USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=12 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 Single : A 1 SER N :NH3+ -111:sc= 0.111 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -2.45! C(o=-2.4!,f=-14!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 17 GLN : amide:sc= -1.15 K(o=-1.2,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.4) USER MOD Single : A 19 GLN : amide:sc= -3.36 K(o=-3.4,f=-2.4!) USER MOD Single : A 20 SER OG : rot 44:sc= 0.232 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.68) USER MOD Single : A 38 SER OG : rot 55:sc= 1.04 USER MOD Single : A 42 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.3) USER MOD Single : A 44 HIS : no HD1:sc= -5.88 K(o=-5.9,f=-7.2!) USER MOD Single : A 45 SER OG : rot -26:sc= 0.696! USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.103) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.755 -7.559 5.181 1.00 0.00 N ATOM 2 CA SER A 1 12.492 -6.100 5.190 1.00 0.00 C ATOM 3 C SER A 1 11.119 -5.813 4.593 1.00 0.00 C ATOM 4 O SER A 1 10.398 -6.719 4.228 1.00 0.00 O ATOM 5 CB SER A 1 13.551 -5.373 4.349 1.00 0.00 C ATOM 6 OG SER A 1 14.537 -4.986 5.293 1.00 0.00 O ATOM 0 H1 SER A 1 12.754 -7.918 6.157 1.00 0.00 H new ATOM 0 H2 SER A 1 12.014 -8.042 4.634 1.00 0.00 H new ATOM 0 H3 SER A 1 13.682 -7.742 4.746 1.00 0.00 H new ATOM 0 HA SER A 1 12.529 -5.748 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.968 -6.026 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.129 -4.509 3.837 1.00 0.00 H new ATOM 0 HG SER A 1 15.261 -4.511 4.834 1.00 0.00 H new ATOM 14 N TYR A 2 10.781 -4.554 4.507 1.00 0.00 N ATOM 15 CA TYR A 2 9.459 -4.193 3.937 1.00 0.00 C ATOM 16 C TYR A 2 9.507 -2.827 3.263 1.00 0.00 C ATOM 17 O TYR A 2 10.508 -2.140 3.312 1.00 0.00 O ATOM 18 CB TYR A 2 8.438 -4.140 5.084 1.00 0.00 C ATOM 19 CG TYR A 2 8.448 -5.472 5.833 1.00 0.00 C ATOM 20 CD1 TYR A 2 7.820 -6.580 5.303 1.00 0.00 C ATOM 21 CD2 TYR A 2 9.085 -5.586 7.053 1.00 0.00 C ATOM 22 CE1 TYR A 2 7.826 -7.782 5.979 1.00 0.00 C ATOM 23 CE2 TYR A 2 9.092 -6.788 7.730 1.00 0.00 C ATOM 24 CZ TYR A 2 8.463 -7.895 7.199 1.00 0.00 C ATOM 25 OH TYR A 2 8.469 -9.098 7.877 1.00 0.00 O ATOM 0 H TYR A 2 11.360 -3.769 4.805 1.00 0.00 H new ATOM 0 HA TYR A 2 9.180 -4.938 3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 2 8.682 -3.325 5.765 1.00 0.00 H new ATOM 0 HB3 TYR A 2 7.442 -3.939 4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 2 7.319 -6.505 4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 2 9.582 -4.727 7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 2 7.329 -8.640 5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 2 9.594 -6.863 8.683 1.00 0.00 H new ATOM 0 HH TYR A 2 8.963 -8.998 8.717 1.00 0.00 H new ATOM 35 N GLN A 3 8.419 -2.457 2.642 1.00 0.00 N ATOM 36 CA GLN A 3 8.377 -1.139 1.959 1.00 0.00 C ATOM 37 C GLN A 3 8.806 -0.028 2.903 1.00 0.00 C ATOM 38 O GLN A 3 8.289 0.097 3.996 1.00 0.00 O ATOM 39 CB GLN A 3 6.931 -0.876 1.505 1.00 0.00 C ATOM 40 CG GLN A 3 6.813 -1.145 0.000 1.00 0.00 C ATOM 41 CD GLN A 3 7.099 -2.624 -0.281 1.00 0.00 C ATOM 42 OE1 GLN A 3 7.529 -3.360 0.583 1.00 0.00 O ATOM 43 NE2 GLN A 3 6.871 -3.097 -1.476 1.00 0.00 N ATOM 0 H GLN A 3 7.564 -3.009 2.580 1.00 0.00 H new ATOM 0 HA GLN A 3 9.058 -1.155 1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.243 -1.518 2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.651 0.154 1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.814 -0.885 -0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.516 -0.518 -0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.510 -2.484 -2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.054 -4.080 -1.679 1.00 0.00 H new ATOM 52 N VAL A 4 9.746 0.760 2.465 1.00 0.00 N ATOM 53 CA VAL A 4 10.225 1.869 3.321 1.00 0.00 C ATOM 54 C VAL A 4 9.323 3.088 3.184 1.00 0.00 C ATOM 55 O VAL A 4 9.319 3.960 4.028 1.00 0.00 O ATOM 56 CB VAL A 4 11.643 2.252 2.867 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.663 1.589 3.794 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.867 1.756 1.436 1.00 0.00 C ATOM 0 H VAL A 4 10.199 0.682 1.555 1.00 0.00 H new ATOM 0 HA VAL A 4 10.218 1.544 4.361 1.00 0.00 H new ATOM 0 HB VAL A 4 11.760 3.335 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.671 1.857 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.501 1.931 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.545 0.506 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.872 2.026 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.754 0.672 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.135 2.216 0.773 1.00 0.00 H new ATOM 68 N ILE A 5 8.570 3.125 2.120 1.00 0.00 N ATOM 69 CA ILE A 5 7.663 4.275 1.910 1.00 0.00 C ATOM 70 C ILE A 5 6.293 4.020 2.537 1.00 0.00 C ATOM 71 O ILE A 5 6.072 3.002 3.163 1.00 0.00 O ATOM 72 CB ILE A 5 7.494 4.473 0.410 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.227 3.134 -0.262 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.801 5.054 -0.157 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.099 3.293 -1.287 1.00 0.00 C ATOM 0 H ILE A 5 8.547 2.410 1.393 1.00 0.00 H new ATOM 0 HA ILE A 5 8.092 5.160 2.381 1.00 0.00 H new ATOM 0 HB ILE A 5 6.658 5.147 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.131 2.775 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.952 2.389 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.697 5.202 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.012 6.010 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.621 4.362 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.907 2.334 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.194 3.633 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.392 4.025 -2.040 1.00 0.00 H new ATOM 87 N CYS A 6 5.394 4.956 2.354 1.00 0.00 N ATOM 88 CA CYS A 6 4.033 4.793 2.930 1.00 0.00 C ATOM 89 C CYS A 6 2.987 5.417 2.010 1.00 0.00 C ATOM 90 O CYS A 6 2.970 6.614 1.821 1.00 0.00 O ATOM 91 CB CYS A 6 3.994 5.521 4.280 1.00 0.00 C ATOM 92 SG CYS A 6 4.045 4.507 5.776 1.00 0.00 S ATOM 0 H CYS A 6 5.547 5.819 1.833 1.00 0.00 H new ATOM 0 HA CYS A 6 3.814 3.732 3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.836 6.213 4.314 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.085 6.122 4.312 1.00 0.00 H new ATOM 97 N ARG A 7 2.130 4.599 1.461 1.00 0.00 N ATOM 98 CA ARG A 7 1.087 5.136 0.554 1.00 0.00 C ATOM 99 C ARG A 7 -0.184 5.523 1.304 1.00 0.00 C ATOM 100 O ARG A 7 -0.869 4.677 1.843 1.00 0.00 O ATOM 101 CB ARG A 7 0.735 4.037 -0.454 1.00 0.00 C ATOM 102 CG ARG A 7 -0.200 4.614 -1.526 1.00 0.00 C ATOM 103 CD ARG A 7 -0.542 3.517 -2.534 1.00 0.00 C ATOM 104 NE ARG A 7 -1.309 2.446 -1.840 1.00 0.00 N ATOM 105 CZ ARG A 7 -2.167 1.734 -2.514 1.00 0.00 C ATOM 106 NH1 ARG A 7 -3.292 2.283 -2.883 1.00 0.00 N ATOM 107 NH2 ARG A 7 -1.871 0.496 -2.798 1.00 0.00 N ATOM 0 H ARG A 7 2.110 3.589 1.603 1.00 0.00 H new ATOM 0 HA ARG A 7 1.477 6.032 0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.642 3.648 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.253 3.202 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.110 4.998 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.279 5.453 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.129 3.929 -3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.370 3.107 -2.968 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.164 2.271 -0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.488 3.255 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.975 1.740 -3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.981 0.102 -2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.529 -0.078 -3.325 1.00 0.00 H new ATOM 121 N ASP A 8 -0.476 6.803 1.319 1.00 0.00 N ATOM 122 CA ASP A 8 -1.701 7.271 2.025 1.00 0.00 C ATOM 123 C ASP A 8 -2.825 7.517 1.019 1.00 0.00 C ATOM 124 O ASP A 8 -2.683 8.317 0.110 1.00 0.00 O ATOM 125 CB ASP A 8 -1.379 8.583 2.746 1.00 0.00 C ATOM 126 CG ASP A 8 -2.511 8.912 3.714 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.018 7.967 4.298 1.00 0.00 O ATOM 128 OD2 ASP A 8 -2.806 10.086 3.818 1.00 0.00 O ATOM 0 H ASP A 8 0.079 7.535 0.875 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.022 6.512 2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.437 8.494 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.257 9.389 2.023 1.00 0.00 H new ATOM 133 N GLU A 9 -3.924 6.826 1.201 1.00 0.00 N ATOM 134 CA GLU A 9 -5.066 6.999 0.267 1.00 0.00 C ATOM 135 C GLU A 9 -5.985 8.146 0.683 1.00 0.00 C ATOM 136 O GLU A 9 -6.946 8.441 0.002 1.00 0.00 O ATOM 137 CB GLU A 9 -5.879 5.703 0.275 1.00 0.00 C ATOM 138 CG GLU A 9 -6.466 5.490 1.670 1.00 0.00 C ATOM 139 CD GLU A 9 -7.024 4.070 1.774 1.00 0.00 C ATOM 140 OE1 GLU A 9 -7.798 3.729 0.894 1.00 0.00 O ATOM 141 OE2 GLU A 9 -6.646 3.407 2.726 1.00 0.00 O ATOM 0 H GLU A 9 -4.074 6.154 1.954 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.669 7.231 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.678 5.755 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.245 4.860 0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.698 5.647 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.255 6.218 1.860 1.00 0.00 H new ATOM 148 N LYS A 10 -5.685 8.774 1.782 1.00 0.00 N ATOM 149 CA LYS A 10 -6.553 9.897 2.221 1.00 0.00 C ATOM 150 C LYS A 10 -6.150 11.167 1.505 1.00 0.00 C ATOM 151 O LYS A 10 -6.852 12.159 1.533 1.00 0.00 O ATOM 152 CB LYS A 10 -6.380 10.092 3.733 1.00 0.00 C ATOM 153 CG LYS A 10 -7.730 9.859 4.437 1.00 0.00 C ATOM 154 CD LYS A 10 -8.180 8.400 4.236 1.00 0.00 C ATOM 155 CE LYS A 10 -8.943 7.931 5.478 1.00 0.00 C ATOM 156 NZ LYS A 10 -9.869 6.814 5.128 1.00 0.00 N ATOM 0 H LYS A 10 -4.891 8.564 2.386 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.593 9.669 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.633 9.398 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.017 11.098 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.638 10.077 5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.481 10.539 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.815 8.321 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.314 7.761 4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.239 7.602 6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.508 8.762 5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.380 6.506 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.552 7.140 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.322 6.017 4.745 1.00 0.00 H new ATOM 170 N THR A 11 -5.020 11.107 0.874 1.00 0.00 N ATOM 171 CA THR A 11 -4.520 12.285 0.134 1.00 0.00 C ATOM 172 C THR A 11 -3.857 11.824 -1.146 1.00 0.00 C ATOM 173 O THR A 11 -3.524 12.621 -1.997 1.00 0.00 O ATOM 174 CB THR A 11 -3.490 13.013 0.997 1.00 0.00 C ATOM 175 OG1 THR A 11 -2.367 13.199 0.164 1.00 0.00 O ATOM 176 CG2 THR A 11 -2.990 12.104 2.117 1.00 0.00 C ATOM 0 H THR A 11 -4.417 10.285 0.839 1.00 0.00 H new ATOM 0 HA THR A 11 -5.348 12.954 -0.101 1.00 0.00 H new ATOM 0 HB THR A 11 -3.926 13.924 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.664 13.666 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.257 12.640 2.721 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.829 11.805 2.745 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.526 11.217 1.686 1.00 0.00 H new ATOM 184 N GLN A 12 -3.646 10.527 -1.226 1.00 0.00 N ATOM 185 CA GLN A 12 -3.007 9.933 -2.427 1.00 0.00 C ATOM 186 C GLN A 12 -1.613 10.453 -2.574 1.00 0.00 C ATOM 187 O GLN A 12 -1.191 10.835 -3.648 1.00 0.00 O ATOM 188 CB GLN A 12 -3.829 10.272 -3.692 1.00 0.00 C ATOM 189 CG GLN A 12 -5.212 9.633 -3.570 1.00 0.00 C ATOM 190 CD GLN A 12 -6.285 10.687 -3.844 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.701 11.409 -2.961 1.00 0.00 O ATOM 192 NE2 GLN A 12 -6.760 10.807 -5.053 1.00 0.00 N ATOM 0 H GLN A 12 -3.895 9.857 -0.498 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.974 8.850 -2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.921 11.352 -3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.320 9.902 -4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.307 8.809 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.344 9.214 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.414 10.203 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.477 11.505 -5.252 1.00 0.00 H new ATOM 201 N MET A 13 -0.919 10.461 -1.472 1.00 0.00 N ATOM 202 CA MET A 13 0.469 10.949 -1.481 1.00 0.00 C ATOM 203 C MET A 13 1.365 9.967 -0.744 1.00 0.00 C ATOM 204 O MET A 13 1.061 9.558 0.363 1.00 0.00 O ATOM 205 CB MET A 13 0.518 12.312 -0.768 1.00 0.00 C ATOM 206 CG MET A 13 1.942 12.877 -0.841 1.00 0.00 C ATOM 207 SD MET A 13 2.116 14.654 -1.141 1.00 0.00 S ATOM 208 CE MET A 13 1.711 14.626 -2.906 1.00 0.00 C ATOM 0 H MET A 13 -1.263 10.147 -0.565 1.00 0.00 H new ATOM 0 HA MET A 13 0.816 11.048 -2.509 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.183 13.004 -1.235 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.212 12.201 0.272 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.446 12.642 0.096 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.475 12.348 -1.631 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.758 15.639 -3.306 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.426 13.994 -3.433 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.705 14.228 -3.042 1.00 0.00 H new ATOM 218 N ILE A 14 2.447 9.595 -1.366 1.00 0.00 N ATOM 219 CA ILE A 14 3.363 8.641 -0.712 1.00 0.00 C ATOM 220 C ILE A 14 4.450 9.364 0.065 1.00 0.00 C ATOM 221 O ILE A 14 4.966 10.373 -0.376 1.00 0.00 O ATOM 222 CB ILE A 14 4.007 7.789 -1.796 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.926 7.278 -2.740 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.698 6.583 -1.127 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.498 6.166 -3.618 1.00 0.00 C ATOM 0 H ILE A 14 2.730 9.912 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 14 2.798 8.028 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 14 4.733 8.380 -2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.077 6.904 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.557 8.093 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.165 5.961 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.460 6.939 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.958 5.995 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.724 5.801 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.333 6.555 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.845 5.347 -2.988 1.00 0.00 H new ATOM 237 N TYR A 15 4.778 8.823 1.215 1.00 0.00 N ATOM 238 CA TYR A 15 5.830 9.444 2.060 1.00 0.00 C ATOM 239 C TYR A 15 6.992 8.479 2.275 1.00 0.00 C ATOM 240 O TYR A 15 6.914 7.320 1.919 1.00 0.00 O ATOM 241 CB TYR A 15 5.212 9.779 3.423 1.00 0.00 C ATOM 242 CG TYR A 15 3.981 10.661 3.221 1.00 0.00 C ATOM 243 CD1 TYR A 15 4.119 11.966 2.798 1.00 0.00 C ATOM 244 CD2 TYR A 15 2.715 10.168 3.468 1.00 0.00 C ATOM 245 CE1 TYR A 15 3.010 12.768 2.628 1.00 0.00 C ATOM 246 CE2 TYR A 15 1.606 10.971 3.297 1.00 0.00 C ATOM 247 CZ TYR A 15 1.745 12.277 2.875 1.00 0.00 C ATOM 248 OH TYR A 15 0.636 13.080 2.703 1.00 0.00 O ATOM 0 H TYR A 15 4.358 7.977 1.599 1.00 0.00 H new ATOM 0 HA TYR A 15 6.206 10.339 1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.934 8.862 3.944 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.942 10.293 4.049 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.103 12.363 2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.592 9.147 3.797 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.133 13.789 2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.621 10.574 3.495 1.00 0.00 H new ATOM 0 HH TYR A 15 0.814 13.737 1.998 1.00 0.00 H new ATOM 258 N GLN A 16 8.050 8.978 2.856 1.00 0.00 N ATOM 259 CA GLN A 16 9.226 8.114 3.106 1.00 0.00 C ATOM 260 C GLN A 16 9.125 7.413 4.446 1.00 0.00 C ATOM 261 O GLN A 16 8.081 7.384 5.067 1.00 0.00 O ATOM 262 CB GLN A 16 10.472 9.006 3.111 1.00 0.00 C ATOM 263 CG GLN A 16 10.415 9.959 1.917 1.00 0.00 C ATOM 264 CD GLN A 16 11.780 10.628 1.741 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.464 10.928 2.699 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.213 10.877 0.535 1.00 0.00 N ATOM 0 H GLN A 16 8.145 9.945 3.166 1.00 0.00 H new ATOM 0 HA GLN A 16 9.278 7.352 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.524 9.572 4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.372 8.394 3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.145 9.413 1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.645 10.714 2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.643 10.627 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.121 11.321 0.401 1.00 0.00 H new ATOM 275 N GLN A 17 10.220 6.860 4.863 1.00 0.00 N ATOM 276 CA GLN A 17 10.240 6.144 6.161 1.00 0.00 C ATOM 277 C GLN A 17 10.379 7.117 7.326 1.00 0.00 C ATOM 278 O GLN A 17 11.020 8.142 7.211 1.00 0.00 O ATOM 279 CB GLN A 17 11.447 5.195 6.170 1.00 0.00 C ATOM 280 CG GLN A 17 11.331 4.259 7.374 1.00 0.00 C ATOM 281 CD GLN A 17 12.536 3.316 7.406 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.457 2.208 7.898 1.00 0.00 O ATOM 283 NE2 GLN A 17 13.669 3.714 6.894 1.00 0.00 N ATOM 0 H GLN A 17 11.107 6.872 4.360 1.00 0.00 H new ATOM 0 HA GLN A 17 9.303 5.598 6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.480 4.618 5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.375 5.765 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.285 4.839 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.407 3.684 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.743 4.643 6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.480 3.096 6.909 1.00 0.00 H new ATOM 292 N HIS A 18 9.766 6.775 8.429 1.00 0.00 N ATOM 293 CA HIS A 18 9.846 7.662 9.618 1.00 0.00 C ATOM 294 C HIS A 18 9.442 9.083 9.264 1.00 0.00 C ATOM 295 O HIS A 18 9.831 10.024 9.929 1.00 0.00 O ATOM 296 CB HIS A 18 11.297 7.671 10.131 1.00 0.00 C ATOM 297 CG HIS A 18 11.709 6.250 10.527 1.00 0.00 C ATOM 298 ND1 HIS A 18 12.859 5.781 10.395 1.00 0.00 N ATOM 299 CD2 HIS A 18 10.958 5.230 11.090 1.00 0.00 C ATOM 300 CE1 HIS A 18 12.925 4.584 10.810 1.00 0.00 C ATOM 301 NE2 HIS A 18 11.756 4.142 11.274 1.00 0.00 N ATOM 0 H HIS A 18 9.217 5.924 8.554 1.00 0.00 H new ATOM 0 HA HIS A 18 9.166 7.286 10.382 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.965 8.052 9.358 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.387 8.339 10.988 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.909 5.289 11.342 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.827 3.990 10.790 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.521 3.229 11.664 1.00 0.00 H new ATOM 309 N GLN A 19 8.666 9.214 8.223 1.00 0.00 N ATOM 310 CA GLN A 19 8.222 10.566 7.807 1.00 0.00 C ATOM 311 C GLN A 19 6.829 10.850 8.364 1.00 0.00 C ATOM 312 O GLN A 19 5.908 10.088 8.152 1.00 0.00 O ATOM 313 CB GLN A 19 8.182 10.607 6.275 1.00 0.00 C ATOM 314 CG GLN A 19 8.387 12.051 5.807 1.00 0.00 C ATOM 315 CD GLN A 19 7.604 12.283 4.514 1.00 0.00 C ATOM 316 OE1 GLN A 19 6.426 12.576 4.535 1.00 0.00 O ATOM 317 NE2 GLN A 19 8.221 12.167 3.368 1.00 0.00 N ATOM 0 H GLN A 19 8.324 8.445 7.647 1.00 0.00 H new ATOM 0 HA GLN A 19 8.911 11.320 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.959 9.964 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.227 10.226 5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.052 12.745 6.577 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.447 12.244 5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.211 11.921 3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.713 12.322 2.497 1.00 0.00 H new ATOM 326 N SER A 20 6.698 11.944 9.066 1.00 0.00 N ATOM 327 CA SER A 20 5.376 12.286 9.644 1.00 0.00 C ATOM 328 C SER A 20 4.547 13.196 8.749 1.00 0.00 C ATOM 329 O SER A 20 5.032 14.178 8.220 1.00 0.00 O ATOM 330 CB SER A 20 5.615 13.009 10.973 1.00 0.00 C ATOM 331 OG SER A 20 6.570 14.012 10.657 1.00 0.00 O ATOM 0 H SER A 20 7.447 12.609 9.261 1.00 0.00 H new ATOM 0 HA SER A 20 4.819 11.357 9.766 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.694 13.444 11.361 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.991 12.327 11.735 1.00 0.00 H new ATOM 0 HG SER A 20 6.321 14.447 9.815 1.00 0.00 H new ATOM 337 N TRP A 21 3.296 12.838 8.602 1.00 0.00 N ATOM 338 CA TRP A 21 2.384 13.644 7.760 1.00 0.00 C ATOM 339 C TRP A 21 1.006 13.695 8.407 1.00 0.00 C ATOM 340 O TRP A 21 0.401 12.676 8.674 1.00 0.00 O ATOM 341 CB TRP A 21 2.297 13.032 6.340 1.00 0.00 C ATOM 342 CG TRP A 21 1.415 11.763 6.307 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.120 11.761 5.982 1.00 0.00 C ATOM 344 CD2 TRP A 21 1.869 10.527 6.424 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.185 10.449 5.888 1.00 0.00 N ATOM 346 CE2 TRP A 21 0.870 9.602 6.157 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.136 10.076 6.763 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.134 8.251 6.219 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.395 8.718 6.827 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.394 7.809 6.555 1.00 0.00 C ATOM 0 H TRP A 21 2.873 12.017 9.034 1.00 0.00 H new ATOM 0 HA TRP A 21 2.770 14.660 7.674 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.892 13.773 5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.299 12.786 5.990 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.531 12.609 5.830 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.115 10.113 5.639 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.922 10.786 6.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.352 7.538 6.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.383 8.369 7.090 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.599 6.750 6.606 1.00 0.00 H new ATOM 361 N LEU A 22 0.539 14.893 8.648 1.00 0.00 N ATOM 362 CA LEU A 22 -0.792 15.054 9.282 1.00 0.00 C ATOM 363 C LEU A 22 -1.927 14.858 8.287 1.00 0.00 C ATOM 364 O LEU A 22 -1.732 14.898 7.088 1.00 0.00 O ATOM 365 CB LEU A 22 -0.881 16.492 9.840 1.00 0.00 C ATOM 366 CG LEU A 22 -0.091 16.616 11.166 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.867 15.938 12.309 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.290 15.955 11.024 1.00 0.00 C ATOM 0 H LEU A 22 1.026 15.763 8.431 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.894 14.301 10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.485 17.196 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.925 16.758 10.007 1.00 0.00 H new ATOM 0 HG LEU A 22 0.038 17.674 11.395 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.303 16.031 13.237 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.838 16.419 12.425 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.010 14.883 12.076 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.836 16.048 11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.165 14.900 10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.849 16.447 10.228 1.00 0.00 H new ATOM 380 N ARG A 23 -3.100 14.650 8.823 1.00 0.00 N ATOM 381 CA ARG A 23 -4.290 14.444 7.967 1.00 0.00 C ATOM 382 C ARG A 23 -5.509 15.169 8.571 1.00 0.00 C ATOM 383 O ARG A 23 -5.524 15.464 9.751 1.00 0.00 O ATOM 384 CB ARG A 23 -4.576 12.930 7.938 1.00 0.00 C ATOM 385 CG ARG A 23 -3.955 12.309 6.683 1.00 0.00 C ATOM 386 CD ARG A 23 -3.612 10.854 6.978 1.00 0.00 C ATOM 387 NE ARG A 23 -4.814 10.173 7.532 1.00 0.00 N ATOM 388 CZ ARG A 23 -4.984 8.899 7.317 1.00 0.00 C ATOM 389 NH1 ARG A 23 -3.959 8.177 6.955 1.00 0.00 N ATOM 390 NH2 ARG A 23 -6.175 8.387 7.470 1.00 0.00 N ATOM 0 H ARG A 23 -3.280 14.615 9.826 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.109 14.836 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.167 12.456 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.652 12.753 7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.651 12.371 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.059 12.858 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.282 10.353 6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.787 10.799 7.689 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.499 10.699 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.043 8.611 6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.074 7.178 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.953 8.982 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.327 7.392 7.306 1.00 0.00 H new ATOM 404 N PRO A 24 -6.520 15.450 7.748 1.00 0.00 N ATOM 405 CA PRO A 24 -7.717 16.135 8.231 1.00 0.00 C ATOM 406 C PRO A 24 -8.290 15.453 9.474 1.00 0.00 C ATOM 407 O PRO A 24 -7.821 14.409 9.883 1.00 0.00 O ATOM 408 CB PRO A 24 -8.724 16.041 7.064 1.00 0.00 C ATOM 409 CG PRO A 24 -7.971 15.407 5.851 1.00 0.00 C ATOM 410 CD PRO A 24 -6.536 15.103 6.315 1.00 0.00 C ATOM 0 HA PRO A 24 -7.498 17.163 8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.582 15.431 7.345 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.106 17.029 6.806 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.470 14.496 5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.964 16.091 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.284 14.054 6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.807 15.692 5.758 1.00 0.00 H new ATOM 418 N VAL A 25 -9.295 16.059 10.052 1.00 0.00 N ATOM 419 CA VAL A 25 -9.905 15.463 11.264 1.00 0.00 C ATOM 420 C VAL A 25 -10.982 14.447 10.901 1.00 0.00 C ATOM 421 O VAL A 25 -11.368 14.327 9.756 1.00 0.00 O ATOM 422 CB VAL A 25 -10.546 16.601 12.100 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.803 17.913 11.834 1.00 0.00 C ATOM 424 CG2 VAL A 25 -12.021 16.783 11.710 1.00 0.00 C ATOM 0 H VAL A 25 -9.713 16.934 9.736 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.129 14.948 11.830 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.479 16.337 13.155 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.254 18.712 12.422 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.756 17.802 12.116 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.869 18.160 10.774 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.458 17.585 12.305 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.089 17.037 10.652 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.564 15.856 11.896 1.00 0.00 H new ATOM 434 N LEU A 26 -11.445 13.735 11.890 1.00 0.00 N ATOM 435 CA LEU A 26 -12.493 12.726 11.637 1.00 0.00 C ATOM 436 C LEU A 26 -13.869 13.390 11.567 1.00 0.00 C ATOM 437 O LEU A 26 -14.389 13.625 10.493 1.00 0.00 O ATOM 438 CB LEU A 26 -12.475 11.700 12.789 1.00 0.00 C ATOM 439 CG LEU A 26 -12.040 12.384 14.092 1.00 0.00 C ATOM 440 CD1 LEU A 26 -12.738 11.704 15.270 1.00 0.00 C ATOM 441 CD2 LEU A 26 -10.525 12.241 14.256 1.00 0.00 C ATOM 0 H LEU A 26 -11.139 13.813 12.860 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.298 12.232 10.685 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.465 11.261 12.912 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.792 10.885 12.551 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.308 13.440 14.061 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.434 12.185 16.200 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.818 11.791 15.153 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.460 10.650 15.298 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.212 12.726 15.181 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.261 11.184 14.293 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.022 12.711 13.411 1.00 0.00 H new ATOM 453 N ARG A 27 -14.435 13.676 12.714 1.00 0.00 N ATOM 454 CA ARG A 27 -15.775 14.327 12.733 1.00 0.00 C ATOM 455 C ARG A 27 -15.837 15.395 13.820 1.00 0.00 C ATOM 456 O ARG A 27 -16.792 16.143 13.902 1.00 0.00 O ATOM 457 CB ARG A 27 -16.848 13.262 13.030 1.00 0.00 C ATOM 458 CG ARG A 27 -16.535 11.988 12.240 1.00 0.00 C ATOM 459 CD ARG A 27 -17.798 11.125 12.138 1.00 0.00 C ATOM 460 NE ARG A 27 -18.391 11.294 10.782 1.00 0.00 N ATOM 461 CZ ARG A 27 -19.662 11.061 10.606 1.00 0.00 C ATOM 462 NH1 ARG A 27 -20.317 10.405 11.525 1.00 0.00 N ATOM 463 NH2 ARG A 27 -20.237 11.491 9.516 1.00 0.00 N ATOM 0 H ARG A 27 -14.028 13.487 13.630 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.951 14.792 11.763 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.873 13.044 14.098 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.834 13.638 12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.176 12.245 11.243 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -15.739 11.429 12.732 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -17.554 10.077 12.314 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -18.517 11.418 12.903 1.00 0.00 H new ATOM 0 HE ARG A 27 -17.808 11.589 9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -19.834 10.084 12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -21.312 10.214 11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -19.693 12.000 8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -21.230 11.318 9.361 1.00 0.00 H new ATOM 477 N SER A 28 -14.814 15.446 14.637 1.00 0.00 N ATOM 478 CA SER A 28 -14.789 16.451 15.723 1.00 0.00 C ATOM 479 C SER A 28 -13.942 17.657 15.327 1.00 0.00 C ATOM 480 O SER A 28 -14.306 18.415 14.450 1.00 0.00 O ATOM 481 CB SER A 28 -14.167 15.794 16.961 1.00 0.00 C ATOM 482 OG SER A 28 -15.185 14.931 17.446 1.00 0.00 O ATOM 0 H SER A 28 -14.000 14.833 14.592 1.00 0.00 H new ATOM 0 HA SER A 28 -15.805 16.792 15.923 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.263 15.240 16.706 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.886 16.537 17.707 1.00 0.00 H new ATOM 0 HG SER A 28 -14.865 14.465 18.246 1.00 0.00 H new ATOM 488 N ASN A 29 -12.825 17.812 15.982 1.00 0.00 N ATOM 489 CA ASN A 29 -11.940 18.960 15.659 1.00 0.00 C ATOM 490 C ASN A 29 -10.479 18.607 15.930 1.00 0.00 C ATOM 491 O ASN A 29 -9.636 19.474 16.052 1.00 0.00 O ATOM 492 CB ASN A 29 -12.344 20.145 16.552 1.00 0.00 C ATOM 493 CG ASN A 29 -13.075 21.189 15.704 1.00 0.00 C ATOM 494 OD1 ASN A 29 -14.284 21.171 15.583 1.00 0.00 O ATOM 495 ND2 ASN A 29 -12.380 22.113 15.101 1.00 0.00 N ATOM 0 H ASN A 29 -12.490 17.196 16.723 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.046 19.213 14.604 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.987 19.802 17.362 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.460 20.587 17.012 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.851 22.816 14.531 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.365 22.133 15.199 1.00 0.00 H new ATOM 502 N ARG A 30 -10.207 17.336 16.014 1.00 0.00 N ATOM 503 CA ARG A 30 -8.825 16.896 16.276 1.00 0.00 C ATOM 504 C ARG A 30 -8.011 16.844 15.004 1.00 0.00 C ATOM 505 O ARG A 30 -8.462 17.243 13.960 1.00 0.00 O ATOM 506 CB ARG A 30 -8.891 15.491 16.854 1.00 0.00 C ATOM 507 CG ARG A 30 -9.756 15.517 18.109 1.00 0.00 C ATOM 508 CD ARG A 30 -9.235 14.487 19.099 1.00 0.00 C ATOM 509 NE ARG A 30 -9.359 13.130 18.496 1.00 0.00 N ATOM 510 CZ ARG A 30 -9.941 12.176 19.175 1.00 0.00 C ATOM 511 NH1 ARG A 30 -9.441 11.830 20.329 1.00 0.00 N ATOM 512 NH2 ARG A 30 -11.001 11.601 18.675 1.00 0.00 N ATOM 0 H ARG A 30 -10.890 16.586 15.911 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.352 17.601 16.959 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.309 14.801 16.121 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.889 15.134 17.093 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.738 16.511 18.557 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.794 15.301 17.854 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.194 14.695 19.347 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.801 14.539 20.029 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.993 12.947 17.562 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.610 12.301 20.687 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.881 11.088 20.874 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.362 11.898 17.768 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.468 10.855 19.191 1.00 0.00 H new ATOM 526 N VAL A 31 -6.812 16.357 15.133 1.00 0.00 N ATOM 527 CA VAL A 31 -5.914 16.252 13.948 1.00 0.00 C ATOM 528 C VAL A 31 -5.388 14.830 13.826 1.00 0.00 C ATOM 529 O VAL A 31 -5.047 14.212 14.815 1.00 0.00 O ATOM 530 CB VAL A 31 -4.727 17.209 14.144 1.00 0.00 C ATOM 531 CG1 VAL A 31 -4.532 18.038 12.873 1.00 0.00 C ATOM 532 CG2 VAL A 31 -5.022 18.150 15.315 1.00 0.00 C ATOM 0 H VAL A 31 -6.411 16.025 16.010 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.467 16.511 13.045 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.825 16.634 14.352 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.691 18.718 13.008 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.330 17.374 12.033 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.436 18.614 12.672 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.182 18.830 15.456 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.923 18.726 15.101 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.172 17.565 16.223 1.00 0.00 H new ATOM 542 N GLU A 32 -5.326 14.330 12.619 1.00 0.00 N ATOM 543 CA GLU A 32 -4.824 12.951 12.440 1.00 0.00 C ATOM 544 C GLU A 32 -3.334 12.948 12.168 1.00 0.00 C ATOM 545 O GLU A 32 -2.874 13.490 11.183 1.00 0.00 O ATOM 546 CB GLU A 32 -5.540 12.318 11.244 1.00 0.00 C ATOM 547 CG GLU A 32 -6.892 11.766 11.704 1.00 0.00 C ATOM 548 CD GLU A 32 -7.740 11.413 10.480 1.00 0.00 C ATOM 549 OE1 GLU A 32 -7.151 10.891 9.546 1.00 0.00 O ATOM 550 OE2 GLU A 32 -8.927 11.682 10.548 1.00 0.00 O ATOM 0 H GLU A 32 -5.599 14.816 11.765 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.016 12.388 13.354 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.684 13.058 10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.931 11.518 10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.744 10.882 12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.409 12.504 12.318 1.00 0.00 H new ATOM 557 N TYR A 33 -2.610 12.337 13.050 1.00 0.00 N ATOM 558 CA TYR A 33 -1.148 12.272 12.886 1.00 0.00 C ATOM 559 C TYR A 33 -0.773 10.929 12.308 1.00 0.00 C ATOM 560 O TYR A 33 -1.053 9.914 12.904 1.00 0.00 O ATOM 561 CB TYR A 33 -0.523 12.409 14.277 1.00 0.00 C ATOM 562 CG TYR A 33 0.934 12.882 14.163 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.902 12.073 13.594 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.304 14.116 14.655 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.210 12.495 13.521 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.615 14.535 14.581 1.00 0.00 C ATOM 567 CZ TYR A 33 3.577 13.728 14.014 1.00 0.00 C ATOM 568 OH TYR A 33 4.888 14.148 13.939 1.00 0.00 O ATOM 0 H TYR A 33 -2.974 11.877 13.884 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.797 13.061 12.221 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.097 13.119 14.873 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.562 11.452 14.797 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.629 11.103 13.204 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.560 14.759 15.102 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.955 11.854 13.073 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.890 15.504 14.971 1.00 0.00 H new ATOM 0 HH TYR A 33 4.968 15.042 14.333 1.00 0.00 H new ATOM 578 N CYS A 34 -0.146 10.941 11.157 1.00 0.00 N ATOM 579 CA CYS A 34 0.252 9.651 10.531 1.00 0.00 C ATOM 580 C CYS A 34 1.712 9.648 10.096 1.00 0.00 C ATOM 581 O CYS A 34 2.126 10.457 9.290 1.00 0.00 O ATOM 582 CB CYS A 34 -0.626 9.427 9.300 1.00 0.00 C ATOM 583 SG CYS A 34 -2.169 8.513 9.546 1.00 0.00 S ATOM 0 H CYS A 34 0.103 11.780 10.632 1.00 0.00 H new ATOM 0 HA CYS A 34 0.124 8.860 11.269 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.873 10.401 8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.034 8.897 8.554 1.00 0.00 H new ATOM 588 N TRP A 35 2.462 8.726 10.647 1.00 0.00 N ATOM 589 CA TRP A 35 3.901 8.622 10.300 1.00 0.00 C ATOM 590 C TRP A 35 4.269 7.180 9.981 1.00 0.00 C ATOM 591 O TRP A 35 3.717 6.261 10.543 1.00 0.00 O ATOM 592 CB TRP A 35 4.725 9.090 11.509 1.00 0.00 C ATOM 593 CG TRP A 35 5.210 7.866 12.300 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.309 7.201 12.004 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.618 7.355 13.368 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.375 6.248 12.944 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.342 6.276 13.852 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.453 7.732 14.021 1.00 0.00 C ATOM 599 CZ2 TRP A 35 4.917 5.593 14.970 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.032 7.041 15.143 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.765 5.974 15.615 1.00 0.00 C ATOM 0 H TRP A 35 2.131 8.040 11.326 1.00 0.00 H new ATOM 0 HA TRP A 35 4.107 9.239 9.426 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.577 9.682 11.175 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.120 9.734 12.148 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.997 7.382 11.192 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.127 5.560 12.983 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.874 8.566 13.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.490 4.756 15.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.126 7.339 15.650 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.434 5.437 16.492 1.00 0.00 H new ATOM 612 N CYS A 36 5.204 7.009 9.084 1.00 0.00 N ATOM 613 CA CYS A 36 5.621 5.630 8.713 1.00 0.00 C ATOM 614 C CYS A 36 6.586 5.027 9.723 1.00 0.00 C ATOM 615 O CYS A 36 7.667 5.534 9.932 1.00 0.00 O ATOM 616 CB CYS A 36 6.338 5.690 7.361 1.00 0.00 C ATOM 617 SG CYS A 36 6.015 4.348 6.188 1.00 0.00 S ATOM 0 H CYS A 36 5.692 7.760 8.597 1.00 0.00 H new ATOM 0 HA CYS A 36 4.726 5.009 8.680 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.071 6.631 6.879 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.411 5.722 7.550 1.00 0.00 H new ATOM 622 N ASN A 37 6.182 3.940 10.324 1.00 0.00 N ATOM 623 CA ASN A 37 7.066 3.293 11.320 1.00 0.00 C ATOM 624 C ASN A 37 7.902 2.217 10.641 1.00 0.00 C ATOM 625 O ASN A 37 8.865 1.726 11.196 1.00 0.00 O ATOM 626 CB ASN A 37 6.193 2.634 12.396 1.00 0.00 C ATOM 627 CG ASN A 37 6.869 1.350 12.878 1.00 0.00 C ATOM 628 OD1 ASN A 37 6.417 0.256 12.604 1.00 0.00 O ATOM 629 ND2 ASN A 37 7.955 1.438 13.596 1.00 0.00 N ATOM 0 H ASN A 37 5.285 3.480 10.167 1.00 0.00 H new ATOM 0 HA ASN A 37 7.724 4.039 11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.048 3.318 13.232 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.206 2.410 11.992 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.420 0.591 13.924 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.339 2.354 13.829 1.00 0.00 H new ATOM 636 N SER A 38 7.510 1.875 9.442 1.00 0.00 N ATOM 637 CA SER A 38 8.252 0.837 8.690 1.00 0.00 C ATOM 638 C SER A 38 7.684 0.697 7.282 1.00 0.00 C ATOM 639 O SER A 38 8.413 0.503 6.329 1.00 0.00 O ATOM 640 CB SER A 38 8.090 -0.502 9.423 1.00 0.00 C ATOM 641 OG SER A 38 9.327 -0.685 10.092 1.00 0.00 O ATOM 0 H SER A 38 6.707 2.273 8.956 1.00 0.00 H new ATOM 0 HA SER A 38 9.303 1.119 8.624 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.258 -0.473 10.126 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.890 -1.316 8.726 1.00 0.00 H new ATOM 0 HG SER A 38 9.512 0.095 10.656 1.00 0.00 H new ATOM 647 N GLY A 39 6.388 0.800 7.183 1.00 0.00 N ATOM 648 CA GLY A 39 5.735 0.677 5.850 1.00 0.00 C ATOM 649 C GLY A 39 4.246 0.380 6.023 1.00 0.00 C ATOM 650 O GLY A 39 3.575 -0.012 5.087 1.00 0.00 O ATOM 0 H GLY A 39 5.754 0.964 7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.867 1.600 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.209 -0.119 5.276 1.00 0.00 H new ATOM 654 N ARG A 40 3.766 0.576 7.228 1.00 0.00 N ATOM 655 CA ARG A 40 2.326 0.317 7.511 1.00 0.00 C ATOM 656 C ARG A 40 1.624 1.607 7.895 1.00 0.00 C ATOM 657 O ARG A 40 0.472 1.600 8.283 1.00 0.00 O ATOM 658 CB ARG A 40 2.238 -0.659 8.697 1.00 0.00 C ATOM 659 CG ARG A 40 2.932 -0.034 9.912 1.00 0.00 C ATOM 660 CD ARG A 40 3.031 -1.074 11.031 1.00 0.00 C ATOM 661 NE ARG A 40 3.186 -0.365 12.335 1.00 0.00 N ATOM 662 CZ ARG A 40 3.450 -1.052 13.415 1.00 0.00 C ATOM 663 NH1 ARG A 40 3.942 -2.255 13.296 1.00 0.00 N ATOM 664 NH2 ARG A 40 3.214 -0.509 14.578 1.00 0.00 N ATOM 0 H ARG A 40 4.312 0.904 8.025 1.00 0.00 H new ATOM 0 HA ARG A 40 1.850 -0.098 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.195 -0.876 8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.711 -1.607 8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.927 0.316 9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.373 0.836 10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.138 -1.699 11.045 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.880 -1.735 10.858 1.00 0.00 H new ATOM 0 HE ARG A 40 3.087 0.649 12.383 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.115 -2.646 12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.154 -2.804 14.129 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.831 0.435 14.632 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.413 -1.028 15.433 1.00 0.00 H new ATOM 678 N ALA A 41 2.332 2.694 7.782 1.00 0.00 N ATOM 679 CA ALA A 41 1.728 3.995 8.137 1.00 0.00 C ATOM 680 C ALA A 41 1.172 3.955 9.549 1.00 0.00 C ATOM 681 O ALA A 41 0.056 3.529 9.770 1.00 0.00 O ATOM 682 CB ALA A 41 0.579 4.293 7.160 1.00 0.00 C ATOM 0 H ALA A 41 3.299 2.733 7.460 1.00 0.00 H new ATOM 0 HA ALA A 41 2.493 4.769 8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.126 5.251 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.968 4.333 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.172 3.506 7.231 1.00 0.00 H new ATOM 688 N GLN A 42 1.962 4.397 10.484 1.00 0.00 N ATOM 689 CA GLN A 42 1.499 4.394 11.883 1.00 0.00 C ATOM 690 C GLN A 42 0.787 5.698 12.162 1.00 0.00 C ATOM 691 O GLN A 42 1.131 6.703 11.591 1.00 0.00 O ATOM 692 CB GLN A 42 2.734 4.283 12.783 1.00 0.00 C ATOM 693 CG GLN A 42 2.520 3.162 13.800 1.00 0.00 C ATOM 694 CD GLN A 42 1.271 3.461 14.632 1.00 0.00 C ATOM 695 OE1 GLN A 42 0.406 2.623 14.796 1.00 0.00 O ATOM 696 NE2 GLN A 42 1.137 4.641 15.173 1.00 0.00 N ATOM 0 H GLN A 42 2.904 4.758 10.334 1.00 0.00 H new ATOM 0 HA GLN A 42 0.818 3.563 12.069 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.620 4.079 12.181 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.909 5.228 13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.408 2.207 13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.391 3.075 14.450 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.859 5.348 15.039 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.310 4.856 15.730 1.00 0.00 H new ATOM 705 N CYS A 43 -0.206 5.680 13.010 1.00 0.00 N ATOM 706 CA CYS A 43 -0.905 6.960 13.278 1.00 0.00 C ATOM 707 C CYS A 43 -1.513 7.040 14.662 1.00 0.00 C ATOM 708 O CYS A 43 -1.676 6.050 15.346 1.00 0.00 O ATOM 709 CB CYS A 43 -2.026 7.114 12.234 1.00 0.00 C ATOM 710 SG CYS A 43 -1.592 6.824 10.497 1.00 0.00 S ATOM 0 H CYS A 43 -0.552 4.862 13.512 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.165 7.758 13.216 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.830 6.428 12.500 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.428 8.124 12.317 1.00 0.00 H new ATOM 715 N HIS A 44 -1.843 8.252 15.038 1.00 0.00 N ATOM 716 CA HIS A 44 -2.453 8.481 16.370 1.00 0.00 C ATOM 717 C HIS A 44 -3.320 9.727 16.335 1.00 0.00 C ATOM 718 O HIS A 44 -3.402 10.390 15.319 1.00 0.00 O ATOM 719 CB HIS A 44 -1.344 8.646 17.435 1.00 0.00 C ATOM 720 CG HIS A 44 -0.329 9.702 17.014 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.695 9.478 16.340 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.278 11.042 17.328 1.00 0.00 C ATOM 723 CE1 HIS A 44 1.394 10.523 16.194 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.851 11.583 16.793 1.00 0.00 N ATOM 0 H HIS A 44 -1.713 9.091 14.472 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.072 7.622 16.628 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.791 8.927 18.389 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.839 7.693 17.588 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.016 11.578 17.906 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.324 10.553 15.646 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.191 12.544 16.838 1.00 0.00 H new ATOM 732 N SER A 45 -3.953 10.025 17.443 1.00 0.00 N ATOM 733 CA SER A 45 -4.825 11.227 17.492 1.00 0.00 C ATOM 734 C SER A 45 -4.484 12.143 18.661 1.00 0.00 C ATOM 735 O SER A 45 -4.476 11.730 19.805 1.00 0.00 O ATOM 736 CB SER A 45 -6.270 10.744 17.652 1.00 0.00 C ATOM 737 OG SER A 45 -6.452 10.648 19.058 1.00 0.00 O ATOM 0 H SER A 45 -3.901 9.488 18.309 1.00 0.00 H new ATOM 0 HA SER A 45 -4.680 11.799 16.575 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.976 11.445 17.206 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.425 9.782 17.164 1.00 0.00 H new ATOM 0 HG SER A 45 -5.585 10.503 19.491 1.00 0.00 H new ATOM 743 N VAL A 46 -4.203 13.378 18.332 1.00 0.00 N ATOM 744 CA VAL A 46 -3.856 14.378 19.367 1.00 0.00 C ATOM 745 C VAL A 46 -4.704 15.662 19.142 1.00 0.00 C ATOM 746 O VAL A 46 -4.521 16.331 18.145 1.00 0.00 O ATOM 747 CB VAL A 46 -2.380 14.746 19.186 1.00 0.00 C ATOM 748 CG1 VAL A 46 -1.519 13.770 19.988 1.00 0.00 C ATOM 749 CG2 VAL A 46 -2.015 14.646 17.703 1.00 0.00 C ATOM 0 H VAL A 46 -4.201 13.733 17.376 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.046 13.974 20.362 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.206 15.763 19.537 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.467 14.026 19.864 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.785 13.832 21.043 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.690 12.755 19.630 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.965 14.907 17.568 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.183 13.627 17.355 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.636 15.333 17.128 1.00 0.00 H new ATOM 759 N PRO A 47 -5.620 16.007 20.065 1.00 0.00 N ATOM 760 CA PRO A 47 -6.437 17.207 19.879 1.00 0.00 C ATOM 761 C PRO A 47 -5.585 18.467 19.803 1.00 0.00 C ATOM 762 O PRO A 47 -4.381 18.420 19.952 1.00 0.00 O ATOM 763 CB PRO A 47 -7.350 17.273 21.118 1.00 0.00 C ATOM 764 CG PRO A 47 -7.006 16.047 22.018 1.00 0.00 C ATOM 765 CD PRO A 47 -5.879 15.267 21.319 1.00 0.00 C ATOM 0 HA PRO A 47 -6.994 17.154 18.944 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.192 18.204 21.662 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.399 17.250 20.823 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.690 16.374 23.008 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.883 15.414 22.156 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.986 15.222 21.942 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.178 14.239 21.116 1.00 0.00 H new ATOM 773 N VAL A 48 -6.235 19.573 19.571 1.00 0.00 N ATOM 774 CA VAL A 48 -5.495 20.854 19.477 1.00 0.00 C ATOM 775 C VAL A 48 -5.440 21.547 20.834 1.00 0.00 C ATOM 776 O VAL A 48 -4.697 22.490 21.022 1.00 0.00 O ATOM 777 CB VAL A 48 -6.234 21.760 18.485 1.00 0.00 C ATOM 778 CG1 VAL A 48 -7.451 22.382 19.175 1.00 0.00 C ATOM 779 CG2 VAL A 48 -5.295 22.874 18.015 1.00 0.00 C ATOM 0 H VAL A 48 -7.245 19.642 19.443 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.475 20.658 19.146 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.560 21.171 17.628 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.978 23.027 18.472 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.120 21.591 19.514 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.122 22.971 20.031 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.820 23.519 17.310 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.971 23.463 18.873 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.425 22.435 17.527 1.00 0.00 H new ATOM 789 N LYS A 49 -6.224 21.058 21.757 1.00 0.00 N ATOM 790 CA LYS A 49 -6.235 21.668 23.105 1.00 0.00 C ATOM 791 C LYS A 49 -6.242 23.195 23.014 1.00 0.00 C ATOM 792 O LYS A 49 -5.212 23.833 23.118 1.00 0.00 O ATOM 793 CB LYS A 49 -4.970 21.210 23.843 1.00 0.00 C ATOM 794 CG LYS A 49 -5.173 21.387 25.349 1.00 0.00 C ATOM 795 CD LYS A 49 -5.580 20.043 25.959 1.00 0.00 C ATOM 796 CE LYS A 49 -5.890 20.237 27.445 1.00 0.00 C ATOM 797 NZ LYS A 49 -7.204 20.917 27.618 1.00 0.00 N ATOM 0 H LYS A 49 -6.853 20.265 21.631 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.134 21.356 23.637 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.759 20.166 23.613 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.110 21.790 23.509 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.255 21.748 25.813 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.942 22.135 25.540 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.453 19.645 25.442 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.778 19.316 25.835 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.905 19.271 27.949 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.103 20.829 27.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.503 20.846 28.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.114 21.919 27.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.913 20.461 27.009 1.00 0.00 H new ATOM 811 N SER A 50 -7.407 23.751 22.818 1.00 0.00 N ATOM 812 CA SER A 50 -7.504 25.228 22.716 1.00 0.00 C ATOM 813 C SER A 50 -8.914 25.701 23.044 1.00 0.00 C ATOM 814 O SER A 50 -9.823 24.949 22.731 1.00 0.00 O ATOM 815 CB SER A 50 -7.168 25.641 21.275 1.00 0.00 C ATOM 816 OG SER A 50 -7.129 27.060 21.320 1.00 0.00 O ATOM 817 OXT SER A 50 -9.008 26.788 23.588 1.00 0.00 O ATOM 0 H SER A 50 -8.289 23.247 22.725 1.00 0.00 H new ATOM 0 HA SER A 50 -6.809 25.679 23.424 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.212 25.226 20.954 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.922 25.285 20.573 1.00 0.00 H new ATOM 0 HG SER A 50 -6.917 27.410 20.430 1.00 0.00 H new TER 823 SER A 50