USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 407 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 32 THR OG1 : rot 111:sc= 1.2 USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -0.0212 F(o=-5.7!,f=1.2) USER MOD Single : A 19 GLN :FLIP amide:sc= -2.38! C(o=-3.5!,f=-2.4!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.251 X(o=0.25,f=0.3) USER MOD Single : A 47 LYS NZ :NH3+ -132:sc= 0.598 (180deg=-1.47) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.68! C(o=-7.7!,f=-8.2!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.35 F(o=-3.1!,f=-1.3) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 17.512 2.219 -0.759 1.00 0.00 N ATOM 2 CA CYS A 18 16.440 1.394 -1.316 1.00 0.00 C ATOM 3 C CYS A 18 16.778 -0.045 -1.034 1.00 0.00 C ATOM 4 O CYS A 18 17.909 -0.493 -1.280 1.00 0.00 O ATOM 5 CB CYS A 18 16.248 1.537 -2.840 1.00 0.00 C ATOM 6 SG CYS A 18 16.247 3.245 -3.476 1.00 0.00 S ATOM 0 HA CYS A 18 15.513 1.727 -0.849 1.00 0.00 H new ATOM 0 HB2 CYS A 18 17.041 0.982 -3.342 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.305 1.065 -3.115 1.00 0.00 H new ATOM 11 N GLN A 19 15.808 -0.757 -0.512 1.00 0.00 N ATOM 12 CA GLN A 19 15.962 -2.155 -0.209 1.00 0.00 C ATOM 13 C GLN A 19 14.780 -2.915 -0.798 1.00 0.00 C ATOM 14 O GLN A 19 13.645 -2.834 -0.317 1.00 0.00 O ATOM 15 CB GLN A 19 16.155 -2.345 1.316 1.00 0.00 C ATOM 16 CG GLN A 19 15.329 -1.410 2.212 1.00 0.00 C ATOM 17 CD GLN A 19 14.120 -2.081 2.823 1.00 0.00 C ATOM 18 OE1 GLN A 19 12.979 -1.955 2.164 1.00 0.00 O flip ATOM 19 NE2 GLN A 19 14.208 -2.694 3.887 1.00 0.00 N flip ATOM 0 H GLN A 19 14.888 -0.380 -0.286 1.00 0.00 H new ATOM 0 HA GLN A 19 16.860 -2.570 -0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.906 -3.375 1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.210 -2.205 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.965 -1.027 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.002 -0.552 1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.108 -2.766 4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.381 -3.130 4.294 1.00 0.00 H new ATOM 28 N LEU A 20 15.089 -3.634 -1.876 1.00 0.00 N ATOM 29 CA LEU A 20 14.112 -4.407 -2.632 1.00 0.00 C ATOM 30 C LEU A 20 14.042 -5.875 -2.197 1.00 0.00 C ATOM 31 O LEU A 20 14.878 -6.714 -2.560 1.00 0.00 O ATOM 32 CB LEU A 20 14.412 -4.279 -4.156 1.00 0.00 C ATOM 33 CG LEU A 20 13.262 -4.567 -5.176 1.00 0.00 C ATOM 34 CD1 LEU A 20 13.136 -6.059 -5.467 1.00 0.00 C ATOM 35 CD2 LEU A 20 11.914 -4.002 -4.722 1.00 0.00 C ATOM 0 H LEU A 20 16.036 -3.695 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 20 13.127 -3.991 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.769 -3.265 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.236 -4.954 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 20 13.539 -4.052 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.328 -6.224 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.071 -6.428 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.919 -6.593 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.153 -4.232 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.634 -4.450 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.993 -2.921 -4.605 1.00 0.00 H new ATOM 47 N PHE A 21 13.027 -6.125 -1.380 1.00 0.00 N ATOM 48 CA PHE A 21 12.674 -7.456 -0.885 1.00 0.00 C ATOM 49 C PHE A 21 11.145 -7.575 -0.977 1.00 0.00 C ATOM 50 O PHE A 21 10.407 -6.975 -0.184 1.00 0.00 O ATOM 51 CB PHE A 21 13.248 -7.728 0.541 1.00 0.00 C ATOM 52 CG PHE A 21 12.610 -6.979 1.694 1.00 0.00 C ATOM 53 CD1 PHE A 21 12.968 -5.671 1.986 1.00 0.00 C ATOM 54 CD2 PHE A 21 11.657 -7.600 2.491 1.00 0.00 C ATOM 55 CE1 PHE A 21 12.388 -5.000 3.045 1.00 0.00 C ATOM 56 CE2 PHE A 21 11.074 -6.931 3.550 1.00 0.00 C ATOM 57 CZ PHE A 21 11.440 -5.631 3.827 1.00 0.00 C ATOM 0 H PHE A 21 12.409 -5.392 -1.033 1.00 0.00 H new ATOM 0 HA PHE A 21 13.131 -8.235 -1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.163 -8.796 0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.312 -7.490 0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.708 -5.172 1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.368 -8.619 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.676 -3.982 3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.333 -7.426 4.160 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.986 -5.106 4.655 1.00 0.00 H new ATOM 67 N CYS A 22 10.685 -8.305 -1.994 1.00 0.00 N ATOM 68 CA CYS A 22 9.253 -8.449 -2.262 1.00 0.00 C ATOM 69 C CYS A 22 8.634 -9.779 -1.771 1.00 0.00 C ATOM 70 O CYS A 22 8.778 -10.815 -2.438 1.00 0.00 O ATOM 71 CB CYS A 22 8.997 -8.268 -3.762 1.00 0.00 C ATOM 72 SG CYS A 22 9.514 -6.643 -4.404 1.00 0.00 S ATOM 0 H CYS A 22 11.285 -8.807 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 22 8.756 -7.671 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.525 -9.049 -4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.934 -8.405 -3.959 1.00 0.00 H new ATOM 77 N PRO A 23 7.960 -9.785 -0.567 1.00 0.00 N ATOM 78 CA PRO A 23 7.253 -10.975 -0.047 1.00 0.00 C ATOM 79 C PRO A 23 5.824 -11.060 -0.619 1.00 0.00 C ATOM 80 O PRO A 23 5.180 -10.020 -0.815 1.00 0.00 O ATOM 81 CB PRO A 23 7.200 -10.741 1.478 1.00 0.00 C ATOM 82 CG PRO A 23 7.892 -9.432 1.729 1.00 0.00 C ATOM 83 CD PRO A 23 7.891 -8.685 0.423 1.00 0.00 C ATOM 0 HA PRO A 23 7.752 -11.905 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.169 -10.709 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.695 -11.551 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.374 -8.862 2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.911 -9.594 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.991 -8.082 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.742 -8.009 0.340 1.00 0.00 H new ATOM 91 N MET A 24 5.335 -12.279 -0.880 1.00 0.00 N ATOM 92 CA MET A 24 3.990 -12.458 -1.444 1.00 0.00 C ATOM 93 C MET A 24 2.957 -12.793 -0.352 1.00 0.00 C ATOM 94 O MET A 24 2.753 -13.963 0.004 1.00 0.00 O ATOM 95 CB MET A 24 4.019 -13.541 -2.537 1.00 0.00 C ATOM 96 CG MET A 24 3.136 -13.231 -3.741 1.00 0.00 C ATOM 97 SD MET A 24 3.191 -14.517 -5.008 1.00 0.00 S ATOM 98 CE MET A 24 1.940 -15.657 -4.413 1.00 0.00 C ATOM 0 H MET A 24 5.843 -13.147 -0.712 1.00 0.00 H new ATOM 0 HA MET A 24 3.679 -11.516 -1.895 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.046 -13.672 -2.877 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.703 -14.490 -2.103 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.107 -13.103 -3.406 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.449 -12.283 -4.179 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.863 -16.502 -5.097 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.217 -16.016 -3.422 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.979 -15.146 -4.358 1.00 0.00 H new ATOM 108 N ILE A 25 2.325 -11.730 0.185 1.00 0.00 N ATOM 109 CA ILE A 25 1.281 -11.840 1.234 1.00 0.00 C ATOM 110 C ILE A 25 0.334 -10.651 1.057 1.00 0.00 C ATOM 111 O ILE A 25 0.800 -9.520 0.982 1.00 0.00 O ATOM 112 CB ILE A 25 1.854 -11.840 2.709 1.00 0.00 C ATOM 113 CG1 ILE A 25 2.815 -13.014 2.966 1.00 0.00 C ATOM 114 CG2 ILE A 25 0.732 -11.897 3.753 1.00 0.00 C ATOM 115 CD1 ILE A 25 4.280 -12.645 2.856 1.00 0.00 C ATOM 0 H ILE A 25 2.521 -10.769 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 25 0.778 -12.799 1.110 1.00 0.00 H new ATOM 0 HB ILE A 25 2.403 -10.904 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.625 -13.414 3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.597 -13.811 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.165 -11.895 4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.083 -11.029 3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.149 -12.807 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.893 -13.525 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.487 -12.273 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.516 -11.870 3.586 1.00 0.00 H new ATOM 127 N TYR A 26 -0.987 -10.892 1.043 1.00 0.00 N ATOM 128 CA TYR A 26 -1.945 -9.789 0.842 1.00 0.00 C ATOM 129 C TYR A 26 -2.237 -9.033 2.153 1.00 0.00 C ATOM 130 O TYR A 26 -3.027 -9.460 3.003 1.00 0.00 O ATOM 131 CB TYR A 26 -3.245 -10.290 0.158 1.00 0.00 C ATOM 132 CG TYR A 26 -3.937 -11.465 0.832 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.607 -12.773 0.507 1.00 0.00 C ATOM 134 CD2 TYR A 26 -4.924 -11.254 1.781 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.242 -13.840 1.112 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.567 -12.314 2.393 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.221 -13.605 2.056 1.00 0.00 C ATOM 138 OH TYR A 26 -5.858 -14.664 2.661 1.00 0.00 O ATOM 0 H TYR A 26 -1.409 -11.813 1.165 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.478 -9.072 0.167 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.949 -9.459 0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.008 -10.572 -0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.841 -12.960 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.196 -10.243 2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.974 -14.852 0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.335 -12.132 3.130 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.519 -14.326 3.301 1.00 0.00 H new ATOM 148 N ALA A 27 -1.520 -7.916 2.294 1.00 0.00 N ATOM 149 CA ALA A 27 -1.630 -7.014 3.442 1.00 0.00 C ATOM 150 C ALA A 27 -1.710 -5.549 2.965 1.00 0.00 C ATOM 151 O ALA A 27 -0.852 -5.139 2.176 1.00 0.00 O ATOM 152 CB ALA A 27 -0.446 -7.202 4.391 1.00 0.00 C ATOM 0 H ALA A 27 -0.836 -7.608 1.603 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.544 -7.255 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.547 -6.523 5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.428 -8.231 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.482 -6.987 3.862 1.00 0.00 H new ATOM 158 N PRO A 28 -2.732 -4.729 3.386 1.00 0.00 N ATOM 159 CA PRO A 28 -2.813 -3.305 2.982 1.00 0.00 C ATOM 160 C PRO A 28 -1.915 -2.397 3.846 1.00 0.00 C ATOM 161 O PRO A 28 -1.969 -2.461 5.081 1.00 0.00 O ATOM 162 CB PRO A 28 -4.300 -2.945 3.192 1.00 0.00 C ATOM 163 CG PRO A 28 -4.982 -4.209 3.632 1.00 0.00 C ATOM 164 CD PRO A 28 -3.911 -5.094 4.205 1.00 0.00 C ATOM 0 HA PRO A 28 -2.469 -3.159 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.408 -2.163 3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.742 -2.565 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.749 -3.997 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.478 -4.695 2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.746 -4.900 5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.162 -6.150 4.110 1.00 0.00 H new ATOM 172 N ILE A 29 -1.082 -1.573 3.188 1.00 0.00 N ATOM 173 CA ILE A 29 -0.175 -0.654 3.905 1.00 0.00 C ATOM 174 C ILE A 29 -0.401 0.801 3.469 1.00 0.00 C ATOM 175 O ILE A 29 -0.581 1.083 2.279 1.00 0.00 O ATOM 176 CB ILE A 29 1.337 -1.031 3.688 1.00 0.00 C ATOM 177 CG1 ILE A 29 1.593 -2.519 3.971 1.00 0.00 C ATOM 178 CG2 ILE A 29 2.274 -0.190 4.561 1.00 0.00 C ATOM 179 CD1 ILE A 29 1.619 -3.376 2.727 1.00 0.00 C ATOM 0 H ILE A 29 -1.016 -1.522 2.171 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.408 -0.754 4.965 1.00 0.00 H new ATOM 0 HB ILE A 29 1.552 -0.819 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.544 -2.622 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.819 -2.891 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.307 -0.486 4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.150 0.865 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.033 -0.350 5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.804 -4.414 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.660 -3.303 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.412 -3.030 2.064 1.00 0.00 H new ATOM 191 N CYS A 30 -0.385 1.712 4.463 1.00 0.00 N ATOM 192 CA CYS A 30 -0.548 3.149 4.225 1.00 0.00 C ATOM 193 C CYS A 30 0.813 3.847 4.278 1.00 0.00 C ATOM 194 O CYS A 30 1.659 3.511 5.116 1.00 0.00 O ATOM 195 CB CYS A 30 -1.489 3.766 5.261 1.00 0.00 C ATOM 196 SG CYS A 30 -1.709 5.569 5.079 1.00 0.00 S ATOM 0 H CYS A 30 -0.259 1.468 5.445 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.984 3.286 3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.463 3.282 5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.103 3.556 6.259 1.00 0.00 H new ATOM 201 N ALA A 31 1.009 4.819 3.376 1.00 0.00 N ATOM 202 CA ALA A 31 2.249 5.588 3.293 1.00 0.00 C ATOM 203 C ALA A 31 1.921 7.059 3.037 1.00 0.00 C ATOM 204 O ALA A 31 1.206 7.377 2.080 1.00 0.00 O ATOM 205 CB ALA A 31 3.165 5.039 2.200 1.00 0.00 C ATOM 0 H ALA A 31 0.309 5.091 2.685 1.00 0.00 H new ATOM 0 HA ALA A 31 2.781 5.500 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.080 5.630 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.413 4.001 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.656 5.094 1.238 1.00 0.00 H new ATOM 211 N THR A 32 2.462 7.950 3.878 1.00 0.00 N ATOM 212 CA THR A 32 2.193 9.389 3.767 1.00 0.00 C ATOM 213 C THR A 32 3.472 10.207 3.588 1.00 0.00 C ATOM 214 O THR A 32 4.472 9.980 4.277 1.00 0.00 O ATOM 215 CB THR A 32 1.385 9.948 4.993 1.00 0.00 C ATOM 216 OG1 THR A 32 1.101 11.341 4.802 1.00 0.00 O ATOM 217 CG2 THR A 32 2.114 9.776 6.334 1.00 0.00 C ATOM 0 H THR A 32 3.089 7.699 4.643 1.00 0.00 H new ATOM 0 HA THR A 32 1.580 9.497 2.872 1.00 0.00 H new ATOM 0 HB THR A 32 0.466 9.363 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.139 11.462 4.662 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.500 10.183 7.137 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.294 8.717 6.517 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.066 10.306 6.301 1.00 0.00 H new ATOM 225 N ASP A 33 3.410 11.148 2.650 1.00 0.00 N ATOM 226 CA ASP A 33 4.528 12.070 2.390 1.00 0.00 C ATOM 227 C ASP A 33 4.177 13.499 2.882 1.00 0.00 C ATOM 228 O ASP A 33 4.728 14.495 2.391 1.00 0.00 O ATOM 229 CB ASP A 33 4.868 12.069 0.888 1.00 0.00 C ATOM 230 CG ASP A 33 6.301 12.498 0.609 1.00 0.00 C ATOM 231 OD1 ASP A 33 7.192 11.623 0.603 1.00 0.00 O ATOM 232 OD2 ASP A 33 6.527 13.708 0.397 1.00 0.00 O ATOM 0 H ASP A 33 2.597 11.298 2.052 1.00 0.00 H new ATOM 0 HA ASP A 33 5.405 11.733 2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.707 11.069 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.185 12.738 0.365 1.00 0.00 H new ATOM 237 N GLY A 34 3.276 13.576 3.884 1.00 0.00 N ATOM 238 CA GLY A 34 2.816 14.868 4.426 1.00 0.00 C ATOM 239 C GLY A 34 1.474 15.247 3.819 1.00 0.00 C ATOM 240 O GLY A 34 0.612 15.849 4.468 1.00 0.00 O ATOM 0 H GLY A 34 2.855 12.761 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.727 14.804 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.552 15.643 4.211 1.00 0.00 H new ATOM 244 N VAL A 35 1.348 14.869 2.547 1.00 0.00 N ATOM 245 CA VAL A 35 0.157 15.038 1.708 1.00 0.00 C ATOM 246 C VAL A 35 -0.756 13.814 1.909 1.00 0.00 C ATOM 247 O VAL A 35 -0.341 12.836 2.546 1.00 0.00 O ATOM 248 CB VAL A 35 0.532 15.273 0.185 1.00 0.00 C ATOM 249 CG1 VAL A 35 1.774 14.487 -0.246 1.00 0.00 C ATOM 250 CG2 VAL A 35 -0.619 14.963 -0.771 1.00 0.00 C ATOM 0 H VAL A 35 2.111 14.413 2.047 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.380 15.936 2.012 1.00 0.00 H new ATOM 0 HB VAL A 35 0.752 16.338 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.984 14.686 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.627 14.794 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.596 13.421 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.299 15.144 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.912 13.919 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.469 15.605 -0.538 1.00 0.00 H new ATOM 260 N SER A 36 -1.998 13.888 1.391 1.00 0.00 N ATOM 261 CA SER A 36 -2.968 12.784 1.522 1.00 0.00 C ATOM 262 C SER A 36 -2.314 11.491 1.023 1.00 0.00 C ATOM 263 O SER A 36 -1.795 11.419 -0.098 1.00 0.00 O ATOM 264 CB SER A 36 -4.243 13.087 0.728 1.00 0.00 C ATOM 265 OG SER A 36 -4.869 14.267 1.197 1.00 0.00 O ATOM 0 H SER A 36 -2.351 14.697 0.880 1.00 0.00 H new ATOM 0 HA SER A 36 -3.251 12.669 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.999 13.197 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.934 12.248 0.810 1.00 0.00 H new ATOM 0 HG SER A 36 -5.679 14.438 0.672 1.00 0.00 H new ATOM 271 N GLN A 37 -2.353 10.487 1.900 1.00 0.00 N ATOM 272 CA GLN A 37 -1.674 9.202 1.707 1.00 0.00 C ATOM 273 C GLN A 37 -2.391 8.238 0.768 1.00 0.00 C ATOM 274 O GLN A 37 -3.577 8.394 0.459 1.00 0.00 O ATOM 275 CB GLN A 37 -1.424 8.524 3.073 1.00 0.00 C ATOM 276 CG GLN A 37 -2.479 8.784 4.147 1.00 0.00 C ATOM 277 CD GLN A 37 -2.196 10.007 5.020 1.00 0.00 C ATOM 278 OE1 GLN A 37 -1.599 11.048 4.435 1.00 0.00 O flip ATOM 279 NE2 GLN A 37 -2.523 10.020 6.206 1.00 0.00 N flip ATOM 0 H GLN A 37 -2.866 10.544 2.780 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.730 9.440 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.351 7.448 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.458 8.857 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.448 8.912 3.665 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.555 7.905 4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.978 9.205 6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.340 10.845 6.777 1.00 0.00 H new ATOM 288 N ARG A 38 -1.613 7.242 0.335 1.00 0.00 N ATOM 289 CA ARG A 38 -2.072 6.213 -0.593 1.00 0.00 C ATOM 290 C ARG A 38 -1.899 4.814 0.009 1.00 0.00 C ATOM 291 O ARG A 38 -1.039 4.596 0.872 1.00 0.00 O ATOM 292 CB ARG A 38 -1.297 6.333 -1.913 1.00 0.00 C ATOM 293 CG ARG A 38 -2.072 5.847 -3.123 1.00 0.00 C ATOM 294 CD ARG A 38 -1.206 5.818 -4.374 1.00 0.00 C ATOM 295 NE ARG A 38 -1.954 5.363 -5.552 1.00 0.00 N ATOM 296 CZ ARG A 38 -1.479 5.348 -6.809 1.00 0.00 C ATOM 297 NH1 ARG A 38 -0.242 5.760 -7.088 1.00 0.00 N ATOM 298 NH2 ARG A 38 -2.254 4.916 -7.795 1.00 0.00 N ATOM 0 H ARG A 38 -0.641 7.129 0.622 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.135 6.361 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.018 7.375 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.371 5.763 -1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.462 4.848 -2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.931 6.497 -3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.807 6.815 -4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.354 5.159 -4.209 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.908 5.033 -5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.365 6.095 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.098 5.740 -8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.203 4.598 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.901 4.901 -8.752 1.00 0.00 H new ATOM 312 N THR A 39 -2.729 3.879 -0.469 1.00 0.00 N ATOM 313 CA THR A 39 -2.702 2.489 -0.011 1.00 0.00 C ATOM 314 C THR A 39 -2.186 1.574 -1.126 1.00 0.00 C ATOM 315 O THR A 39 -2.733 1.562 -2.236 1.00 0.00 O ATOM 316 CB THR A 39 -4.103 2.001 0.458 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.944 3.116 0.791 1.00 0.00 O ATOM 318 CG2 THR A 39 -3.989 1.087 1.676 1.00 0.00 C ATOM 0 H THR A 39 -3.435 4.066 -1.181 1.00 0.00 H new ATOM 0 HA THR A 39 -2.028 2.444 0.845 1.00 0.00 H new ATOM 0 HB THR A 39 -4.545 1.443 -0.368 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.821 2.789 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.984 0.762 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.384 0.216 1.422 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.518 1.630 2.495 1.00 0.00 H new ATOM 326 N PHE A 40 -1.122 0.820 -0.813 1.00 0.00 N ATOM 327 CA PHE A 40 -0.499 -0.115 -1.760 1.00 0.00 C ATOM 328 C PHE A 40 -0.925 -1.553 -1.448 1.00 0.00 C ATOM 329 O PHE A 40 -1.438 -1.833 -0.356 1.00 0.00 O ATOM 330 CB PHE A 40 1.044 -0.009 -1.696 1.00 0.00 C ATOM 331 CG PHE A 40 1.630 1.341 -2.089 1.00 0.00 C ATOM 332 CD1 PHE A 40 1.428 2.476 -1.306 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.396 1.468 -3.241 1.00 0.00 C ATOM 334 CE1 PHE A 40 1.969 3.695 -1.666 1.00 0.00 C ATOM 335 CE2 PHE A 40 2.942 2.687 -3.604 1.00 0.00 C ATOM 336 CZ PHE A 40 2.726 3.800 -2.816 1.00 0.00 C ATOM 0 H PHE A 40 -0.671 0.841 0.101 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.832 0.149 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.364 -0.242 -0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.470 -0.773 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.839 2.401 -0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.568 0.602 -3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.800 4.565 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.536 2.767 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.149 4.753 -3.099 1.00 0.00 H new ATOM 346 N SER A 41 -0.707 -2.464 -2.413 1.00 0.00 N ATOM 347 CA SER A 41 -1.049 -3.885 -2.252 1.00 0.00 C ATOM 348 C SER A 41 -0.052 -4.598 -1.324 1.00 0.00 C ATOM 349 O SER A 41 -0.418 -5.557 -0.638 1.00 0.00 O ATOM 350 CB SER A 41 -1.079 -4.575 -3.621 1.00 0.00 C ATOM 351 OG SER A 41 -1.715 -5.842 -3.549 1.00 0.00 O ATOM 0 H SER A 41 -0.293 -2.237 -3.317 1.00 0.00 H new ATOM 0 HA SER A 41 -2.037 -3.945 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.604 -3.943 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.061 -4.698 -3.991 1.00 0.00 H new ATOM 0 HG SER A 41 -1.720 -6.256 -4.437 1.00 0.00 H new ATOM 357 N ASN A 42 1.206 -4.098 -1.303 1.00 0.00 N ATOM 358 CA ASN A 42 2.295 -4.658 -0.476 1.00 0.00 C ATOM 359 C ASN A 42 3.481 -3.660 -0.413 1.00 0.00 C ATOM 360 O ASN A 42 3.502 -2.709 -1.204 1.00 0.00 O ATOM 361 CB ASN A 42 2.786 -6.030 -1.020 1.00 0.00 C ATOM 362 CG ASN A 42 2.152 -7.197 -0.314 1.00 0.00 C ATOM 363 OD1 ASN A 42 2.545 -7.556 0.796 1.00 0.00 O ATOM 364 ND2 ASN A 42 1.173 -7.811 -0.969 1.00 0.00 N ATOM 0 H ASN A 42 1.492 -3.294 -1.861 1.00 0.00 H new ATOM 0 HA ASN A 42 1.899 -4.820 0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.566 -6.093 -2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.869 -6.091 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.710 -8.619 -0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.884 -7.474 -1.887 1.00 0.00 H new ATOM 371 N PRO A 43 4.505 -3.837 0.513 1.00 0.00 N ATOM 372 CA PRO A 43 5.669 -2.908 0.603 1.00 0.00 C ATOM 373 C PRO A 43 6.547 -2.889 -0.661 1.00 0.00 C ATOM 374 O PRO A 43 7.290 -1.929 -0.884 1.00 0.00 O ATOM 375 CB PRO A 43 6.476 -3.444 1.797 1.00 0.00 C ATOM 376 CG PRO A 43 5.516 -4.278 2.569 1.00 0.00 C ATOM 377 CD PRO A 43 4.625 -4.908 1.541 1.00 0.00 C ATOM 0 HA PRO A 43 5.331 -1.878 0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.330 -4.033 1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.869 -2.629 2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.036 -5.035 3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.942 -3.671 3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.062 -5.818 1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.655 -5.180 1.958 1.00 0.00 H new ATOM 385 N CYS A 44 6.434 -3.951 -1.490 1.00 0.00 N ATOM 386 CA CYS A 44 7.198 -4.084 -2.748 1.00 0.00 C ATOM 387 C CYS A 44 6.878 -2.949 -3.738 1.00 0.00 C ATOM 388 O CYS A 44 7.791 -2.362 -4.329 1.00 0.00 O ATOM 389 CB CYS A 44 6.900 -5.449 -3.392 1.00 0.00 C ATOM 390 SG CYS A 44 7.774 -5.766 -4.967 1.00 0.00 S ATOM 0 H CYS A 44 5.812 -4.738 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 44 8.258 -4.015 -2.505 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.163 -6.234 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.827 -5.525 -3.567 1.00 0.00 H new ATOM 395 N ASP A 45 5.574 -2.658 -3.904 1.00 0.00 N ATOM 396 CA ASP A 45 5.097 -1.596 -4.805 1.00 0.00 C ATOM 397 C ASP A 45 5.410 -0.188 -4.271 1.00 0.00 C ATOM 398 O ASP A 45 5.563 0.751 -5.059 1.00 0.00 O ATOM 399 CB ASP A 45 3.589 -1.734 -5.050 1.00 0.00 C ATOM 400 CG ASP A 45 3.237 -2.946 -5.896 1.00 0.00 C ATOM 401 OD1 ASP A 45 3.016 -4.031 -5.317 1.00 0.00 O ATOM 402 OD2 ASP A 45 3.182 -2.808 -7.136 1.00 0.00 O ATOM 0 H ASP A 45 4.825 -3.152 -3.418 1.00 0.00 H new ATOM 0 HA ASP A 45 5.633 -1.719 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.075 -1.804 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.222 -0.834 -5.543 1.00 0.00 H new ATOM 407 N LEU A 46 5.504 -0.051 -2.928 1.00 0.00 N ATOM 408 CA LEU A 46 5.788 1.226 -2.282 1.00 0.00 C ATOM 409 C LEU A 46 7.277 1.586 -2.305 1.00 0.00 C ATOM 410 O LEU A 46 7.647 2.627 -2.838 1.00 0.00 O ATOM 411 CB LEU A 46 5.301 1.078 -0.824 1.00 0.00 C ATOM 412 CG LEU A 46 5.537 2.221 0.194 1.00 0.00 C ATOM 413 CD1 LEU A 46 6.939 2.206 0.799 1.00 0.00 C ATOM 414 CD2 LEU A 46 5.200 3.600 -0.370 1.00 0.00 C ATOM 0 H LEU A 46 5.384 -0.826 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 46 5.282 2.032 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.228 0.892 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.767 0.181 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 46 4.836 2.022 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.040 3.031 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.100 1.262 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.679 2.314 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.386 4.359 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.823 3.799 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.150 3.627 -0.661 1.00 0.00 H new ATOM 426 N LYS A 47 8.113 0.681 -1.767 1.00 0.00 N ATOM 427 CA LYS A 47 9.575 0.865 -1.691 1.00 0.00 C ATOM 428 C LYS A 47 10.205 1.152 -3.059 1.00 0.00 C ATOM 429 O LYS A 47 11.172 1.914 -3.160 1.00 0.00 O ATOM 430 CB LYS A 47 10.191 -0.374 -1.048 1.00 0.00 C ATOM 431 CG LYS A 47 10.050 -0.389 0.468 1.00 0.00 C ATOM 432 CD LYS A 47 9.714 -1.775 0.985 1.00 0.00 C ATOM 433 CE LYS A 47 9.726 -1.821 2.504 1.00 0.00 C ATOM 434 NZ LYS A 47 9.507 -3.200 3.021 1.00 0.00 N ATOM 0 H LYS A 47 7.793 -0.203 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 47 9.781 1.743 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.717 -1.265 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.248 -0.425 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.979 -0.046 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.270 0.311 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.732 -2.073 0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.432 -2.495 0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.680 -1.443 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.951 -1.160 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.781 -3.180 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.190 -3.815 2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.397 -3.569 3.414 1.00 0.00 H new ATOM 448 N VAL A 48 9.637 0.526 -4.093 1.00 0.00 N ATOM 449 CA VAL A 48 10.050 0.723 -5.487 1.00 0.00 C ATOM 450 C VAL A 48 9.611 2.111 -5.999 1.00 0.00 C ATOM 451 O VAL A 48 10.330 2.763 -6.751 1.00 0.00 O ATOM 452 CB VAL A 48 9.492 -0.437 -6.374 1.00 0.00 C ATOM 453 CG1 VAL A 48 8.198 -0.097 -7.123 1.00 0.00 C ATOM 454 CG2 VAL A 48 10.559 -0.941 -7.338 1.00 0.00 C ATOM 0 H VAL A 48 8.870 -0.138 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 48 11.138 0.696 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 48 9.224 -1.232 -5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.882 -0.957 -7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.418 0.157 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.373 0.752 -7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.149 -1.748 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.878 -0.125 -7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.414 -1.311 -6.773 1.00 0.00 H new ATOM 464 N TYR A 49 8.429 2.546 -5.530 1.00 0.00 N ATOM 465 CA TYR A 49 7.811 3.826 -5.928 1.00 0.00 C ATOM 466 C TYR A 49 8.627 5.054 -5.484 1.00 0.00 C ATOM 467 O TYR A 49 8.877 5.950 -6.279 1.00 0.00 O ATOM 468 CB TYR A 49 6.384 3.906 -5.350 1.00 0.00 C ATOM 469 CG TYR A 49 5.413 4.738 -6.174 1.00 0.00 C ATOM 470 CD1 TYR A 49 5.296 6.111 -5.971 1.00 0.00 C ATOM 471 CD2 TYR A 49 4.617 4.149 -7.149 1.00 0.00 C ATOM 472 CE1 TYR A 49 4.414 6.869 -6.719 1.00 0.00 C ATOM 473 CE2 TYR A 49 3.734 4.903 -7.900 1.00 0.00 C ATOM 474 CZ TYR A 49 3.636 6.260 -7.681 1.00 0.00 C ATOM 475 OH TYR A 49 2.760 7.014 -8.426 1.00 0.00 O ATOM 0 H TYR A 49 7.871 2.017 -4.860 1.00 0.00 H new ATOM 0 HA TYR A 49 7.784 3.847 -7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.987 2.895 -5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.436 4.323 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.903 6.591 -5.218 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.689 3.086 -7.323 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.335 7.933 -6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.124 4.430 -8.655 1.00 0.00 H new ATOM 0 HH TYR A 49 2.288 6.435 -9.061 1.00 0.00 H new ATOM 485 N ASN A 50 9.043 5.060 -4.214 1.00 0.00 N ATOM 486 CA ASN A 50 9.817 6.173 -3.608 1.00 0.00 C ATOM 487 C ASN A 50 11.274 6.236 -4.076 1.00 0.00 C ATOM 488 O ASN A 50 11.858 7.323 -4.159 1.00 0.00 O ATOM 489 CB ASN A 50 9.786 6.085 -2.072 1.00 0.00 C ATOM 490 CG ASN A 50 9.436 4.706 -1.563 1.00 0.00 C ATOM 491 OD1 ASN A 50 10.307 3.856 -1.390 1.00 0.00 O ATOM 492 ND2 ASN A 50 8.152 4.481 -1.313 1.00 0.00 N ATOM 0 H ASN A 50 8.857 4.295 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 50 9.328 7.086 -3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.760 6.375 -1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.061 6.802 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.853 3.571 -0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.465 5.218 -1.472 1.00 0.00 H new ATOM 499 N CYS A 51 11.843 5.065 -4.374 1.00 0.00 N ATOM 500 CA CYS A 51 13.248 4.925 -4.801 1.00 0.00 C ATOM 501 C CYS A 51 13.586 5.687 -6.097 1.00 0.00 C ATOM 502 O CYS A 51 14.498 6.522 -6.096 1.00 0.00 O ATOM 503 CB CYS A 51 13.580 3.437 -4.963 1.00 0.00 C ATOM 504 SG CYS A 51 15.344 3.077 -5.291 1.00 0.00 S ATOM 0 H CYS A 51 11.342 4.178 -4.327 1.00 0.00 H new ATOM 0 HA CYS A 51 13.861 5.377 -4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.278 2.911 -4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 51 12.983 3.033 -5.780 1.00 0.00 H new ATOM 509 N TRP A 52 12.856 5.401 -7.185 1.00 0.00 N ATOM 510 CA TRP A 52 13.125 6.044 -8.487 1.00 0.00 C ATOM 511 C TRP A 52 12.244 7.269 -8.814 1.00 0.00 C ATOM 512 O TRP A 52 12.490 7.963 -9.807 1.00 0.00 O ATOM 513 CB TRP A 52 13.116 4.996 -9.603 1.00 0.00 C ATOM 514 CG TRP A 52 11.854 4.209 -9.823 1.00 0.00 C ATOM 515 CD1 TRP A 52 11.523 3.007 -9.276 1.00 0.00 C ATOM 516 CD2 TRP A 52 10.795 4.560 -10.703 1.00 0.00 C ATOM 517 NE1 TRP A 52 10.307 2.587 -9.766 1.00 0.00 N ATOM 518 CE2 TRP A 52 9.839 3.530 -10.647 1.00 0.00 C ATOM 519 CE3 TRP A 52 10.564 5.658 -11.526 1.00 0.00 C ATOM 520 CZ2 TRP A 52 8.667 3.566 -11.397 1.00 0.00 C ATOM 521 CZ3 TRP A 52 9.401 5.701 -12.267 1.00 0.00 C ATOM 522 CH2 TRP A 52 8.464 4.659 -12.202 1.00 0.00 C ATOM 0 H TRP A 52 12.082 4.737 -7.194 1.00 0.00 H new ATOM 0 HA TRP A 52 14.124 6.474 -8.409 1.00 0.00 H new ATOM 0 HB2 TRP A 52 13.361 5.501 -10.537 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.920 4.288 -9.403 1.00 0.00 H new ATOM 0 HD1 TRP A 52 12.125 2.463 -8.563 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.833 1.719 -9.516 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.282 6.462 -11.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.945 2.764 -11.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.209 6.550 -12.907 1.00 0.00 H new ATOM 0 HH2 TRP A 52 7.565 4.718 -12.797 1.00 0.00 H new ATOM 533 N ASN A 53 11.232 7.505 -7.988 1.00 0.00 N ATOM 534 CA ASN A 53 10.332 8.661 -8.123 1.00 0.00 C ATOM 535 C ASN A 53 10.683 9.753 -7.078 1.00 0.00 C ATOM 536 O ASN A 53 10.153 9.733 -5.957 1.00 0.00 O ATOM 537 CB ASN A 53 8.860 8.244 -7.963 1.00 0.00 C ATOM 538 CG ASN A 53 8.372 7.297 -9.043 1.00 0.00 C ATOM 539 OD1 ASN A 53 8.981 6.122 -9.113 1.00 0.00 O flip ATOM 540 ND2 ASN A 53 7.460 7.622 -9.805 1.00 0.00 N flip ATOM 0 H ASN A 53 11.005 6.900 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 53 10.469 9.068 -9.125 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.730 7.769 -6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.236 9.138 -7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.021 8.538 -9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.144 6.975 -10.528 1.00 0.00 H new ATOM 547 N PRO A 54 11.613 10.711 -7.409 1.00 0.00 N ATOM 548 CA PRO A 54 12.012 11.809 -6.482 1.00 0.00 C ATOM 549 C PRO A 54 10.917 12.880 -6.275 1.00 0.00 C ATOM 550 O PRO A 54 10.772 13.423 -5.176 1.00 0.00 O ATOM 551 CB PRO A 54 13.231 12.427 -7.192 1.00 0.00 C ATOM 552 CG PRO A 54 12.986 12.159 -8.638 1.00 0.00 C ATOM 553 CD PRO A 54 12.381 10.787 -8.680 1.00 0.00 C ATOM 0 HA PRO A 54 12.207 11.430 -5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.309 13.496 -6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.162 11.971 -6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.313 12.901 -9.069 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.913 12.200 -9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.735 10.659 -9.548 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.146 10.012 -8.735 1.00 0.00 H new ATOM 561 N ASP A 55 10.164 13.163 -7.355 1.00 0.00 N ATOM 562 CA ASP A 55 9.083 14.169 -7.347 1.00 0.00 C ATOM 563 C ASP A 55 7.822 13.712 -6.581 1.00 0.00 C ATOM 564 O ASP A 55 7.122 14.552 -6.005 1.00 0.00 O ATOM 565 CB ASP A 55 8.711 14.533 -8.790 1.00 0.00 C ATOM 566 CG ASP A 55 8.334 15.996 -8.953 1.00 0.00 C ATOM 567 OD1 ASP A 55 7.150 16.331 -8.740 1.00 0.00 O ATOM 568 OD2 ASP A 55 9.225 16.804 -9.290 1.00 0.00 O ATOM 0 H ASP A 55 10.287 12.702 -8.256 1.00 0.00 H new ATOM 0 HA ASP A 55 9.468 15.040 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.552 14.305 -9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.877 13.910 -9.113 1.00 0.00 H new ATOM 573 N ASN A 56 7.536 12.394 -6.578 1.00 0.00 N ATOM 574 CA ASN A 56 6.357 11.857 -5.886 1.00 0.00 C ATOM 575 C ASN A 56 6.716 10.667 -4.950 1.00 0.00 C ATOM 576 O ASN A 56 6.281 9.531 -5.195 1.00 0.00 O ATOM 577 CB ASN A 56 5.297 11.441 -6.919 1.00 0.00 C ATOM 578 CG ASN A 56 4.459 12.612 -7.399 1.00 0.00 C ATOM 579 OD1 ASN A 56 4.798 13.273 -8.380 1.00 0.00 O ATOM 580 ND2 ASN A 56 3.357 12.875 -6.705 1.00 0.00 N ATOM 0 H ASN A 56 8.105 11.689 -7.046 1.00 0.00 H new ATOM 0 HA ASN A 56 5.953 12.644 -5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.790 10.977 -7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.644 10.687 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.754 13.651 -6.979 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.114 12.301 -5.898 1.00 0.00 H new ATOM 587 N PRO A 57 7.531 10.892 -3.859 1.00 0.00 N ATOM 588 CA PRO A 57 7.912 9.826 -2.901 1.00 0.00 C ATOM 589 C PRO A 57 6.847 9.565 -1.820 1.00 0.00 C ATOM 590 O PRO A 57 6.016 10.434 -1.546 1.00 0.00 O ATOM 591 CB PRO A 57 9.204 10.368 -2.248 1.00 0.00 C ATOM 592 CG PRO A 57 9.480 11.695 -2.896 1.00 0.00 C ATOM 593 CD PRO A 57 8.174 12.167 -3.471 1.00 0.00 C ATOM 0 HA PRO A 57 8.032 8.869 -3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.078 10.480 -1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.035 9.680 -2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.865 12.410 -2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.235 11.597 -3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.581 12.717 -2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.319 12.828 -4.326 1.00 0.00 H new ATOM 601 N TYR A 58 6.872 8.353 -1.230 1.00 0.00 N ATOM 602 CA TYR A 58 5.944 7.977 -0.157 1.00 0.00 C ATOM 603 C TYR A 58 6.697 7.260 0.961 1.00 0.00 C ATOM 604 O TYR A 58 7.570 6.428 0.689 1.00 0.00 O ATOM 605 CB TYR A 58 4.810 7.087 -0.687 1.00 0.00 C ATOM 606 CG TYR A 58 3.759 7.823 -1.500 1.00 0.00 C ATOM 607 CD1 TYR A 58 3.895 7.977 -2.876 1.00 0.00 C ATOM 608 CD2 TYR A 58 2.629 8.359 -0.891 1.00 0.00 C ATOM 609 CE1 TYR A 58 2.940 8.645 -3.618 1.00 0.00 C ATOM 610 CE2 TYR A 58 1.670 9.027 -1.627 1.00 0.00 C ATOM 611 CZ TYR A 58 1.830 9.168 -2.989 1.00 0.00 C ATOM 612 OH TYR A 58 0.876 9.833 -3.724 1.00 0.00 O ATOM 0 H TYR A 58 7.531 7.617 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 58 5.498 8.890 0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.242 6.299 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.323 6.600 0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.762 7.567 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.499 8.251 0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.062 8.757 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.799 9.437 -1.138 1.00 0.00 H new ATOM 0 HH TYR A 58 0.159 10.138 -3.130 1.00 0.00 H new ATOM 622 N LYS A 59 6.349 7.583 2.215 1.00 0.00 N ATOM 623 CA LYS A 59 6.999 6.985 3.382 1.00 0.00 C ATOM 624 C LYS A 59 6.002 6.145 4.176 1.00 0.00 C ATOM 625 O LYS A 59 4.860 6.562 4.380 1.00 0.00 O ATOM 626 CB LYS A 59 7.618 8.075 4.267 1.00 0.00 C ATOM 627 CG LYS A 59 8.881 8.723 3.688 1.00 0.00 C ATOM 628 CD LYS A 59 10.152 8.042 4.184 1.00 0.00 C ATOM 629 CE LYS A 59 11.394 8.664 3.567 1.00 0.00 C ATOM 630 NZ LYS A 59 12.642 8.019 4.059 1.00 0.00 N ATOM 0 H LYS A 59 5.619 8.257 2.444 1.00 0.00 H new ATOM 0 HA LYS A 59 7.799 6.330 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.873 8.852 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.859 7.643 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.846 8.676 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.905 9.778 3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.207 8.118 5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.116 6.980 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.343 8.575 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.420 9.729 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.466 8.472 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.704 8.125 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.630 7.008 3.815 1.00 0.00 H new ATOM 644 N GLU A 60 6.462 4.977 4.655 1.00 0.00 N ATOM 645 CA GLU A 60 5.622 4.022 5.402 1.00 0.00 C ATOM 646 C GLU A 60 5.254 4.497 6.821 1.00 0.00 C ATOM 647 O GLU A 60 6.124 4.737 7.666 1.00 0.00 O ATOM 648 CB GLU A 60 6.322 2.657 5.466 1.00 0.00 C ATOM 649 CG GLU A 60 5.409 1.481 5.143 1.00 0.00 C ATOM 650 CD GLU A 60 6.129 0.150 5.209 1.00 0.00 C ATOM 651 OE1 GLU A 60 6.165 -0.452 6.304 1.00 0.00 O ATOM 652 OE2 GLU A 60 6.658 -0.293 4.169 1.00 0.00 O ATOM 0 H GLU A 60 7.426 4.667 4.536 1.00 0.00 H new ATOM 0 HA GLU A 60 4.682 3.942 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.160 2.656 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.737 2.519 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.572 1.473 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.990 1.614 4.146 1.00 0.00 H new ATOM 659 N VAL A 61 3.935 4.642 7.034 1.00 0.00 N ATOM 660 CA VAL A 61 3.352 5.050 8.326 1.00 0.00 C ATOM 661 C VAL A 61 2.979 3.835 9.181 1.00 0.00 C ATOM 662 O VAL A 61 3.305 3.796 10.373 1.00 0.00 O ATOM 663 CB VAL A 61 2.059 5.920 8.160 1.00 0.00 C ATOM 664 CG1 VAL A 61 2.156 7.207 8.960 1.00 0.00 C ATOM 665 CG2 VAL A 61 1.746 6.233 6.702 1.00 0.00 C ATOM 0 H VAL A 61 3.237 4.478 6.309 1.00 0.00 H new ATOM 0 HA VAL A 61 4.127 5.642 8.813 1.00 0.00 H new ATOM 0 HB VAL A 61 1.236 5.321 8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.244 7.789 8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.282 6.970 10.016 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.012 7.787 8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.841 6.838 6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.578 6.783 6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.595 5.303 6.154 1.00 0.00 H new ATOM 675 N LYS A 62 2.304 2.842 8.558 1.00 0.00 N ATOM 676 CA LYS A 62 1.843 1.615 9.258 1.00 0.00 C ATOM 677 C LYS A 62 1.204 0.626 8.272 1.00 0.00 C ATOM 678 O LYS A 62 0.902 0.995 7.130 1.00 0.00 O ATOM 679 CB LYS A 62 0.783 1.982 10.327 1.00 0.00 C ATOM 680 CG LYS A 62 0.790 1.103 11.583 1.00 0.00 C ATOM 681 CD LYS A 62 -0.356 0.098 11.574 1.00 0.00 C ATOM 682 CE LYS A 62 -0.322 -0.816 12.793 1.00 0.00 C ATOM 683 NZ LYS A 62 0.712 -1.885 12.670 1.00 0.00 N ATOM 0 H LYS A 62 2.064 2.865 7.567 1.00 0.00 H new ATOM 0 HA LYS A 62 2.714 1.154 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.937 3.018 10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.205 1.926 9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.739 0.572 11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.714 1.734 12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.306 0.632 11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.303 -0.505 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.123 -0.222 13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.302 -1.275 12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.698 -2.481 13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.509 -2.470 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.651 -1.450 12.568 1.00 0.00 H new ATOM 697 N VAL A 63 0.996 -0.632 8.725 1.00 0.00 N ATOM 698 CA VAL A 63 0.328 -1.640 7.895 1.00 0.00 C ATOM 699 C VAL A 63 -1.142 -1.705 8.338 1.00 0.00 C ATOM 700 O VAL A 63 -1.484 -2.310 9.364 1.00 0.00 O ATOM 701 CB VAL A 63 1.015 -3.045 8.001 1.00 0.00 C ATOM 702 CG1 VAL A 63 0.372 -4.077 7.064 1.00 0.00 C ATOM 703 CG2 VAL A 63 2.503 -2.939 7.689 1.00 0.00 C ATOM 0 H VAL A 63 1.279 -0.962 9.648 1.00 0.00 H new ATOM 0 HA VAL A 63 0.400 -1.354 6.846 1.00 0.00 H new ATOM 0 HB VAL A 63 0.876 -3.386 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.882 -5.034 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.681 -4.195 7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.458 -3.735 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.962 -3.924 7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.636 -2.556 6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.976 -2.260 8.399 1.00 0.00 H new ATOM 713 N GLY A 64 -1.981 -1.045 7.542 1.00 0.00 N ATOM 714 CA GLY A 64 -3.411 -0.977 7.803 1.00 0.00 C ATOM 715 C GLY A 64 -4.122 -0.069 6.816 1.00 0.00 C ATOM 716 O GLY A 64 -3.595 0.222 5.734 1.00 0.00 O ATOM 0 H GLY A 64 -1.687 -0.546 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.838 -1.978 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.578 -0.614 8.817 1.00 0.00 H new ATOM 720 N GLU A 65 -5.328 0.367 7.196 1.00 0.00 N ATOM 721 CA GLU A 65 -6.114 1.301 6.394 1.00 0.00 C ATOM 722 C GLU A 65 -6.208 2.633 7.136 1.00 0.00 C ATOM 723 O GLU A 65 -6.898 2.745 8.160 1.00 0.00 O ATOM 724 CB GLU A 65 -7.512 0.742 6.081 1.00 0.00 C ATOM 725 CG GLU A 65 -7.543 -0.191 4.875 1.00 0.00 C ATOM 726 CD GLU A 65 -7.308 -1.646 5.246 1.00 0.00 C ATOM 727 OE1 GLU A 65 -6.149 -2.004 5.546 1.00 0.00 O ATOM 728 OE2 GLU A 65 -8.283 -2.425 5.234 1.00 0.00 O ATOM 0 H GLU A 65 -5.782 0.082 8.064 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.616 1.452 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.883 0.205 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.195 1.573 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.508 -0.100 4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.783 0.123 4.159 1.00 0.00 H new ATOM 735 N CYS A 66 -5.480 3.633 6.620 1.00 0.00 N ATOM 736 CA CYS A 66 -5.426 4.966 7.236 1.00 0.00 C ATOM 737 C CYS A 66 -6.548 5.907 6.766 1.00 0.00 C ATOM 738 O CYS A 66 -7.123 5.726 5.688 1.00 0.00 O ATOM 739 CB CYS A 66 -4.068 5.602 6.944 1.00 0.00 C ATOM 740 SG CYS A 66 -3.714 5.808 5.173 1.00 0.00 S ATOM 0 H CYS A 66 -4.918 3.543 5.774 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.569 4.824 8.307 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.023 6.577 7.429 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.287 4.987 7.391 1.00 0.00 H new ATOM 745 N ASP A 67 -6.829 6.911 7.613 1.00 0.00 N ATOM 746 CA ASP A 67 -7.846 7.934 7.346 1.00 0.00 C ATOM 747 C ASP A 67 -7.177 9.309 7.127 1.00 0.00 C ATOM 748 O ASP A 67 -5.957 9.440 7.289 1.00 0.00 O ATOM 749 CB ASP A 67 -8.890 7.979 8.497 1.00 0.00 C ATOM 750 CG ASP A 67 -8.284 8.122 9.893 1.00 0.00 C ATOM 751 OD1 ASP A 67 -8.091 9.272 10.341 1.00 0.00 O ATOM 752 OD2 ASP A 67 -8.003 7.084 10.528 1.00 0.00 O ATOM 0 H ASP A 67 -6.353 7.034 8.507 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.379 7.674 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.570 8.813 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.488 7.068 8.465 1.00 0.00 H new ATOM 757 N ASP A 68 -7.980 10.329 6.760 1.00 0.00 N ATOM 758 CA ASP A 68 -7.478 11.699 6.506 1.00 0.00 C ATOM 759 C ASP A 68 -7.086 12.452 7.802 1.00 0.00 C ATOM 760 O ASP A 68 -6.494 13.537 7.738 1.00 0.00 O ATOM 761 CB ASP A 68 -8.531 12.508 5.734 1.00 0.00 C ATOM 762 CG ASP A 68 -8.610 12.118 4.268 1.00 0.00 C ATOM 763 OD1 ASP A 68 -9.398 11.207 3.939 1.00 0.00 O ATOM 764 OD2 ASP A 68 -7.882 12.723 3.453 1.00 0.00 O ATOM 0 H ASP A 68 -8.987 10.230 6.632 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.570 11.596 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.507 12.363 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.296 13.570 5.811 1.00 0.00 H new ATOM 769 N ALA A 69 -7.407 11.856 8.963 1.00 0.00 N ATOM 770 CA ALA A 69 -7.099 12.448 10.273 1.00 0.00 C ATOM 771 C ALA A 69 -5.864 11.792 10.934 1.00 0.00 C ATOM 772 O ALA A 69 -5.603 12.000 12.129 1.00 0.00 O ATOM 773 CB ALA A 69 -8.324 12.342 11.177 1.00 0.00 C ATOM 0 H ALA A 69 -7.884 10.956 9.019 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.849 13.498 10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.098 12.780 12.149 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.158 12.877 10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.592 11.293 11.305 1.00 0.00 H new ATOM 779 N ASN A 70 -5.094 11.024 10.138 1.00 0.00 N ATOM 780 CA ASN A 70 -3.898 10.324 10.614 1.00 0.00 C ATOM 781 C ASN A 70 -2.649 11.207 10.517 1.00 0.00 C ATOM 782 O ASN A 70 -2.507 12.008 9.585 1.00 0.00 O ATOM 783 CB ASN A 70 -3.695 9.035 9.806 1.00 0.00 C ATOM 784 CG ASN A 70 -3.134 7.897 10.641 1.00 0.00 C ATOM 785 OD1 ASN A 70 -1.919 7.742 10.766 1.00 0.00 O ATOM 786 ND2 ASN A 70 -4.021 7.093 11.217 1.00 0.00 N ATOM 0 H ASN A 70 -5.289 10.875 9.148 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.048 10.078 11.665 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.648 8.728 9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.020 9.236 8.974 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.704 6.311 11.789 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.019 7.258 11.087 1.00 0.00 H new ATOM 793 N LYS A 71 -1.759 11.034 11.498 1.00 0.00 N ATOM 794 CA LYS A 71 -0.498 11.785 11.585 1.00 0.00 C ATOM 795 C LYS A 71 0.692 10.953 11.041 1.00 0.00 C ATOM 796 O LYS A 71 0.603 9.719 11.021 1.00 0.00 O ATOM 797 CB LYS A 71 -0.234 12.184 13.040 1.00 0.00 C ATOM 798 CG LYS A 71 -0.175 13.688 13.262 1.00 0.00 C ATOM 799 CD LYS A 71 0.181 14.020 14.702 1.00 0.00 C ATOM 800 CE LYS A 71 0.282 15.520 14.921 1.00 0.00 C ATOM 801 NZ LYS A 71 0.653 15.852 16.323 1.00 0.00 N ATOM 0 H LYS A 71 -1.891 10.367 12.258 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.591 12.680 10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.017 11.763 13.670 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.708 11.741 13.364 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.563 14.128 12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.138 14.133 13.011 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.574 13.604 15.369 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.129 13.549 14.961 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.024 15.937 14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.672 15.988 14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.712 16.885 16.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.068 15.476 16.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.575 15.427 16.548 1.00 0.00 H new ATOM 815 N PRO A 72 1.837 11.597 10.594 1.00 0.00 N ATOM 816 CA PRO A 72 3.017 10.862 10.062 1.00 0.00 C ATOM 817 C PRO A 72 3.821 10.125 11.147 1.00 0.00 C ATOM 818 O PRO A 72 4.150 10.698 12.193 1.00 0.00 O ATOM 819 CB PRO A 72 3.883 11.961 9.414 1.00 0.00 C ATOM 820 CG PRO A 72 3.023 13.183 9.373 1.00 0.00 C ATOM 821 CD PRO A 72 2.083 13.060 10.535 1.00 0.00 C ATOM 0 HA PRO A 72 2.703 10.080 9.371 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.788 12.139 9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.199 11.671 8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.625 14.088 9.451 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.476 13.245 8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.527 13.435 11.457 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.162 13.620 10.373 1.00 0.00 H new ATOM 829 N VAL A 73 4.115 8.849 10.874 1.00 0.00 N ATOM 830 CA VAL A 73 4.879 7.989 11.790 1.00 0.00 C ATOM 831 C VAL A 73 6.278 7.576 11.216 1.00 0.00 C ATOM 832 O VAL A 73 7.148 7.240 12.026 1.00 0.00 O ATOM 833 CB VAL A 73 4.067 6.706 12.200 1.00 0.00 C ATOM 834 CG1 VAL A 73 4.694 5.996 13.403 1.00 0.00 C ATOM 835 CG2 VAL A 73 2.609 7.043 12.525 1.00 0.00 C ATOM 0 H VAL A 73 3.831 8.382 10.013 1.00 0.00 H new ATOM 0 HA VAL A 73 5.054 8.593 12.680 1.00 0.00 H new ATOM 0 HB VAL A 73 4.098 6.038 11.339 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.103 5.115 13.654 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.711 5.692 13.157 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.714 6.674 14.256 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.079 6.133 12.804 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.575 7.751 13.353 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.134 7.486 11.649 1.00 0.00 H new