00 0.00 C ATOM 17 O TYR A 2 12.349 3.053 -3.462 1.00 0.00 O ATOM 18 CB TYR A 2 15.076 3.306 -1.497 1.00 0.00 C ATOM 19 CG TYR A 2 16.231 4.294 -1.692 1.00 0.00 C ATOM 20 CD1 TYR A 2 15.979 5.622 -1.974 1.00 0.00 C ATOM 21 CD2 TYR A 2 17.541 3.873 -1.574 1.00 0.00 C ATOM 22 CE1 TYR A 2 17.020 6.514 -2.135 1.00 0.00 C ATOM 23 CE2 TYR A 2 18.581 4.766 -1.734 1.00 0.00 C ATOM 24 CZ TYR A 2 18.329 6.094 -2.016 1.00 0.00 C ATOM 25 OH TYR A 2 19.371 6.987 -2.173 1.00 0.00 O ATOM 0 H TYR A 2 15.016 4.735 -3.544 1.00 0.00 H new ATOM 0 HA TYR A 2 15.190 1.847 -3.112 1.00 0.00 H new ATOM 0 HB2 TYR A 2 14.238 3.802 -1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 2 15.388 2.490 -0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 2 14.960 5.965 -2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 2 17.753 2.837 -1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 2 16.808 7.550 -2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 2 19.601 4.423 -1.638 1.00 0.00 H new ATOM 0 HH TYR A 2 20.224 6.519 -2.054 1.00 0.00 H new ATOM 35 N GLN A 3 12.806 1.428 -2.006 1.00 0.00 N ATOM 36 CA GLN A 3 11.370 1.038 -1.887 1.00 0.00 C ATOM 37 C GLN A 3 10.930 0.984 -0.428 1.00 0.00 C ATOM 38 O GLN A 3 10.443 -0.025 0.041 1.00 0.00 O ATOM 39 CB GLN A 3 11.189 -0.351 -2.516 1.00 0.00 C ATOM 40 CG GLN A 3 12.188 -1.322 -1.888 1.00 0.00 C ATOM 41 CD GLN A 3 13.156 -1.819 -2.964 1.00 0.00 C ATOM 42 OE1 GLN A 3 12.864 -2.740 -3.701 1.00 0.00 O ATOM 43 NE2 GLN A 3 14.318 -1.236 -3.090 1.00 0.00 N ATOM 0 H GLN A 3 13.456 0.880 -1.442 1.00 0.00 H new ATOM 0 HA GLN A 3 10.761 1.782 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.171 -0.705 -2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.344 -0.298 -3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.739 -0.828 -1.088 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.661 -2.164 -1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.570 -0.462 -2.475 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.974 -1.554 -3.804 1.00 0.00 H new ATOM 52 N VAL A 4 11.117 2.082 0.252 1.00 0.00 N ATOM 53 CA VAL A 4 10.728 2.160 1.683 1.00 0.00 C ATOM 54 C VAL A 4 9.738 3.304 1.870 1.00 0.00 C ATOM 55 O VAL A 4 9.847 4.097 2.783 1.00 0.00 O ATOM 56 CB VAL A 4 11.997 2.448 2.502 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.742 1.134 2.752 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.902 3.394 1.711 1.00 0.00 C ATOM 0 H VAL A 4 11.527 2.935 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 4 10.267 1.227 2.008 1.00 0.00 H new ATOM 0 HB VAL A 4 11.726 2.906 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.643 1.331 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.098 0.450 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.016 0.684 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.804 3.602 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.176 2.929 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.372 4.327 1.517 1.00 0.00 H new ATOM 68 N ILE A 5 8.781 3.359 0.987 1.00 0.00 N ATOM 69 CA ILE A 5 7.764 4.426 1.063 1.00 0.00 C ATOM 70 C ILE A 5 6.495 3.984 1.800 1.00 0.00 C ATOM 71 O ILE A 5 6.347 2.837 2.175 1.00 0.00 O ATOM 72 CB ILE A 5 7.391 4.794 -0.363 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.226 3.531 -1.193 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.527 5.637 -0.967 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.036 3.705 -2.138 1.00 0.00 C ATOM 0 H ILE A 5 8.665 2.704 0.214 1.00 0.00 H new ATOM 0 HA ILE A 5 8.183 5.265 1.618 1.00 0.00 H new ATOM 0 HB ILE A 5 6.456 5.354 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.134 3.335 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.067 2.671 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.273 5.909 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.663 6.542 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.451 5.059 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.912 2.803 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.132 3.881 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.215 4.555 -2.796 1.00 0.00 H new ATOM 87 N CYS A 6 5.603 4.929 1.984 1.00 0.00 N ATOM 88 CA CYS A 6 4.332 4.648 2.679 1.00 0.00 C ATOM 89 C CYS A 6 3.191 5.316 1.917 1.00 0.00 C ATOM 90 O CYS A 6 3.066 6.521 1.930 1.00 0.00 O ATOM 91 CB CYS A 6 4.433 5.256 4.082 1.00 0.00 C ATOM 92 SG CYS A 6 6.074 5.296 4.823 1.00 0.00 S ATOM 0 H CYS A 6 5.715 5.894 1.673 1.00 0.00 H new ATOM 0 HA CYS A 6 4.144 3.576 2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.052 6.277 4.040 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.773 4.697 4.745 1.00 0.00 H new ATOM 97 N ARG A 7 2.377 4.528 1.274 1.00 0.00 N ATOM 98 CA ARG A 7 1.250 5.116 0.510 1.00 0.00 C ATOM 99 C ARG A 7 -0.004 5.299 1.357 1.00 0.00 C ATOM 100 O ARG A 7 -0.584 4.344 1.832 1.00 0.00 O ATOM 101 CB ARG A 7 0.922 4.157 -0.638 1.00 0.00 C ATOM 102 CG ARG A 7 -0.106 4.810 -1.564 1.00 0.00 C ATOM 103 CD ARG A 7 -0.169 4.027 -2.876 1.00 0.00 C ATOM 104 NE ARG A 7 -0.286 2.576 -2.567 1.00 0.00 N ATOM 105 CZ ARG A 7 -1.257 1.883 -3.098 1.00 0.00 C ATOM 106 NH1 ARG A 7 -1.333 1.796 -4.399 1.00 0.00 N ATOM 107 NH2 ARG A 7 -2.119 1.302 -2.311 1.00 0.00 N ATOM 0 H ARG A 7 2.444 3.511 1.246 1.00 0.00 H new ATOM 0 HA ARG A 7 1.553 6.103 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.827 3.914 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.530 3.220 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.086 4.824 -1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.168 5.847 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.022 4.356 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.725 4.215 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 7 0.387 2.127 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.641 2.265 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.085 1.259 -4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.028 1.393 -1.299 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.884 0.756 -2.707 1.00 0.00 H new ATOM 121 N ASP A 8 -0.396 6.538 1.526 1.00 0.00 N ATOM 122 CA ASP A 8 -1.609 6.822 2.332 1.00 0.00 C ATOM 123 C ASP A 8 -2.809 7.000 1.399 1.00 0.00 C ATOM 124 O ASP A 8 -2.900 7.982 0.683 1.00 0.00 O ATOM 125 CB ASP A 8 -1.382 8.119 3.119 1.00 0.00 C ATOM 126 CG ASP A 8 -2.418 8.224 4.242 1.00 0.00 C ATOM 127 OD1 ASP A 8 -2.206 7.555 5.241 1.00 0.00 O ATOM 128 OD2 ASP A 8 -3.363 8.969 4.038 1.00 0.00 O ATOM 0 H ASP A 8 0.073 7.357 1.140 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.803 5.997 3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.375 8.132 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.462 8.979 2.454 1.00 0.00 H new ATOM 133 N GLU A 9 -3.704 6.044 1.425 1.00 0.00 N ATOM 134 CA GLU A 9 -4.900 6.129 0.551 1.00 0.00 C ATOM 135 C GLU A 9 -5.949 7.070 1.123 1.00 0.00 C ATOM 136 O GLU A 9 -7.005 7.246 0.546 1.00 0.00 O ATOM 137 CB GLU A 9 -5.504 4.730 0.447 1.00 0.00 C ATOM 138 CG GLU A 9 -6.005 4.304 1.822 1.00 0.00 C ATOM 139 CD GLU A 9 -6.254 2.795 1.824 1.00 0.00 C ATOM 140 OE1 GLU A 9 -7.324 2.422 1.370 1.00 0.00 O ATOM 141 OE2 GLU A 9 -5.360 2.100 2.277 1.00 0.00 O ATOM 0 H GLU A 9 -3.653 5.213 2.014 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.597 6.514 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.324 4.726 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.758 4.024 0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.272 4.564 2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.924 4.836 2.068 1.00 0.00 H new ATOM 148 N LYS A 10 -5.652 7.657 2.241 1.00 0.00 N ATOM 149 CA LYS A 10 -6.633 8.585 2.849 1.00 0.00 C ATOM 150 C LYS A 10 -6.503 9.959 2.226 1.00 0.00 C ATOM 151 O LYS A 10 -7.331 10.827 2.427 1.00 0.00 O ATOM 152 CB LYS A 10 -6.344 8.679 4.347 1.00 0.00 C ATOM 153 CG LYS A 10 -7.557 8.156 5.128 1.00 0.00 C ATOM 154 CD LYS A 10 -7.715 6.652 4.866 1.00 0.00 C ATOM 155 CE LYS A 10 -9.154 6.364 4.413 1.00 0.00 C ATOM 156 NZ LYS A 10 -9.346 4.903 4.191 1.00 0.00 N ATOM 0 H LYS A 10 -4.780 7.536 2.757 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.644 8.216 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.457 8.096 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.135 9.712 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.425 8.340 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.458 8.687 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.009 6.328 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.486 6.088 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.857 6.719 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.369 6.909 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.324 4.724 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.688 4.574 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.161 4.390 5.077 1.00 0.00 H new ATOM 170 N THR A 11 -5.456 10.128 1.482 1.00 0.00 N ATOM 171 CA THR A 11 -5.219 11.430 0.814 1.00 0.00 C ATOM 172 C THR A 11 -4.540 11.191 -0.523 1.00 0.00 C ATOM 173 O THR A 11 -4.501 12.060 -1.371 1.00 0.00 O ATOM 174 CB THR A 11 -4.303 12.289 1.696 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.290 12.764 0.833 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.560 11.427 2.723 1.00 0.00 C ATOM 0 H THR A 11 -4.748 9.416 1.306 1.00 0.00 H new ATOM 0 HA THR A 11 -6.169 11.941 0.658 1.00 0.00 H new ATOM 0 HB THR A 11 -4.893 13.055 2.199 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.667 13.326 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.918 12.061 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.282 10.919 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.950 10.687 2.204 1.00 0.00 H new ATOM 184 N GLN A 12 -4.011 10.000 -0.675 1.00 0.00 N ATOM 185 CA GLN A 12 -3.319 9.643 -1.938 1.00 0.00 C ATOM 186 C GLN A 12 -1.947 10.273 -1.974 1.00 0.00 C ATOM 187 O GLN A 12 -1.476 10.684 -3.016 1.00 0.00 O ATOM 188 CB GLN A 12 -4.140 10.162 -3.131 1.00 0.00 C ATOM 189 CG GLN A 12 -3.963 9.208 -4.314 1.00 0.00 C ATOM 190 CD GLN A 12 -4.676 9.785 -5.541 1.00 0.00 C ATOM 191 OE1 GLN A 12 -5.874 9.650 -5.695 1.00 0.00 O ATOM 192 NE2 GLN A 12 -3.979 10.433 -6.435 1.00 0.00 N ATOM 0 H GLN A 12 -4.033 9.262 0.029 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.219 8.559 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.193 10.233 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.813 11.165 -3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.903 9.068 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.371 8.227 -4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.973 10.550 -6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.440 10.823 -7.257 1.00 0.00 H new ATOM 201 N MET A 13 -1.331 10.334 -0.820 1.00 0.00 N ATOM 202 CA MET A 13 0.019 10.930 -0.732 1.00 0.00 C ATOM 203 C MET A 13 1.012 9.922 -0.176 1.00 0.00 C ATOM 204 O MET A 13 0.732 9.247 0.795 1.00 0.00 O ATOM 205 CB MET A 13 -0.052 12.127 0.216 1.00 0.00 C ATOM 206 CG MET A 13 1.140 13.041 -0.051 1.00 0.00 C ATOM 207 SD MET A 13 0.910 14.376 -1.254 1.00 0.00 S ATOM 208 CE MET A 13 2.607 15.007 -1.230 1.00 0.00 C ATOM 0 H MET A 13 -1.713 9.993 0.062 1.00 0.00 H new ATOM 0 HA MET A 13 0.348 11.234 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.985 12.671 0.067 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.043 11.788 1.252 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.441 13.489 0.896 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.971 12.422 -0.389 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.691 15.851 -1.915 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.860 15.332 -0.221 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.293 14.218 -1.540 1.00 0.00 H new ATOM 218 N ILE A 14 2.158 9.841 -0.799 1.00 0.00 N ATOM 219 CA ILE A 14 3.182 8.885 -0.329 1.00 0.00 C ATOM 220 C ILE A 14 4.259 9.572 0.510 1.00 0.00 C ATOM 221 O ILE A 14 4.594 10.718 0.283 1.00 0.00 O ATOM 222 CB ILE A 14 3.832 8.268 -1.560 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.744 7.842 -2.539 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.631 7.028 -1.122 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.341 6.920 -3.601 1.00 0.00 C ATOM 0 H ILE A 14 2.422 10.398 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 14 2.705 8.133 0.299 1.00 0.00 H new ATOM 0 HB ILE A 14 4.492 8.991 -2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.943 7.329 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.302 8.719 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.104 6.573 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.398 7.324 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.958 6.307 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.561 6.617 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.127 7.448 -4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.762 6.036 -3.121 1.00 0.00 H new ATOM 237 N TYR A 15 4.776 8.844 1.470 1.00 0.00 N ATOM 238 CA TYR A 15 5.832 9.407 2.349 1.00 0.00 C ATOM 239 C TYR A 15 6.948 8.384 2.565 1.00 0.00 C ATOM 240 O TYR A 15 6.802 7.228 2.227 1.00 0.00 O ATOM 241 CB TYR A 15 5.204 9.732 3.710 1.00 0.00 C ATOM 242 CG TYR A 15 3.964 10.603 3.513 1.00 0.00 C ATOM 243 CD1 TYR A 15 4.091 11.963 3.351 1.00 0.00 C ATOM 244 CD2 TYR A 15 2.701 10.043 3.531 1.00 0.00 C ATOM 245 CE1 TYR A 15 2.974 12.759 3.211 1.00 0.00 C ATOM 246 CE2 TYR A 15 1.583 10.838 3.392 1.00 0.00 C ATOM 247 CZ TYR A 15 1.711 12.204 3.233 1.00 0.00 C ATOM 248 OH TYR A 15 0.594 13.005 3.121 1.00 0.00 O ATOM 0 H TYR A 15 4.507 7.882 1.678 1.00 0.00 H new ATOM 0 HA TYR A 15 6.249 10.300 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.934 8.810 4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.927 10.250 4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.074 12.411 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.589 8.976 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.089 13.825 3.083 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.601 10.390 3.408 1.00 0.00 H new ATOM 0 HH TYR A 15 0.038 12.905 3.922 1.00 0.00 H new ATOM 258 N GLN A 16 8.043 8.832 3.124 1.00 0.00 N ATOM 259 CA GLN A 16 9.170 7.901 3.368 1.00 0.00 C ATOM 260 C GLN A 16 9.008 7.191 4.704 1.00 0.00 C ATOM 261 O GLN A 16 8.017 7.357 5.386 1.00 0.00 O ATOM 262 CB GLN A 16 10.469 8.718 3.400 1.00 0.00 C ATOM 263 CG GLN A 16 10.550 9.586 2.144 1.00 0.00 C ATOM 264 CD GLN A 16 11.996 10.050 1.944 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.542 10.779 2.748 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.648 9.652 0.887 1.00 0.00 N ATOM 0 H GLN A 16 8.199 9.796 3.418 1.00 0.00 H new ATOM 0 HA GLN A 16 9.192 7.153 2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.496 9.345 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.330 8.052 3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.213 9.021 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.889 10.447 2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.195 9.040 0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.611 9.953 0.739 1.00 0.00 H new ATOM 275 N GLN A 17 9.990 6.412 5.048 1.00 0.00 N ATOM 276 CA GLN A 17 9.928 5.674 6.335 1.00 0.00 C ATOM 277 C GLN A 17 10.126 6.621 7.517 1.00 0.00 C ATOM 278 O GLN A 17 10.746 7.658 7.388 1.00 0.00 O ATOM 279 CB GLN A 17 11.057 4.630 6.344 1.00 0.00 C ATOM 280 CG GLN A 17 10.488 3.274 6.777 1.00 0.00 C ATOM 281 CD GLN A 17 11.640 2.340 7.155 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.511 2.054 6.357 1.00 0.00 O ATOM 283 NE2 GLN A 17 11.682 1.843 8.362 1.00 0.00 N ATOM 0 H GLN A 17 10.832 6.254 4.495 1.00 0.00 H new ATOM 0 HA GLN A 17 8.950 5.201 6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.503 4.551 5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.849 4.940 7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.816 3.403 7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.901 2.838 5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.954 2.079 9.036 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.443 1.219 8.630 1.00 0.00 H new ATOM 292 N HIS A 18 9.594 6.246 8.654 1.00 0.00 N ATOM 293 CA HIS A 18 9.744 7.112 9.852 1.00 0.00 C ATOM 294 C HIS A 18 9.407 8.563 9.521 1.00 0.00 C ATOM 295 O HIS A 18 9.821 9.475 10.210 1.00 0.00 O ATOM 296 CB HIS A 18 11.200 7.019 10.336 1.00 0.00 C ATOM 297 CG HIS A 18 11.242 6.422 11.756 1.00 0.00 C ATOM 298 ND1 HIS A 18 12.043 6.773 12.650 1.00 0.00 N ATOM 299 CD2 HIS A 18 10.463 5.425 12.334 1.00 0.00 C ATOM 300 CE1 HIS A 18 11.864 6.116 13.720 1.00 0.00 C ATOM 301 NE2 HIS A 18 10.875 5.229 13.616 1.00 0.00 N ATOM 0 H HIS A 18 9.068 5.384 8.799 1.00 0.00 H new ATOM 0 HA HIS A 18 9.058 6.775 10.629 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.781 6.398 9.654 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.657 8.008 10.334 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.661 4.893 11.844 1.00 0.00 H new ATOM 0 HE1 HIS A 18 12.449 6.260 14.617 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.520 4.575 14.314 1.00 0.00 H new ATOM 309 N GLN A 19 8.655 8.748 8.468 1.00 0.00 N ATOM 310 CA GLN A 19 8.275 10.126 8.072 1.00 0.00 C ATOM 311 C GLN A 19 6.909 10.478 8.655 1.00 0.00 C ATOM 312 O GLN A 19 5.991 9.687 8.597 1.00 0.00 O ATOM 313 CB GLN A 19 8.205 10.188 6.538 1.00 0.00 C ATOM 314 CG GLN A 19 8.149 11.652 6.098 1.00 0.00 C ATOM 315 CD GLN A 19 9.537 12.091 5.626 1.00 0.00 C ATOM 316 OE1 GLN A 19 9.966 11.768 4.536 1.00 0.00 O ATOM 317 NE2 GLN A 19 10.272 12.824 6.418 1.00 0.00 N ATOM 0 H GLN A 19 8.291 8.005 7.871 1.00 0.00 H new ATOM 0 HA GLN A 19 9.012 10.835 8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.075 9.697 6.102 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.325 9.654 6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.423 11.775 5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.818 12.280 6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.917 13.098 7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.201 13.122 6.121 1.00 0.00 H new ATOM 326 N SER A 20 6.797 11.663 9.201 1.00 0.00 N ATOM 327 CA SER A 20 5.498 12.075 9.794 1.00 0.00 C ATOM 328 C SER A 20 4.669 12.942 8.856 1.00 0.00 C ATOM 329 O SER A 20 5.176 13.842 8.217 1.00 0.00 O ATOM 330 CB SER A 20 5.795 12.889 11.057 1.00 0.00 C ATOM 331 OG SER A 20 6.620 13.951 10.600 1.00 0.00 O ATOM 0 H SER A 20 7.545 12.354 9.260 1.00 0.00 H new ATOM 0 HA SER A 20 4.924 11.172 10.003 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.879 13.264 11.514 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.303 12.286 11.810 1.00 0.00 H new ATOM 0 HG SER A 20 6.394 14.164 9.671 1.00 0.00 H new ATOM 337 N TRP A 21 3.395 12.641 8.797 1.00 0.00 N ATOM 338 CA TRP A 21 2.487 13.423 7.918 1.00 0.00 C ATOM 339 C TRP A 21 1.092 13.508 8.541 1.00 0.00 C ATOM 340 O TRP A 21 0.463 12.505 8.809 1.00 0.00 O ATOM 341 CB TRP A 21 2.420 12.764 6.515 1.00 0.00 C ATOM 342 CG TRP A 21 1.528 11.500 6.505 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.221 11.516 6.243 1.00 0.00 C ATOM 344 CD2 TRP A 21 1.979 10.251 6.568 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.103 10.212 6.130 1.00 0.00 N ATOM 346 CE2 TRP A 21 0.957 9.344 6.320 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.258 9.774 6.824 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.213 7.984 6.317 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.507 8.410 6.823 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.490 7.519 6.568 1.00 0.00 C ATOM 0 H TRP A 21 2.950 11.887 9.321 1.00 0.00 H new ATOM 0 HA TRP A 21 2.876 14.436 7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.033 13.485 5.795 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.427 12.499 6.192 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.428 12.374 6.144 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.049 9.893 5.922 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.061 10.468 7.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.414 7.285 6.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.504 8.045 7.023 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.689 6.458 6.564 1.00 0.00 H new ATOM 361 N LEU A 22 0.643 14.724 8.761 1.00 0.00 N ATOM 362 CA LEU A 22 -0.699 14.932 9.367 1.00 0.00 C ATOM 363 C LEU A 22 -1.821 14.762 8.344 1.00 0.00 C ATOM 364 O LEU A 22 -1.591 14.738 7.151 1.00 0.00 O ATOM 365 CB LEU A 22 -0.763 16.385 9.900 1.00 0.00 C ATOM 366 CG LEU A 22 0.017 16.532 11.229 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.804 15.949 12.387 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.367 15.805 11.142 1.00 0.00 C ATOM 0 H LEU A 22 1.155 15.579 8.544 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.835 14.193 10.156 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.350 17.066 9.156 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.803 16.673 10.053 1.00 0.00 H new ATOM 0 HG LEU A 22 0.196 17.592 11.409 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.247 16.057 13.318 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.751 16.483 12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.998 14.893 12.200 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.903 15.918 12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.198 14.746 10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.960 16.234 10.334 1.00 0.00 H new ATOM 380 N ARG A 23 -3.024 14.651 8.849 1.00 0.00 N ATOM 381 CA ARG A 23 -4.198 14.483 7.957 1.00 0.00 C ATOM 382 C ARG A 23 -5.413 15.243 8.544 1.00 0.00 C ATOM 383 O ARG A 23 -5.449 15.521 9.726 1.00 0.00 O ATOM 384 CB ARG A 23 -4.520 12.975 7.884 1.00 0.00 C ATOM 385 CG ARG A 23 -3.908 12.384 6.606 1.00 0.00 C ATOM 386 CD ARG A 23 -3.667 10.889 6.814 1.00 0.00 C ATOM 387 NE ARG A 23 -4.928 10.255 7.288 1.00 0.00 N ATOM 388 CZ ARG A 23 -4.867 9.162 7.998 1.00 0.00 C ATOM 389 NH1 ARG A 23 -4.385 9.224 9.209 1.00 0.00 N ATOM 390 NH2 ARG A 23 -5.287 8.044 7.473 1.00 0.00 N ATOM 0 H ARG A 23 -3.238 14.670 9.846 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.983 14.880 6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.122 12.464 8.761 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.599 12.822 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.577 12.543 5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.970 12.887 6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.341 10.427 5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.871 10.734 7.542 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.831 10.671 7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.064 10.116 9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.329 8.380 9.780 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.656 8.034 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.247 7.180 8.014 1.00 0.00 H new ATOM 404 N PRO A 24 -6.393 15.567 7.701 1.00 0.00 N ATOM 405 CA PRO A 24 -7.585 16.288 8.160 1.00 0.00 C ATOM 406 C PRO A 24 -8.227 15.626 9.378 1.00 0.00 C ATOM 407 O PRO A 24 -7.853 14.538 9.772 1.00 0.00 O ATOM 408 CB PRO A 24 -8.560 16.246 6.966 1.00 0.00 C ATOM 409 CG PRO A 24 -7.802 15.587 5.773 1.00 0.00 C ATOM 410 CD PRO A 24 -6.388 15.233 6.268 1.00 0.00 C ATOM 0 HA PRO A 24 -7.330 17.302 8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.452 15.673 7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.890 17.251 6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.325 14.693 5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.752 16.270 4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.167 14.178 6.109 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.628 15.802 5.732 1.00 0.00 H new ATOM 418 N VAL A 25 -9.190 16.306 9.951 1.00 0.00 N ATOM 419 CA VAL A 25 -9.875 15.751 11.143 1.00 0.00 C ATOM 420 C VAL A 25 -11.003 14.812 10.742 1.00 0.00 C ATOM 421 O VAL A 25 -11.308 14.665 9.575 1.00 0.00 O ATOM 422 CB VAL A 25 -10.465 16.927 11.956 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.567 18.162 11.797 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.868 17.264 11.445 1.00 0.00 C ATOM 0 H VAL A 25 -9.525 17.218 9.641 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.154 15.186 11.734 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.519 16.639 13.006 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.983 18.991 12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.566 17.934 12.163 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.513 18.440 10.744 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.276 18.093 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.814 17.546 10.394 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.514 16.393 11.554 1.00 0.00 H new ATOM 434 N LEU A 26 -11.602 14.192 11.722 1.00 0.00 N ATOM 435 CA LEU A 26 -12.709 13.263 11.423 1.00 0.00 C ATOM 436 C LEU A 26 -14.043 13.998 11.382 1.00 0.00 C ATOM 437 O LEU A 26 -14.562 14.280 10.319 1.00 0.00 O ATOM 438 CB LEU A 26 -12.764 12.183 12.521 1.00 0.00 C ATOM 439 CG LEU A 26 -12.239 12.750 13.844 1.00 0.00 C ATOM 440 CD1 LEU A 26 -12.916 12.015 15.003 1.00 0.00 C ATOM 441 CD2 LEU A 26 -10.726 12.527 13.926 1.00 0.00 C ATOM 0 H LEU A 26 -11.369 14.293 12.710 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.532 12.811 10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.789 11.834 12.647 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.167 11.320 12.224 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.456 13.817 13.900 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.549 12.412 15.949 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.995 12.158 14.944 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.687 10.951 14.942 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.349 12.929 14.866 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.512 11.459 13.877 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.238 13.033 13.093 1.00 0.00 H new ATOM 453 N ARG A 27 -14.572 14.293 12.543 1.00 0.00 N ATOM 454 CA ARG A 27 -15.874 15.010 12.605 1.00 0.00 C ATOM 455 C ARG A 27 -15.794 16.195 13.559 1.00 0.00 C ATOM 456 O ARG A 27 -16.597 17.106 13.490 1.00 0.00 O ATOM 457 CB ARG A 27 -16.936 14.035 13.135 1.00 0.00 C ATOM 458 CG ARG A 27 -16.988 12.802 12.233 1.00 0.00 C ATOM 459 CD ARG A 27 -18.219 11.972 12.596 1.00 0.00 C ATOM 460 NE ARG A 27 -19.442 12.760 12.276 1.00 0.00 N ATOM 461 CZ ARG A 27 -20.086 12.522 11.166 1.00 0.00 C ATOM 462 NH1 ARG A 27 -19.688 13.108 10.070 1.00 0.00 N ATOM 463 NH2 ARG A 27 -21.107 11.710 11.191 1.00 0.00 N ATOM 0 H ARG A 27 -14.157 14.067 13.447 1.00 0.00 H new ATOM 0 HA ARG A 27 -16.127 15.373 11.609 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.698 13.742 14.157 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.911 14.521 13.162 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -17.032 13.103 11.186 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -16.083 12.207 12.356 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -18.219 11.034 12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -18.202 11.715 13.655 1.00 0.00 H new ATOM 0 HE ARG A 27 -19.773 13.479 12.919 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -18.887 13.739 10.091 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -20.178 12.935 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -21.390 11.273 12.068 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -21.622 11.512 10.333 1.00 0.00 H new ATOM 477 N SER A 28 -14.825 16.163 14.431 1.00 0.00 N ATOM 478 CA SER A 28 -14.675 17.272 15.394 1.00 0.00 C ATOM 479 C SER A 28 -13.681 18.310 14.890 1.00 0.00 C ATOM 480 O SER A 28 -13.937 19.003 13.926 1.00 0.00 O ATOM 481 CB SER A 28 -14.145 16.685 16.706 1.00 0.00 C ATOM 482 OG SER A 28 -15.239 15.943 17.223 1.00 0.00 O ATOM 0 H SER A 28 -14.136 15.416 14.513 1.00 0.00 H new ATOM 0 HA SER A 28 -15.640 17.759 15.530 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.277 16.048 16.535 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.834 17.469 17.396 1.00 0.00 H new ATOM 0 HG SER A 28 -14.980 15.528 18.072 1.00 0.00 H new ATOM 488 N ASN A 29 -12.564 18.397 15.557 1.00 0.00 N ATOM 489 CA ASN A 29 -11.537 19.381 15.137 1.00 0.00 C ATOM 490 C ASN A 29 -10.138 18.890 15.488 1.00 0.00 C ATOM 491 O ASN A 29 -9.196 19.657 15.514 1.00 0.00 O ATOM 492 CB ASN A 29 -11.795 20.700 15.880 1.00 0.00 C ATOM 493 CG ASN A 29 -11.182 21.853 15.083 1.00 0.00 C ATOM 494 OD1 ASN A 29 -10.006 22.135 15.186 1.00 0.00 O ATOM 495 ND2 ASN A 29 -11.944 22.541 14.278 1.00 0.00 N ATOM 0 H ASN A 29 -12.322 17.831 16.370 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.599 19.518 14.057 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.866 20.857 16.005 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.360 20.660 16.879 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.551 23.312 13.738 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.933 22.308 14.188 1.00 0.00 H new ATOM 502 N ARG A 30 -10.027 17.616 15.753 1.00 0.00 N ATOM 503 CA ARG A 30 -8.703 17.057 16.104 1.00 0.00 C ATOM 504 C ARG A 30 -7.858 16.867 14.856 1.00 0.00 C ATOM 505 O ARG A 30 -8.361 16.924 13.764 1.00 0.00 O ATOM 506 CB ARG A 30 -8.929 15.691 16.749 1.00 0.00 C ATOM 507 CG ARG A 30 -9.805 15.863 17.985 1.00 0.00 C ATOM 508 CD ARG A 30 -9.363 14.861 19.045 1.00 0.00 C ATOM 509 NE ARG A 30 -10.458 14.689 20.039 1.00 0.00 N ATOM 510 CZ ARG A 30 -10.248 13.973 21.110 1.00 0.00 C ATOM 511 NH1 ARG A 30 -9.423 12.964 21.042 1.00 0.00 N ATOM 512 NH2 ARG A 30 -10.873 14.287 22.212 1.00 0.00 N ATOM 0 H ARG A 30 -10.796 16.946 15.740 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.186 17.738 16.780 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.407 15.015 16.040 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.974 15.242 17.024 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.721 16.880 18.369 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.853 15.705 17.730 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.122 13.904 18.581 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.457 15.212 19.540 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.366 15.128 19.884 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.955 12.746 20.162 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.246 12.393 21.869 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.513 15.081 22.227 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.721 13.739 23.058 1.00 0.00 H new ATOM 526 N VAL A 31 -6.588 16.637 15.046 1.00 0.00 N ATOM 527 CA VAL A 31 -5.692 16.438 13.868 1.00 0.00 C ATOM 528 C VAL A 31 -5.264 14.983 13.769 1.00 0.00 C ATOM 529 O VAL A 31 -4.939 14.363 14.763 1.00 0.00 O ATOM 530 CB VAL A 31 -4.433 17.310 14.049 1.00 0.00 C ATOM 531 CG1 VAL A 31 -4.772 18.765 13.712 1.00 0.00 C ATOM 532 CG2 VAL A 31 -3.962 17.227 15.500 1.00 0.00 C ATOM 0 H VAL A 31 -6.133 16.578 15.957 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.229 16.717 12.961 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.644 16.953 13.387 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.884 19.384 13.839 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.114 18.829 12.679 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.559 19.119 14.378 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.072 17.843 15.629 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.751 17.587 16.160 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.726 16.192 15.747 1.00 0.00 H new ATOM 542 N GLU A 32 -5.262 14.457 12.573 1.00 0.00 N ATOM 543 CA GLU A 32 -4.853 13.051 12.422 1.00 0.00 C ATOM 544 C GLU A 32 -3.360 12.985 12.235 1.00 0.00 C ATOM 545 O GLU A 32 -2.833 13.363 11.207 1.00 0.00 O ATOM 546 CB GLU A 32 -5.536 12.459 11.187 1.00 0.00 C ATOM 547 CG GLU A 32 -6.958 12.030 11.556 1.00 0.00 C ATOM 548 CD GLU A 32 -7.620 11.371 10.345 1.00 0.00 C ATOM 549 OE1 GLU A 32 -6.868 10.932 9.490 1.00 0.00 O ATOM 550 OE2 GLU A 32 -8.840 11.342 10.342 1.00 0.00 O ATOM 0 H GLU A 32 -5.523 14.939 11.713 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.140 12.489 13.311 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.562 13.195 10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.969 11.604 10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.934 11.334 12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.539 12.895 11.876 1.00 0.00 H new ATOM 557 N TYR A 33 -2.706 12.507 13.233 1.00 0.00 N ATOM 558 CA TYR A 33 -1.251 12.397 13.171 1.00 0.00 C ATOM 559 C TYR A 33 -0.855 11.023 12.731 1.00 0.00 C ATOM 560 O TYR A 33 -1.285 10.044 13.308 1.00 0.00 O ATOM 561 CB TYR A 33 -0.735 12.617 14.599 1.00 0.00 C ATOM 562 CG TYR A 33 0.736 13.060 14.607 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.733 12.249 14.084 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.095 14.243 15.214 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.050 12.614 14.181 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.416 14.605 15.309 1.00 0.00 C ATOM 567 CZ TYR A 33 3.405 13.796 14.793 1.00 0.00 C ATOM 568 OH TYR A 33 4.731 14.161 14.894 1.00 0.00 O ATOM 0 H TYR A 33 -3.128 12.183 14.103 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.842 13.122 12.467 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.346 13.372 15.095 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.841 11.695 15.171 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.469 11.322 13.596 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.331 14.891 15.618 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.816 11.970 13.774 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.683 15.533 15.793 1.00 0.00 H new ATOM 0 HH TYR A 33 4.799 15.024 15.353 1.00 0.00 H new ATOM 578 N CYS A 34 -0.043 10.947 11.715 1.00 0.00 N ATOM 579 CA CYS A 34 0.370 9.620 11.263 1.00 0.00 C ATOM 580 C CYS A 34 1.748 9.620 10.673 1.00 0.00 C ATOM 581 O CYS A 34 2.108 10.474 9.890 1.00 0.00 O ATOM 582 CB CYS A 34 -0.626 9.067 10.235 1.00 0.00 C ATOM 583 SG CYS A 34 -0.541 7.280 9.917 1.00 0.00 S ATOM 0 H CYS A 34 0.339 11.738 11.196 1.00 0.00 H new ATOM 0 HA CYS A 34 0.384 8.980 12.145 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.635 9.308 10.571 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.471 9.591 9.292 1.00 0.00 H new ATOM 588 N TRP A 35 2.493 8.636 11.073 1.00 0.00 N ATOM 589 CA TRP A 35 3.869 8.497 10.587 1.00 0.00 C ATOM 590 C TRP A 35 4.158 7.043 10.266 1.00 0.00 C ATOM 591 O TRP A 35 3.498 6.162 10.758 1.00 0.00 O ATOM 592 CB TRP A 35 4.814 8.941 11.700 1.00 0.00 C ATOM 593 CG TRP A 35 5.196 7.713 12.523 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.239 6.964 12.253 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.535 7.256 13.566 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.202 6.006 13.185 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.145 6.117 14.068 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.382 7.733 14.171 1.00 0.00 C ATOM 599 CZ2 TRP A 35 4.613 5.467 15.161 1.00 0.00 C ATOM 600 CZ3 TRP A 35 2.853 7.078 15.266 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.468 5.946 15.759 1.00 0.00 C ATOM 0 H TRP A 35 2.193 7.914 11.728 1.00 0.00 H new ATOM 0 HA TRP A 35 4.005 9.102 9.690 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.704 9.408 11.278 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.332 9.687 12.332 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.961 7.092 11.460 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.894 5.258 13.239 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.897 8.618 13.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.094 4.581 15.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.956 7.453 15.737 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.052 5.435 16.614 1.00 0.00 H new ATOM 612 N CYS A 36 5.148 6.820 9.463 1.00 0.00 N ATOM 613 CA CYS A 36 5.494 5.421 9.097 1.00 0.00 C ATOM 614 C CYS A 36 6.374 4.739 10.150 1.00 0.00 C ATOM 615 O CYS A 36 7.512 5.099 10.329 1.00 0.00 O ATOM 616 CB CYS A 36 6.277 5.469 7.796 1.00 0.00 C ATOM 617 SG CYS A 36 5.858 4.265 6.533 1.00 0.00 S ATOM 0 H CYS A 36 5.735 7.541 9.042 1.00 0.00 H new ATOM 0 HA CYS A 36 4.568 4.851 9.014 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.155 6.463 7.367 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.334 5.352 8.035 1.00 0.00 H new ATOM 622 N ASN A 37 5.841 3.760 10.821 1.00 0.00 N ATOM 623 CA ASN A 37 6.665 3.075 11.846 1.00 0.00 C ATOM 624 C ASN A 37 7.507 1.978 11.201 1.00 0.00 C ATOM 625 O ASN A 37 8.426 1.460 11.802 1.00 0.00 O ATOM 626 CB ASN A 37 5.729 2.441 12.887 1.00 0.00 C ATOM 627 CG ASN A 37 6.556 1.613 13.875 1.00 0.00 C ATOM 628 OD1 ASN A 37 7.086 0.571 13.539 1.00 0.00 O ATOM 629 ND2 ASN A 37 6.692 2.039 15.101 1.00 0.00 N ATOM 0 H ASN A 37 4.889 3.411 10.707 1.00 0.00 H new ATOM 0 HA ASN A 37 7.328 3.800 12.318 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.178 3.217 13.418 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.992 1.808 12.392 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.240 1.499 15.771 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.250 2.912 15.390 1.00 0.00 H new ATOM 636 N SER A 38 7.178 1.647 9.977 1.00 0.00 N ATOM 637 CA SER A 38 7.946 0.588 9.275 1.00 0.00 C ATOM 638 C SER A 38 7.460 0.426 7.835 1.00 0.00 C ATOM 639 O SER A 38 8.151 -0.127 7.001 1.00 0.00 O ATOM 640 CB SER A 38 7.736 -0.735 10.023 1.00 0.00 C ATOM 641 OG SER A 38 8.997 -1.003 10.618 1.00 0.00 O ATOM 0 H SER A 38 6.416 2.064 9.442 1.00 0.00 H new ATOM 0 HA SER A 38 9.000 0.864 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.952 -0.647 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.438 -1.534 9.344 1.00 0.00 H new ATOM 0 HG SER A 38 9.238 -0.267 11.218 1.00 0.00 H new ATOM 647 N GLY A 39 6.276 0.913 7.575 1.00 0.00 N ATOM 648 CA GLY A 39 5.714 0.801 6.195 1.00 0.00 C ATOM 649 C GLY A 39 4.220 0.493 6.272 1.00 0.00 C ATOM 650 O GLY A 39 3.615 0.077 5.303 1.00 0.00 O ATOM 0 H GLY A 39 5.675 1.381 8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.876 1.731 5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.230 0.014 5.645 1.00 0.00 H new ATOM 654 N ARG A 40 3.666 0.712 7.437 1.00 0.00 N ATOM 655 CA ARG A 40 2.218 0.451 7.642 1.00 0.00 C ATOM 656 C ARG A 40 1.496 1.728 8.042 1.00 0.00 C ATOM 657 O ARG A 40 0.345 1.701 8.429 1.00 0.00 O ATOM 658 CB ARG A 40 2.082 -0.559 8.790 1.00 0.00 C ATOM 659 CG ARG A 40 2.744 0.023 10.045 1.00 0.00 C ATOM 660 CD ARG A 40 2.869 -1.074 11.103 1.00 0.00 C ATOM 661 NE ARG A 40 1.518 -1.622 11.395 1.00 0.00 N ATOM 662 CZ ARG A 40 1.386 -2.536 12.313 1.00 0.00 C ATOM 663 NH1 ARG A 40 2.115 -3.617 12.236 1.00 0.00 N ATOM 664 NH2 ARG A 40 0.531 -2.341 13.279 1.00 0.00 N ATOM 0 H ARG A 40 4.161 1.062 8.257 1.00 0.00 H new ATOM 0 HA ARG A 40 1.782 0.072 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.030 -0.771 8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.553 -1.504 8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.728 0.422 9.800 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.151 0.852 10.432 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.528 -1.866 10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.316 -0.671 12.012 1.00 0.00 H new ATOM 0 HE ARG A 40 0.703 -1.286 10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.774 -3.734 11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.026 -4.344 12.946 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.021 -1.484 13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.414 -3.046 14.007 1.00 0.00 H new ATOM 678 N ALA A 41 2.188 2.826 7.942 1.00 0.00 N ATOM 679 CA ALA A 41 1.563 4.114 8.312 1.00 0.00 C ATOM 680 C ALA A 41 0.915 4.023 9.684 1.00 0.00 C ATOM 681 O ALA A 41 -0.216 3.600 9.816 1.00 0.00 O ATOM 682 CB ALA A 41 0.483 4.455 7.278 1.00 0.00 C ATOM 0 H ALA A 41 3.155 2.883 7.621 1.00 0.00 H new ATOM 0 HA ALA A 41 2.333 4.885 8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.015 5.404 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.937 4.536 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.272 3.668 7.267 1.00 0.00 H new ATOM 688 N GLN A 42 1.647 4.424 10.681 1.00 0.00 N ATOM 689 CA GLN A 42 1.102 4.374 12.059 1.00 0.00 C ATOM 690 C GLN A 42 0.380 5.679 12.358 1.00 0.00 C ATOM 691 O GLN A 42 0.922 6.730 12.114 1.00 0.00 O ATOM 692 CB GLN A 42 2.292 4.217 13.020 1.00 0.00 C ATOM 693 CG GLN A 42 1.907 3.264 14.149 1.00 0.00 C ATOM 694 CD GLN A 42 0.565 3.697 14.746 1.00 0.00 C ATOM 695 OE1 GLN A 42 -0.451 3.063 14.543 1.00 0.00 O ATOM 696 NE2 GLN A 42 0.517 4.769 15.488 1.00 0.00 N ATOM 0 H GLN A 42 2.598 4.784 10.600 1.00 0.00 H new ATOM 0 HA GLN A 42 0.402 3.546 12.172 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.159 3.832 12.483 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.575 5.187 13.428 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.837 2.244 13.771 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.678 3.266 14.920 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.366 5.307 15.663 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.370 5.070 15.893 1.00 0.00 H new ATOM 705 N CYS A 43 -0.835 5.602 12.888 1.00 0.00 N ATOM 706 CA CYS A 43 -1.566 6.875 13.187 1.00 0.00 C ATOM 707 C CYS A 43 -2.225 6.913 14.550 1.00 0.00 C ATOM 708 O CYS A 43 -2.604 5.905 15.112 1.00 0.00 O ATOM 709 CB CYS A 43 -2.671 7.079 12.131 1.00 0.00 C ATOM 710 SG CYS A 43 -2.360 6.539 10.420 1.00 0.00 S ATOM 0 H CYS A 43 -1.330 4.740 13.116 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.812 7.662 13.169 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.564 6.562 12.483 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.909 8.142 12.103 1.00 0.00 H new ATOM 715 N HIS A 44 -2.338 8.124 15.047 1.00 0.00 N ATOM 716 CA HIS A 44 -2.963 8.347 16.368 1.00 0.00 C ATOM 717 C HIS A 44 -3.781 9.617 16.295 1.00 0.00 C ATOM 718 O HIS A 44 -3.961 10.162 15.223 1.00 0.00 O ATOM 719 CB HIS A 44 -1.876 8.481 17.464 1.00 0.00 C ATOM 720 CG HIS A 44 -0.741 9.386 17.015 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.122 9.086 16.167 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.385 10.633 17.481 1.00 0.00 C ATOM 723 CE1 HIS A 44 0.989 10.000 16.047 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.748 11.038 16.850 1.00 0.00 N ATOM 0 H HIS A 44 -2.016 8.971 14.578 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.600 7.500 16.624 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.323 8.881 18.374 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.481 7.495 17.709 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.921 11.198 18.229 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.829 9.946 15.371 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.274 11.905 16.961 1.00 0.00 H new ATOM 732 N SER A 45 -4.268 10.073 17.408 1.00 0.00 N ATOM 733 CA SER A 45 -5.084 11.323 17.369 1.00 0.00 C ATOM 734 C SER A 45 -4.848 12.220 18.577 1.00 0.00 C ATOM 735 O SER A 45 -5.004 11.813 19.712 1.00 0.00 O ATOM 736 CB SER A 45 -6.567 10.928 17.327 1.00 0.00 C ATOM 737 OG SER A 45 -7.211 11.909 18.127 1.00 0.00 O ATOM 0 H SER A 45 -4.144 9.650 18.328 1.00 0.00 H new ATOM 0 HA SER A 45 -4.789 11.887 16.485 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.951 10.931 16.307 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.723 9.925 17.724 1.00 0.00 H new ATOM 0 HG SER A 45 -8.174 11.730 18.153 1.00 0.00 H new ATOM 743 N VAL A 46 -4.470 13.438 18.283 1.00 0.00 N ATOM 744 CA VAL A 46 -4.205 14.434 19.343 1.00 0.00 C ATOM 745 C VAL A 46 -4.973 15.735 18.994 1.00 0.00 C ATOM 746 O VAL A 46 -4.944 16.153 17.862 1.00 0.00 O ATOM 747 CB VAL A 46 -2.692 14.746 19.320 1.00 0.00 C ATOM 748 CG1 VAL A 46 -2.257 15.298 20.680 1.00 0.00 C ATOM 749 CG2 VAL A 46 -1.919 13.462 19.013 1.00 0.00 C ATOM 0 H VAL A 46 -4.334 13.782 17.333 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.516 14.060 20.318 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.484 15.491 18.551 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.189 15.517 20.659 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.810 16.212 20.896 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.461 14.559 21.455 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.850 13.676 18.995 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.128 12.719 19.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.227 13.075 18.042 1.00 0.00 H new ATOM 759 N PRO A 47 -5.655 16.367 19.953 1.00 0.00 N ATOM 760 CA PRO A 47 -6.387 17.595 19.645 1.00 0.00 C ATOM 761 C PRO A 47 -5.498 18.615 18.940 1.00 0.00 C ATOM 762 O PRO A 47 -4.333 18.370 18.695 1.00 0.00 O ATOM 763 CB PRO A 47 -6.849 18.142 21.004 1.00 0.00 C ATOM 764 CG PRO A 47 -6.486 17.072 22.078 1.00 0.00 C ATOM 765 CD PRO A 47 -5.732 15.936 21.360 1.00 0.00 C ATOM 0 HA PRO A 47 -7.220 17.398 18.971 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.358 19.090 21.224 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.922 18.332 20.998 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.866 17.509 22.861 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.386 16.691 22.560 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.739 15.790 21.784 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.261 14.988 21.455 1.00 0.00 H new ATOM 773 N VAL A 48 -6.069 19.745 18.631 1.00 0.00 N ATOM 774 CA VAL A 48 -5.292 20.801 17.939 1.00 0.00 C ATOM 775 C VAL A 48 -4.648 21.778 18.921 1.00 0.00 C ATOM 776 O VAL A 48 -4.455 22.935 18.601 1.00 0.00 O ATOM 777 CB VAL A 48 -6.267 21.566 17.032 1.00 0.00 C ATOM 778 CG1 VAL A 48 -7.293 22.317 17.896 1.00 0.00 C ATOM 779 CG2 VAL A 48 -5.489 22.565 16.161 1.00 0.00 C ATOM 0 H VAL A 48 -7.042 19.980 18.829 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.486 20.336 17.372 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.789 20.860 16.386 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.984 22.859 17.251 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.849 21.603 18.504 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.775 23.022 18.546 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.184 23.106 15.519 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.961 23.272 16.801 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.769 22.027 15.544 1.00 0.00 H new ATOM 789 N LYS A 49 -4.325 21.307 20.095 1.00 0.00 N ATOM 790 CA LYS A 49 -3.698 22.214 21.084 1.00 0.00 C ATOM 791 C LYS A 49 -2.548 22.985 20.439 1.00 0.00 C ATOM 792 O LYS A 49 -1.737 22.414 19.736 1.00 0.00 O ATOM 793 CB LYS A 49 -3.157 21.365 22.251 1.00 0.00 C ATOM 794 CG LYS A 49 -1.830 20.713 21.847 1.00 0.00 C ATOM 795 CD LYS A 49 -1.518 19.569 22.822 1.00 0.00 C ATOM 796 CE LYS A 49 -1.344 20.136 24.240 1.00 0.00 C ATOM 797 NZ LYS A 49 -0.274 19.397 24.968 1.00 0.00 N ATOM 0 H LYS A 49 -4.468 20.346 20.405 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.437 22.929 21.445 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.012 21.991 23.131 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.882 20.598 22.521 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.893 20.332 20.828 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.028 21.451 21.863 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.324 18.836 22.809 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.611 19.051 22.512 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.091 21.195 24.186 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.284 20.060 24.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.168 19.792 25.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.531 18.391 25.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.625 19.491 24.453 1.00 0.00 H new ATOM 811 N SER A 50 -2.504 24.272 20.690 1.00 0.00 N ATOM 812 CA SER A 50 -1.415 25.103 20.102 1.00 0.00 C ATOM 813 C SER A 50 -0.833 26.051 21.142 1.00 0.00 C ATOM 814 O SER A 50 -1.386 26.068 22.228 1.00 0.00 O ATOM 815 CB SER A 50 -2.016 25.938 18.959 1.00 0.00 C ATOM 816 OG SER A 50 -1.238 25.588 17.824 1.00 0.00 O ATOM 817 OXT SER A 50 0.136 26.706 20.794 1.00 0.00 O ATOM 0 H SER A 50 -3.172 24.777 21.273 1.00 0.00 H new ATOM 0 HA SER A 50 -0.620 24.449 19.743 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.070 25.704 18.807 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.954 27.005 19.171 1.00 0.00 H new ATOM 0 HG SER A 50 -1.561 26.081 17.041 1.00 0.00 H new TER 823 SER A 50