USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 17 THR OG1 : rot 162:sc= 0.49 USER MOD Set 1.2: A 33 ASN : amide:sc= -3.25! C(o=-4!,f=-9.7!) USER MOD Set 1.3: A 36 ASN : amide:sc= -1.22 X(o=-4,f=-3.8) USER MOD Set 2.1: A 11 TYR OH : rot 0:sc= -1.95! USER MOD Set 2.2: A 34 LYS NZ :NH3+ -158:sc= 0.212 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -22:sc= 0.416 USER MOD Single : A 28 ASN : amide:sc= -2.55! C(o=-2.6!,f=-2.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -8:sc= 1.32 USER MOD Single : A 31 TYR OH : rot 30:sc= -1.86! USER MOD Single : A 39 ASN : amide:sc= -2.25 K(o=-2.3,f=-7.8!) USER MOD Single : A 44 SER OG : rot -88:sc= 0.479 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 51 SER OG : rot 180:sc=-0.00584 USER MOD Single : A 52 HIS : no HE2:sc= -10.3! C(o=-10!,f=-14!) USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00248) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 7.289 19.568 -1.981 1.00 0.00 N ATOM 2 CA LEU A 1 7.232 18.157 -2.456 1.00 0.00 C ATOM 3 C LEU A 1 7.287 17.213 -1.253 1.00 0.00 C ATOM 4 O LEU A 1 8.179 16.397 -1.132 1.00 0.00 O ATOM 5 CB LEU A 1 8.421 17.876 -3.380 1.00 0.00 C ATOM 6 CG LEU A 1 7.940 17.110 -4.615 1.00 0.00 C ATOM 7 CD1 LEU A 1 8.290 17.897 -5.879 1.00 0.00 C ATOM 8 CD2 LEU A 1 8.624 15.742 -4.664 1.00 0.00 C ATOM 0 H1 LEU A 1 7.252 20.211 -2.798 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.480 19.756 -1.355 1.00 0.00 H new ATOM 0 H3 LEU A 1 8.175 19.723 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 1 6.303 17.997 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.891 18.813 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.177 17.296 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 1 6.859 16.978 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.946 17.349 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.804 18.872 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.370 18.032 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.282 15.196 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.704 15.877 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.373 15.178 -3.766 1.00 0.00 H new ATOM 22 N ALA A 2 6.340 17.317 -0.360 1.00 0.00 N ATOM 23 CA ALA A 2 6.341 16.424 0.832 1.00 0.00 C ATOM 24 C ALA A 2 5.265 15.351 0.662 1.00 0.00 C ATOM 25 O ALA A 2 4.368 15.221 1.471 1.00 0.00 O ATOM 26 CB ALA A 2 6.048 17.249 2.088 1.00 0.00 C ATOM 0 H ALA A 2 5.567 17.981 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 2 7.317 15.948 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.049 16.596 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.814 18.015 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.072 17.725 1.991 1.00 0.00 H new ATOM 32 N ALA A 3 5.347 14.577 -0.387 1.00 0.00 N ATOM 33 CA ALA A 3 4.330 13.510 -0.608 1.00 0.00 C ATOM 34 C ALA A 3 4.857 12.184 -0.060 1.00 0.00 C ATOM 35 O ALA A 3 6.027 12.044 0.235 1.00 0.00 O ATOM 36 CB ALA A 3 4.055 13.368 -2.106 1.00 0.00 C ATOM 0 H ALA A 3 6.074 14.638 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 3 3.407 13.776 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.311 12.588 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.680 14.313 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.978 13.102 -2.622 1.00 0.00 H new ATOM 42 N VAL A 4 4.002 11.209 0.079 1.00 0.00 N ATOM 43 CA VAL A 4 4.456 9.893 0.608 1.00 0.00 C ATOM 44 C VAL A 4 3.727 8.768 -0.128 1.00 0.00 C ATOM 45 O VAL A 4 2.543 8.561 0.047 1.00 0.00 O ATOM 46 CB VAL A 4 4.145 9.811 2.102 1.00 0.00 C ATOM 47 CG1 VAL A 4 5.139 10.675 2.881 1.00 0.00 C ATOM 48 CG2 VAL A 4 2.724 10.321 2.354 1.00 0.00 C ATOM 0 H VAL A 4 3.010 11.267 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 4 5.530 9.790 0.454 1.00 0.00 H new ATOM 0 HB VAL A 4 4.227 8.776 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.916 10.616 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.152 10.315 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.058 11.711 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.500 10.263 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.645 11.356 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.014 9.707 1.800 1.00 0.00 H new ATOM 58 N SER A 5 4.429 8.040 -0.951 1.00 0.00 N ATOM 59 CA SER A 5 3.782 6.927 -1.699 1.00 0.00 C ATOM 60 C SER A 5 4.545 5.629 -1.429 1.00 0.00 C ATOM 61 O SER A 5 5.558 5.622 -0.758 1.00 0.00 O ATOM 62 CB SER A 5 3.809 7.234 -3.196 1.00 0.00 C ATOM 63 OG SER A 5 5.116 6.992 -3.699 1.00 0.00 O ATOM 0 H SER A 5 5.424 8.168 -1.138 1.00 0.00 H new ATOM 0 HA SER A 5 2.748 6.818 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.084 6.612 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.525 8.272 -3.372 1.00 0.00 H new ATOM 0 HG SER A 5 5.138 7.186 -4.659 1.00 0.00 H new ATOM 69 N VAL A 6 4.069 4.530 -1.948 1.00 0.00 N ATOM 70 CA VAL A 6 4.773 3.237 -1.717 1.00 0.00 C ATOM 71 C VAL A 6 5.088 2.575 -3.052 1.00 0.00 C ATOM 72 O VAL A 6 5.469 1.423 -3.119 1.00 0.00 O ATOM 73 CB VAL A 6 3.881 2.317 -0.893 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.690 1.109 -0.417 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.339 3.078 0.317 1.00 0.00 C ATOM 0 H VAL A 6 3.226 4.472 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 6 5.703 3.424 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 6 3.049 1.975 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.050 0.452 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.073 0.564 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.524 1.449 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.701 2.419 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.170 3.423 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.759 3.936 -0.023 1.00 0.00 H new ATOM 85 N ASP A 7 4.937 3.304 -4.107 1.00 0.00 N ATOM 86 CA ASP A 7 5.226 2.752 -5.461 1.00 0.00 C ATOM 87 C ASP A 7 4.365 1.511 -5.714 1.00 0.00 C ATOM 88 O ASP A 7 4.436 0.536 -4.993 1.00 0.00 O ATOM 89 CB ASP A 7 6.704 2.372 -5.551 1.00 0.00 C ATOM 90 CG ASP A 7 6.989 1.760 -6.924 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.085 1.747 -7.743 1.00 0.00 O ATOM 92 OD2 ASP A 7 8.104 1.314 -7.132 1.00 0.00 O ATOM 0 H ASP A 7 4.621 4.274 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 7 4.995 3.508 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.327 3.253 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.957 1.661 -4.764 1.00 0.00 H new ATOM 97 N CYS A 8 3.554 1.538 -6.736 1.00 0.00 N ATOM 98 CA CYS A 8 2.694 0.358 -7.036 1.00 0.00 C ATOM 99 C CYS A 8 2.452 0.275 -8.546 1.00 0.00 C ATOM 100 O CYS A 8 1.330 0.174 -8.998 1.00 0.00 O ATOM 101 CB CYS A 8 1.356 0.507 -6.310 1.00 0.00 C ATOM 102 SG CYS A 8 1.654 0.998 -4.593 1.00 0.00 S ATOM 0 H CYS A 8 3.450 2.325 -7.376 1.00 0.00 H new ATOM 0 HA CYS A 8 3.191 -0.552 -6.698 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.739 1.253 -6.811 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.807 -0.434 -6.341 1.00 0.00 H new ATOM 107 N SER A 9 3.498 0.319 -9.326 1.00 0.00 N ATOM 108 CA SER A 9 3.328 0.247 -10.806 1.00 0.00 C ATOM 109 C SER A 9 3.382 -1.213 -11.263 1.00 0.00 C ATOM 110 O SER A 9 3.571 -1.501 -12.428 1.00 0.00 O ATOM 111 CB SER A 9 4.450 1.034 -11.483 1.00 0.00 C ATOM 112 OG SER A 9 3.907 1.802 -12.549 1.00 0.00 O ATOM 0 H SER A 9 4.462 0.402 -9.003 1.00 0.00 H new ATOM 0 HA SER A 9 2.363 0.674 -11.080 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.939 1.688 -10.761 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.211 0.352 -11.862 1.00 0.00 H new ATOM 0 HG SER A 9 4.623 2.309 -12.985 1.00 0.00 H new ATOM 118 N GLU A 10 3.218 -2.135 -10.357 1.00 0.00 N ATOM 119 CA GLU A 10 3.262 -3.575 -10.739 1.00 0.00 C ATOM 120 C GLU A 10 1.989 -4.274 -10.257 1.00 0.00 C ATOM 121 O GLU A 10 1.762 -5.435 -10.532 1.00 0.00 O ATOM 122 CB GLU A 10 4.483 -4.231 -10.092 1.00 0.00 C ATOM 123 CG GLU A 10 4.419 -4.045 -8.574 1.00 0.00 C ATOM 124 CD GLU A 10 5.241 -2.819 -8.174 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.452 -2.945 -8.087 1.00 0.00 O ATOM 126 OE2 GLU A 10 4.647 -1.775 -7.962 1.00 0.00 O ATOM 0 H GLU A 10 3.055 -1.954 -9.366 1.00 0.00 H new ATOM 0 HA GLU A 10 3.331 -3.663 -11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.512 -5.292 -10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.398 -3.788 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.384 -3.921 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.803 -4.933 -8.072 1.00 0.00 H new ATOM 133 N TYR A 11 1.160 -3.577 -9.531 1.00 0.00 N ATOM 134 CA TYR A 11 -0.085 -4.181 -9.019 1.00 0.00 C ATOM 135 C TYR A 11 -1.173 -4.125 -10.104 1.00 0.00 C ATOM 136 O TYR A 11 -1.097 -3.327 -11.017 1.00 0.00 O ATOM 137 CB TYR A 11 -0.503 -3.406 -7.771 1.00 0.00 C ATOM 138 CG TYR A 11 0.598 -3.550 -6.746 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.705 -2.691 -6.788 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.527 -4.552 -5.770 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.735 -2.832 -5.851 1.00 0.00 C ATOM 142 CE2 TYR A 11 1.562 -4.694 -4.837 1.00 0.00 C ATOM 143 CZ TYR A 11 2.664 -3.834 -4.878 1.00 0.00 C ATOM 144 OH TYR A 11 3.684 -3.977 -3.959 1.00 0.00 O ATOM 0 H TYR A 11 1.301 -2.601 -9.271 1.00 0.00 H new ATOM 0 HA TYR A 11 0.066 -5.229 -8.760 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.666 -2.355 -8.011 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.443 -3.793 -7.378 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.763 -1.921 -7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.325 -5.215 -5.737 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.585 -2.167 -5.879 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.509 -5.468 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 11 4.374 -3.303 -4.129 1.00 0.00 H new ATOM 154 N PRO A 12 -2.131 -5.006 -9.982 1.00 0.00 N ATOM 155 CA PRO A 12 -2.194 -5.961 -8.863 1.00 0.00 C ATOM 156 C PRO A 12 -1.156 -7.081 -9.016 1.00 0.00 C ATOM 157 O PRO A 12 -0.587 -7.283 -10.070 1.00 0.00 O ATOM 158 CB PRO A 12 -3.616 -6.522 -8.943 1.00 0.00 C ATOM 159 CG PRO A 12 -4.084 -6.304 -10.404 1.00 0.00 C ATOM 160 CD PRO A 12 -3.226 -5.154 -10.964 1.00 0.00 C ATOM 0 HA PRO A 12 -1.974 -5.491 -7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.632 -7.580 -8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.276 -6.011 -8.242 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.952 -7.211 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.144 -6.052 -10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.842 -5.391 -11.956 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.804 -4.235 -11.057 1.00 0.00 H new ATOM 168 N LYS A 13 -0.905 -7.796 -7.951 1.00 0.00 N ATOM 169 CA LYS A 13 0.098 -8.897 -7.989 1.00 0.00 C ATOM 170 C LYS A 13 -0.592 -10.227 -7.660 1.00 0.00 C ATOM 171 O LYS A 13 -1.529 -10.258 -6.887 1.00 0.00 O ATOM 172 CB LYS A 13 1.170 -8.613 -6.937 1.00 0.00 C ATOM 173 CG LYS A 13 2.535 -8.466 -7.612 1.00 0.00 C ATOM 174 CD LYS A 13 3.641 -8.676 -6.575 1.00 0.00 C ATOM 175 CE LYS A 13 4.822 -9.397 -7.229 1.00 0.00 C ATOM 176 NZ LYS A 13 5.624 -8.421 -8.020 1.00 0.00 N ATOM 0 H LYS A 13 -1.358 -7.661 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 13 0.548 -8.959 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.924 -7.702 -6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.200 -9.423 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.634 -9.193 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.626 -7.477 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.965 -7.716 -6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.262 -9.261 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.446 -9.862 -6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.461 -10.196 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.427 -8.911 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.026 -7.997 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.980 -7.673 -7.391 1.00 0.00 H new ATOM 190 N PRO A 14 -0.105 -11.290 -8.255 1.00 0.00 N ATOM 191 CA PRO A 14 -0.657 -12.644 -8.039 1.00 0.00 C ATOM 192 C PRO A 14 -0.167 -13.227 -6.711 1.00 0.00 C ATOM 193 O PRO A 14 -0.302 -14.406 -6.449 1.00 0.00 O ATOM 194 CB PRO A 14 -0.117 -13.444 -9.224 1.00 0.00 C ATOM 195 CG PRO A 14 1.137 -12.689 -9.726 1.00 0.00 C ATOM 196 CD PRO A 14 1.022 -11.243 -9.213 1.00 0.00 C ATOM 0 HA PRO A 14 -1.745 -12.656 -7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.136 -14.461 -8.923 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.865 -13.522 -10.013 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.047 -13.160 -9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.190 -12.710 -10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.943 -10.917 -8.730 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.825 -10.545 -10.027 1.00 0.00 H new ATOM 204 N ALA A 15 0.397 -12.406 -5.874 1.00 0.00 N ATOM 205 CA ALA A 15 0.895 -12.896 -4.559 1.00 0.00 C ATOM 206 C ALA A 15 1.456 -11.716 -3.762 1.00 0.00 C ATOM 207 O ALA A 15 2.339 -11.014 -4.215 1.00 0.00 O ATOM 208 CB ALA A 15 2.001 -13.927 -4.784 1.00 0.00 C ATOM 0 H ALA A 15 0.536 -11.410 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 15 0.076 -13.357 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.365 -14.286 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.606 -14.765 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.822 -13.466 -5.334 1.00 0.00 H new ATOM 214 N CYS A 16 0.958 -11.492 -2.576 1.00 0.00 N ATOM 215 CA CYS A 16 1.478 -10.359 -1.761 1.00 0.00 C ATOM 216 C CYS A 16 2.777 -10.787 -1.081 1.00 0.00 C ATOM 217 O CYS A 16 2.924 -11.917 -0.662 1.00 0.00 O ATOM 218 CB CYS A 16 0.451 -9.964 -0.691 1.00 0.00 C ATOM 219 SG CYS A 16 0.057 -8.214 -0.864 1.00 0.00 S ATOM 0 H CYS A 16 0.218 -12.041 -2.139 1.00 0.00 H new ATOM 0 HA CYS A 16 1.661 -9.503 -2.411 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.452 -10.565 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.850 -10.162 0.304 1.00 0.00 H new ATOM 224 N THR A 17 3.720 -9.893 -0.967 1.00 0.00 N ATOM 225 CA THR A 17 5.004 -10.254 -0.309 1.00 0.00 C ATOM 226 C THR A 17 4.710 -10.798 1.089 1.00 0.00 C ATOM 227 O THR A 17 3.583 -11.112 1.417 1.00 0.00 O ATOM 228 CB THR A 17 5.887 -9.009 -0.200 1.00 0.00 C ATOM 229 OG1 THR A 17 5.072 -7.848 -0.267 1.00 0.00 O ATOM 230 CG2 THR A 17 6.897 -8.996 -1.347 1.00 0.00 C ATOM 0 H THR A 17 3.656 -8.931 -1.300 1.00 0.00 H new ATOM 0 HA THR A 17 5.522 -11.012 -0.897 1.00 0.00 H new ATOM 0 HB THR A 17 6.422 -9.023 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.565 -7.081 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.525 -8.109 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.521 -9.888 -1.293 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.366 -8.982 -2.299 1.00 0.00 H new ATOM 238 N LEU A 18 5.707 -10.912 1.920 1.00 0.00 N ATOM 239 CA LEU A 18 5.460 -11.435 3.289 1.00 0.00 C ATOM 240 C LEU A 18 5.884 -10.393 4.323 1.00 0.00 C ATOM 241 O LEU A 18 5.330 -10.320 5.402 1.00 0.00 O ATOM 242 CB LEU A 18 6.251 -12.728 3.493 1.00 0.00 C ATOM 243 CG LEU A 18 5.822 -13.750 2.441 1.00 0.00 C ATOM 244 CD1 LEU A 18 6.838 -13.764 1.299 1.00 0.00 C ATOM 245 CD2 LEU A 18 5.753 -15.139 3.080 1.00 0.00 C ATOM 0 H LEU A 18 6.675 -10.667 1.712 1.00 0.00 H new ATOM 0 HA LEU A 18 4.397 -11.643 3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.320 -12.531 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.075 -13.122 4.494 1.00 0.00 H new ATOM 0 HG LEU A 18 4.841 -13.480 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.532 -14.493 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.888 -12.775 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.819 -14.034 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.447 -15.869 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.734 -15.409 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.029 -15.129 3.894 1.00 0.00 H new ATOM 257 N GLU A 19 6.850 -9.574 4.005 1.00 0.00 N ATOM 258 CA GLU A 19 7.278 -8.535 4.981 1.00 0.00 C ATOM 259 C GLU A 19 6.029 -7.854 5.541 1.00 0.00 C ATOM 260 O GLU A 19 4.977 -7.882 4.932 1.00 0.00 O ATOM 261 CB GLU A 19 8.158 -7.500 4.279 1.00 0.00 C ATOM 262 CG GLU A 19 7.394 -6.889 3.102 1.00 0.00 C ATOM 263 CD GLU A 19 7.863 -7.535 1.798 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.581 -8.518 1.871 1.00 0.00 O ATOM 265 OE2 GLU A 19 7.495 -7.035 0.747 1.00 0.00 O ATOM 0 H GLU A 19 7.356 -9.580 3.120 1.00 0.00 H new ATOM 0 HA GLU A 19 7.849 -8.993 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.449 -6.719 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.076 -7.969 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.323 -7.042 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.560 -5.812 3.067 1.00 0.00 H new ATOM 272 N TYR A 20 6.120 -7.251 6.695 1.00 0.00 N ATOM 273 CA TYR A 20 4.912 -6.591 7.265 1.00 0.00 C ATOM 274 C TYR A 20 5.049 -5.070 7.173 1.00 0.00 C ATOM 275 O TYR A 20 5.927 -4.472 7.763 1.00 0.00 O ATOM 276 CB TYR A 20 4.731 -7.006 8.727 1.00 0.00 C ATOM 277 CG TYR A 20 3.384 -6.530 9.225 1.00 0.00 C ATOM 278 CD1 TYR A 20 2.254 -6.618 8.397 1.00 0.00 C ATOM 279 CD2 TYR A 20 3.264 -5.998 10.514 1.00 0.00 C ATOM 280 CE1 TYR A 20 1.010 -6.174 8.860 1.00 0.00 C ATOM 281 CE2 TYR A 20 2.018 -5.554 10.976 1.00 0.00 C ATOM 282 CZ TYR A 20 0.892 -5.641 10.148 1.00 0.00 C ATOM 283 OH TYR A 20 -0.336 -5.204 10.604 1.00 0.00 O ATOM 0 H TYR A 20 6.966 -7.187 7.261 1.00 0.00 H new ATOM 0 HA TYR A 20 4.039 -6.904 6.693 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.802 -8.090 8.820 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.527 -6.581 9.338 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.344 -7.029 7.402 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.132 -5.930 11.153 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.141 -6.243 8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.926 -5.144 11.971 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.243 -4.864 11.518 1.00 0.00 H new ATOM 293 N ARG A 21 4.171 -4.447 6.437 1.00 0.00 N ATOM 294 CA ARG A 21 4.217 -2.964 6.292 1.00 0.00 C ATOM 295 C ARG A 21 2.783 -2.428 6.276 1.00 0.00 C ATOM 296 O ARG A 21 2.211 -2.216 5.226 1.00 0.00 O ATOM 297 CB ARG A 21 4.913 -2.599 4.981 1.00 0.00 C ATOM 298 CG ARG A 21 6.412 -2.868 5.109 1.00 0.00 C ATOM 299 CD ARG A 21 7.128 -2.365 3.857 1.00 0.00 C ATOM 300 NE ARG A 21 8.215 -1.427 4.253 1.00 0.00 N ATOM 301 CZ ARG A 21 9.419 -1.588 3.780 1.00 0.00 C ATOM 302 NH1 ARG A 21 10.267 -2.362 4.401 1.00 0.00 N ATOM 303 NH2 ARG A 21 9.777 -0.976 2.682 1.00 0.00 N ATOM 0 H ARG A 21 3.417 -4.905 5.925 1.00 0.00 H new ATOM 0 HA ARG A 21 4.769 -2.526 7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.496 -3.183 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.740 -1.549 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.808 -2.368 5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.591 -3.935 5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.542 -3.205 3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.421 -1.862 3.197 1.00 0.00 H new ATOM 0 HE ARG A 21 8.017 -0.659 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.988 -2.841 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.209 -2.488 4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.114 -0.372 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.719 -1.102 2.312 1.00 0.00 H new ATOM 317 N PRO A 22 2.242 -2.230 7.445 1.00 0.00 N ATOM 318 CA PRO A 22 0.863 -1.743 7.595 1.00 0.00 C ATOM 319 C PRO A 22 0.742 -0.304 7.128 1.00 0.00 C ATOM 320 O PRO A 22 1.051 0.608 7.857 1.00 0.00 O ATOM 321 CB PRO A 22 0.592 -1.865 9.101 1.00 0.00 C ATOM 322 CG PRO A 22 1.977 -1.915 9.785 1.00 0.00 C ATOM 323 CD PRO A 22 2.961 -2.434 8.720 1.00 0.00 C ATOM 0 HA PRO A 22 0.148 -2.307 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.010 -1.017 9.462 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.016 -2.764 9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.272 -0.928 10.140 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.959 -2.574 10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.901 -1.883 8.742 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.204 -3.485 8.878 1.00 0.00 H new ATOM 331 N LEU A 23 0.294 -0.074 5.921 1.00 0.00 N ATOM 332 CA LEU A 23 0.172 1.328 5.471 1.00 0.00 C ATOM 333 C LEU A 23 -1.273 1.768 5.636 1.00 0.00 C ATOM 334 O LEU A 23 -2.158 1.294 4.952 1.00 0.00 O ATOM 335 CB LEU A 23 0.575 1.429 4.005 1.00 0.00 C ATOM 336 CG LEU A 23 1.734 0.477 3.737 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.738 0.106 2.266 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.050 1.162 4.099 1.00 0.00 C ATOM 0 H LEU A 23 0.015 -0.785 5.246 1.00 0.00 H new ATOM 0 HA LEU A 23 0.825 1.969 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.271 1.180 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.866 2.452 3.765 1.00 0.00 H new ATOM 0 HG LEU A 23 1.621 -0.423 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.565 -0.575 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.796 -0.380 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.856 1.007 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.879 0.481 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.171 2.061 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.040 1.434 5.154 1.00 0.00 H new ATOM 350 N CYS A 24 -1.522 2.678 6.529 1.00 0.00 N ATOM 351 CA CYS A 24 -2.916 3.144 6.711 1.00 0.00 C ATOM 352 C CYS A 24 -3.206 4.104 5.577 1.00 0.00 C ATOM 353 O CYS A 24 -2.638 5.171 5.504 1.00 0.00 O ATOM 354 CB CYS A 24 -3.068 3.851 8.059 1.00 0.00 C ATOM 355 SG CYS A 24 -4.242 2.927 9.080 1.00 0.00 S ATOM 0 H CYS A 24 -0.827 3.115 7.135 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.613 2.306 6.701 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.103 3.916 8.561 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.420 4.872 7.911 1.00 0.00 H new ATOM 360 N GLY A 25 -4.048 3.714 4.665 1.00 0.00 N ATOM 361 CA GLY A 25 -4.332 4.594 3.511 1.00 0.00 C ATOM 362 C GLY A 25 -4.762 5.968 4.016 1.00 0.00 C ATOM 363 O GLY A 25 -4.587 6.303 5.167 1.00 0.00 O ATOM 0 H GLY A 25 -4.549 2.825 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.446 4.686 2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.117 4.159 2.893 1.00 0.00 H new ATOM 367 N SER A 26 -5.360 6.752 3.168 1.00 0.00 N ATOM 368 CA SER A 26 -5.834 8.090 3.611 1.00 0.00 C ATOM 369 C SER A 26 -7.250 7.952 4.176 1.00 0.00 C ATOM 370 O SER A 26 -7.796 8.873 4.750 1.00 0.00 O ATOM 371 CB SER A 26 -5.847 9.045 2.419 1.00 0.00 C ATOM 372 OG SER A 26 -6.363 10.303 2.829 1.00 0.00 O ATOM 0 H SER A 26 -5.541 6.526 2.190 1.00 0.00 H new ATOM 0 HA SER A 26 -5.169 8.485 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.838 9.165 2.024 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.458 8.633 1.616 1.00 0.00 H new ATOM 0 HG SER A 26 -6.906 10.187 3.637 1.00 0.00 H new ATOM 378 N ASP A 27 -7.848 6.798 4.020 1.00 0.00 N ATOM 379 CA ASP A 27 -9.226 6.585 4.547 1.00 0.00 C ATOM 380 C ASP A 27 -9.158 5.788 5.855 1.00 0.00 C ATOM 381 O ASP A 27 -10.166 5.398 6.409 1.00 0.00 O ATOM 382 CB ASP A 27 -10.046 5.805 3.517 1.00 0.00 C ATOM 383 CG ASP A 27 -9.261 4.570 3.070 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.342 4.189 3.778 1.00 0.00 O ATOM 385 OD2 ASP A 27 -9.590 4.027 2.029 1.00 0.00 O ATOM 0 H ASP A 27 -7.438 5.992 3.548 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.697 7.550 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.001 5.506 3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.268 6.438 2.658 1.00 0.00 H new ATOM 390 N ASN A 28 -7.971 5.548 6.351 1.00 0.00 N ATOM 391 CA ASN A 28 -7.820 4.781 7.623 1.00 0.00 C ATOM 392 C ASN A 28 -7.934 3.279 7.347 1.00 0.00 C ATOM 393 O ASN A 28 -8.332 2.512 8.202 1.00 0.00 O ATOM 394 CB ASN A 28 -8.904 5.196 8.622 1.00 0.00 C ATOM 395 CG ASN A 28 -9.147 6.703 8.524 1.00 0.00 C ATOM 396 OD1 ASN A 28 -10.273 7.155 8.601 1.00 0.00 O ATOM 397 ND2 ASN A 28 -8.134 7.506 8.356 1.00 0.00 N ATOM 0 H ASN A 28 -7.095 5.853 5.926 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.839 4.999 8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.828 4.655 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.599 4.932 9.635 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.287 8.512 8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.189 7.128 8.291 1.00 0.00 H new ATOM 404 N LYS A 29 -7.573 2.848 6.170 1.00 0.00 N ATOM 405 CA LYS A 29 -7.645 1.393 5.860 1.00 0.00 C ATOM 406 C LYS A 29 -6.246 0.797 5.996 1.00 0.00 C ATOM 407 O LYS A 29 -5.385 1.013 5.168 1.00 0.00 O ATOM 408 CB LYS A 29 -8.158 1.186 4.438 1.00 0.00 C ATOM 409 CG LYS A 29 -9.141 0.013 4.424 1.00 0.00 C ATOM 410 CD LYS A 29 -8.398 -1.274 4.062 1.00 0.00 C ATOM 411 CE LYS A 29 -9.204 -2.484 4.543 1.00 0.00 C ATOM 412 NZ LYS A 29 -10.383 -2.684 3.653 1.00 0.00 N ATOM 0 H LYS A 29 -7.232 3.439 5.412 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.330 0.902 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.648 2.091 4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.325 0.986 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.614 -0.090 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.937 0.201 3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.249 -1.329 2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.409 -1.277 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.577 -3.376 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.533 -2.330 5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.930 -3.506 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.984 -1.836 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.058 -2.850 2.679 1.00 0.00 H new ATOM 426 N THR A 30 -6.010 0.065 7.046 1.00 0.00 N ATOM 427 CA THR A 30 -4.660 -0.527 7.254 1.00 0.00 C ATOM 428 C THR A 30 -4.431 -1.697 6.295 1.00 0.00 C ATOM 429 O THR A 30 -5.148 -2.678 6.306 1.00 0.00 O ATOM 430 CB THR A 30 -4.539 -1.021 8.696 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.521 0.092 9.577 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.246 -1.821 8.853 1.00 0.00 C ATOM 0 H THR A 30 -6.694 -0.150 7.771 1.00 0.00 H new ATOM 0 HA THR A 30 -3.908 0.238 7.058 1.00 0.00 H new ATOM 0 HB THR A 30 -5.390 -1.658 8.936 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.455 0.920 9.057 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.159 -2.174 9.881 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.262 -2.675 8.176 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.393 -1.185 8.614 1.00 0.00 H new ATOM 440 N TYR A 31 -3.412 -1.603 5.485 1.00 0.00 N ATOM 441 CA TYR A 31 -3.097 -2.709 4.538 1.00 0.00 C ATOM 442 C TYR A 31 -1.969 -3.538 5.146 1.00 0.00 C ATOM 443 O TYR A 31 -0.932 -3.009 5.492 1.00 0.00 O ATOM 444 CB TYR A 31 -2.657 -2.118 3.200 1.00 0.00 C ATOM 445 CG TYR A 31 -3.874 -1.643 2.445 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.492 -0.438 2.801 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.386 -2.407 1.389 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.623 0.002 2.103 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.517 -1.967 0.691 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.135 -0.762 1.047 1.00 0.00 C ATOM 451 OH TYR A 31 -7.250 -0.328 0.359 1.00 0.00 O ATOM 0 H TYR A 31 -2.781 -0.803 5.439 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.971 -3.337 4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.969 -1.289 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.121 -2.867 2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.096 0.152 3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.908 -3.336 1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.101 0.931 2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.913 -2.557 -0.122 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.279 0.652 0.367 1.00 0.00 H new ATOM 461 N GLY A 32 -2.183 -4.822 5.303 1.00 0.00 N ATOM 462 CA GLY A 32 -1.151 -5.705 5.923 1.00 0.00 C ATOM 463 C GLY A 32 0.252 -5.223 5.575 1.00 0.00 C ATOM 464 O GLY A 32 1.033 -4.890 6.444 1.00 0.00 O ATOM 0 H GLY A 32 -3.040 -5.299 5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.278 -5.717 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.285 -6.729 5.575 1.00 0.00 H new ATOM 468 N ASN A 33 0.588 -5.176 4.318 1.00 0.00 N ATOM 469 CA ASN A 33 1.951 -4.706 3.959 1.00 0.00 C ATOM 470 C ASN A 33 1.903 -3.794 2.738 1.00 0.00 C ATOM 471 O ASN A 33 0.867 -3.293 2.350 1.00 0.00 O ATOM 472 CB ASN A 33 2.879 -5.896 3.694 1.00 0.00 C ATOM 473 CG ASN A 33 2.290 -6.797 2.618 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.230 -6.524 2.093 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.944 -7.869 2.263 1.00 0.00 N ATOM 0 H ASN A 33 -0.011 -5.438 3.535 1.00 0.00 H new ATOM 0 HA ASN A 33 2.346 -4.137 4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.860 -5.538 3.381 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.025 -6.464 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.565 -8.482 1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.834 -8.094 2.707 1.00 0.00 H new ATOM 482 N LYS A 34 3.039 -3.553 2.169 1.00 0.00 N ATOM 483 CA LYS A 34 3.145 -2.647 1.005 1.00 0.00 C ATOM 484 C LYS A 34 2.395 -3.178 -0.218 1.00 0.00 C ATOM 485 O LYS A 34 1.713 -2.434 -0.883 1.00 0.00 O ATOM 486 CB LYS A 34 4.623 -2.501 0.670 1.00 0.00 C ATOM 487 CG LYS A 34 5.331 -3.855 0.822 1.00 0.00 C ATOM 488 CD LYS A 34 6.190 -4.124 -0.415 1.00 0.00 C ATOM 489 CE LYS A 34 5.286 -4.440 -1.608 1.00 0.00 C ATOM 490 NZ LYS A 34 6.105 -5.011 -2.712 1.00 0.00 N ATOM 0 H LYS A 34 3.925 -3.958 2.471 1.00 0.00 H new ATOM 0 HA LYS A 34 2.692 -1.690 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.739 -2.133 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.083 -1.765 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.954 -3.853 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.596 -4.650 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.810 -3.255 -0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.866 -4.958 -0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.510 -5.147 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.781 -3.535 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.607 -4.882 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.023 -4.524 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.258 -6.026 -2.542 1.00 0.00 H new ATOM 504 N CYS A 35 2.522 -4.431 -0.549 1.00 0.00 N ATOM 505 CA CYS A 35 1.814 -4.933 -1.744 1.00 0.00 C ATOM 506 C CYS A 35 0.304 -4.782 -1.539 1.00 0.00 C ATOM 507 O CYS A 35 -0.403 -4.358 -2.426 1.00 0.00 O ATOM 508 CB CYS A 35 2.182 -6.393 -1.957 1.00 0.00 C ATOM 509 SG CYS A 35 1.814 -7.316 -0.458 1.00 0.00 S ATOM 0 H CYS A 35 3.081 -5.120 -0.046 1.00 0.00 H new ATOM 0 HA CYS A 35 2.104 -4.361 -2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.623 -6.803 -2.798 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.240 -6.482 -2.204 1.00 0.00 H new ATOM 514 N ASN A 36 -0.199 -5.113 -0.376 1.00 0.00 N ATOM 515 CA ASN A 36 -1.664 -4.962 -0.137 1.00 0.00 C ATOM 516 C ASN A 36 -2.062 -3.494 -0.352 1.00 0.00 C ATOM 517 O ASN A 36 -2.956 -3.191 -1.117 1.00 0.00 O ATOM 518 CB ASN A 36 -2.005 -5.376 1.296 1.00 0.00 C ATOM 519 CG ASN A 36 -2.406 -6.851 1.319 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.545 -7.190 1.064 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.510 -7.747 1.621 1.00 0.00 N ATOM 0 H ASN A 36 0.337 -5.478 0.411 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.210 -5.600 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.147 -5.211 1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.819 -4.761 1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.764 -8.735 1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.555 -7.461 1.835 1.00 0.00 H new ATOM 528 N PHE A 37 -1.401 -2.580 0.315 1.00 0.00 N ATOM 529 CA PHE A 37 -1.738 -1.134 0.142 1.00 0.00 C ATOM 530 C PHE A 37 -1.653 -0.775 -1.319 1.00 0.00 C ATOM 531 O PHE A 37 -2.380 0.050 -1.844 1.00 0.00 O ATOM 532 CB PHE A 37 -0.711 -0.269 0.865 1.00 0.00 C ATOM 533 CG PHE A 37 -1.116 1.169 0.725 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.354 1.632 1.170 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.242 2.023 0.068 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.717 2.968 0.952 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.589 3.358 -0.147 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.834 3.834 0.291 1.00 0.00 C ATOM 0 H PHE A 37 -0.644 -2.773 0.971 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.739 -0.964 0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.656 -0.546 1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.281 -0.426 0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.031 0.963 1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.712 1.653 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.676 3.330 1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.099 4.022 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.111 4.864 0.120 1.00 0.00 H new ATOM 548 N CYS A 38 -0.726 -1.378 -1.950 1.00 0.00 N ATOM 549 CA CYS A 38 -0.484 -1.092 -3.389 1.00 0.00 C ATOM 550 C CYS A 38 -1.666 -1.558 -4.221 1.00 0.00 C ATOM 551 O CYS A 38 -2.051 -0.908 -5.162 1.00 0.00 O ATOM 552 CB CYS A 38 0.776 -1.807 -3.863 1.00 0.00 C ATOM 553 SG CYS A 38 2.206 -0.714 -3.671 1.00 0.00 S ATOM 0 H CYS A 38 -0.104 -2.073 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.357 -0.016 -3.510 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.925 -2.721 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.668 -2.101 -4.907 1.00 0.00 H new ATOM 558 N ASN A 39 -2.254 -2.670 -3.890 1.00 0.00 N ATOM 559 CA ASN A 39 -3.416 -3.136 -4.685 1.00 0.00 C ATOM 560 C ASN A 39 -4.445 -2.011 -4.717 1.00 0.00 C ATOM 561 O ASN A 39 -4.936 -1.633 -5.758 1.00 0.00 O ATOM 562 CB ASN A 39 -4.030 -4.375 -4.030 1.00 0.00 C ATOM 563 CG ASN A 39 -3.001 -5.507 -3.996 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.835 -5.295 -4.261 1.00 0.00 O ATOM 565 ND2 ASN A 39 -3.390 -6.710 -3.676 1.00 0.00 N ATOM 0 H ASN A 39 -1.983 -3.270 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.102 -3.396 -5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.357 -4.138 -3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.914 -4.691 -4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.715 -7.474 -3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.370 -6.887 -3.454 1.00 0.00 H new ATOM 572 N ALA A 40 -4.757 -1.470 -3.571 1.00 0.00 N ATOM 573 CA ALA A 40 -5.744 -0.356 -3.497 1.00 0.00 C ATOM 574 C ALA A 40 -5.260 0.824 -4.347 1.00 0.00 C ATOM 575 O ALA A 40 -6.045 1.573 -4.894 1.00 0.00 O ATOM 576 CB ALA A 40 -5.868 0.094 -2.041 1.00 0.00 C ATOM 0 H ALA A 40 -4.366 -1.756 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.709 -0.697 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.588 0.910 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.207 -0.742 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.897 0.436 -1.682 1.00 0.00 H new ATOM 582 N VAL A 41 -3.969 1.004 -4.442 1.00 0.00 N ATOM 583 CA VAL A 41 -3.425 2.147 -5.236 1.00 0.00 C ATOM 584 C VAL A 41 -3.579 1.885 -6.741 1.00 0.00 C ATOM 585 O VAL A 41 -3.837 2.787 -7.512 1.00 0.00 O ATOM 586 CB VAL A 41 -1.938 2.315 -4.913 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.334 3.402 -5.805 1.00 0.00 C ATOM 588 CG2 VAL A 41 -1.776 2.709 -3.441 1.00 0.00 C ATOM 0 H VAL A 41 -3.266 0.409 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.979 3.049 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.421 1.373 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.276 3.518 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.446 3.118 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.850 4.346 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.717 2.829 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.296 3.649 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.199 1.930 -2.807 1.00 0.00 H new ATOM 598 N VAL A 42 -3.391 0.666 -7.168 1.00 0.00 N ATOM 599 CA VAL A 42 -3.490 0.348 -8.611 1.00 0.00 C ATOM 600 C VAL A 42 -4.924 -0.051 -8.980 1.00 0.00 C ATOM 601 O VAL A 42 -5.264 -0.159 -10.142 1.00 0.00 O ATOM 602 CB VAL A 42 -2.531 -0.804 -8.903 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.958 -2.057 -8.135 1.00 0.00 C ATOM 604 CG2 VAL A 42 -2.537 -1.097 -10.393 1.00 0.00 C ATOM 0 H VAL A 42 -3.171 -0.128 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.227 1.223 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.528 -0.521 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.266 -2.870 -8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.949 -1.849 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.964 -2.345 -8.440 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.853 -1.919 -10.605 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.544 -1.373 -10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.218 -0.210 -10.940 1.00 0.00 H new ATOM 614 N GLU A 43 -5.772 -0.262 -8.010 1.00 0.00 N ATOM 615 CA GLU A 43 -7.169 -0.638 -8.309 1.00 0.00 C ATOM 616 C GLU A 43 -8.016 0.631 -8.376 1.00 0.00 C ATOM 617 O GLU A 43 -9.119 0.631 -8.885 1.00 0.00 O ATOM 618 CB GLU A 43 -7.704 -1.540 -7.197 1.00 0.00 C ATOM 619 CG GLU A 43 -7.415 -0.947 -5.840 1.00 0.00 C ATOM 620 CD GLU A 43 -8.732 -0.542 -5.173 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.344 0.403 -5.642 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.106 -1.185 -4.206 1.00 0.00 O ATOM 0 H GLU A 43 -5.548 -0.188 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.213 -1.169 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.779 -1.676 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.248 -2.527 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.887 -1.671 -5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.763 -0.079 -5.941 1.00 0.00 H new ATOM 629 N SER A 44 -7.509 1.709 -7.845 1.00 0.00 N ATOM 630 CA SER A 44 -8.285 2.980 -7.851 1.00 0.00 C ATOM 631 C SER A 44 -7.699 3.947 -8.883 1.00 0.00 C ATOM 632 O SER A 44 -7.849 5.147 -8.772 1.00 0.00 O ATOM 633 CB SER A 44 -8.206 3.613 -6.458 1.00 0.00 C ATOM 634 OG SER A 44 -6.894 4.116 -6.244 1.00 0.00 O ATOM 0 H SER A 44 -6.590 1.764 -7.407 1.00 0.00 H new ATOM 0 HA SER A 44 -9.323 2.772 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.935 4.418 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.453 2.874 -5.696 1.00 0.00 H new ATOM 0 HG SER A 44 -6.329 3.408 -5.869 1.00 0.00 H new ATOM 640 N ASN A 45 -7.028 3.442 -9.882 1.00 0.00 N ATOM 641 CA ASN A 45 -6.432 4.351 -10.900 1.00 0.00 C ATOM 642 C ASN A 45 -5.351 5.196 -10.225 1.00 0.00 C ATOM 643 O ASN A 45 -4.975 6.247 -10.704 1.00 0.00 O ATOM 644 CB ASN A 45 -7.513 5.271 -11.476 1.00 0.00 C ATOM 645 CG ASN A 45 -7.959 4.748 -12.843 1.00 0.00 C ATOM 646 OD1 ASN A 45 -8.222 3.573 -13.001 1.00 0.00 O ATOM 647 ND2 ASN A 45 -8.060 5.579 -13.847 1.00 0.00 N ATOM 0 H ASN A 45 -6.868 2.447 -10.036 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.000 3.764 -11.710 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.365 5.317 -10.798 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.127 6.286 -11.572 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.359 5.240 -14.761 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.840 6.566 -13.716 1.00 0.00 H new ATOM 654 N GLY A 46 -4.858 4.739 -9.106 1.00 0.00 N ATOM 655 CA GLY A 46 -3.808 5.501 -8.372 1.00 0.00 C ATOM 656 C GLY A 46 -4.415 6.780 -7.800 1.00 0.00 C ATOM 657 O GLY A 46 -3.732 7.755 -7.558 1.00 0.00 O ATOM 0 H GLY A 46 -5.140 3.863 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.395 4.891 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.984 5.745 -9.043 1.00 0.00 H new ATOM 661 N THR A 47 -5.699 6.777 -7.572 1.00 0.00 N ATOM 662 CA THR A 47 -6.367 7.971 -7.007 1.00 0.00 C ATOM 663 C THR A 47 -6.377 7.841 -5.481 1.00 0.00 C ATOM 664 O THR A 47 -6.630 8.790 -4.766 1.00 0.00 O ATOM 665 CB THR A 47 -7.799 8.034 -7.552 1.00 0.00 C ATOM 666 OG1 THR A 47 -7.785 8.642 -8.836 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.683 8.849 -6.614 1.00 0.00 C ATOM 0 H THR A 47 -6.317 5.987 -7.757 1.00 0.00 H new ATOM 0 HA THR A 47 -5.842 8.885 -7.286 1.00 0.00 H new ATOM 0 HB THR A 47 -8.199 7.023 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.698 8.683 -9.189 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.697 8.887 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.696 8.382 -5.629 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.288 9.862 -6.530 1.00 0.00 H new ATOM 675 N LEU A 48 -6.101 6.667 -4.979 1.00 0.00 N ATOM 676 CA LEU A 48 -6.087 6.460 -3.522 1.00 0.00 C ATOM 677 C LEU A 48 -4.767 6.978 -2.957 1.00 0.00 C ATOM 678 O LEU A 48 -3.697 6.598 -3.389 1.00 0.00 O ATOM 679 CB LEU A 48 -6.223 4.950 -3.253 1.00 0.00 C ATOM 680 CG LEU A 48 -5.591 4.564 -1.909 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.680 4.414 -0.864 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.849 3.239 -2.058 1.00 0.00 C ATOM 0 H LEU A 48 -5.883 5.839 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.908 6.996 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.277 4.672 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.744 4.391 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.892 5.341 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.232 4.140 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.214 5.358 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.377 3.636 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.400 2.964 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.549 2.463 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.067 3.342 -2.811 1.00 0.00 H new ATOM 694 N THR A 49 -4.841 7.800 -1.957 1.00 0.00 N ATOM 695 CA THR A 49 -3.604 8.302 -1.314 1.00 0.00 C ATOM 696 C THR A 49 -3.608 7.785 0.115 1.00 0.00 C ATOM 697 O THR A 49 -4.652 7.572 0.696 1.00 0.00 O ATOM 698 CB THR A 49 -3.587 9.829 -1.309 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.292 10.302 -0.169 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.256 10.356 -2.579 1.00 0.00 C ATOM 0 H THR A 49 -5.711 8.148 -1.554 1.00 0.00 H new ATOM 0 HA THR A 49 -2.723 7.960 -1.857 1.00 0.00 H new ATOM 0 HB THR A 49 -2.556 10.181 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.282 11.282 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.242 11.446 -2.572 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.716 9.992 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.288 10.007 -2.619 1.00 0.00 H new ATOM 708 N LEU A 50 -2.470 7.553 0.687 1.00 0.00 N ATOM 709 CA LEU A 50 -2.463 7.026 2.065 1.00 0.00 C ATOM 710 C LEU A 50 -2.379 8.190 3.053 1.00 0.00 C ATOM 711 O LEU A 50 -2.395 9.343 2.668 1.00 0.00 O ATOM 712 CB LEU A 50 -1.300 6.019 2.193 1.00 0.00 C ATOM 713 CG LEU A 50 -0.116 6.540 3.020 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.247 5.470 4.037 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.080 6.779 2.094 1.00 0.00 C ATOM 0 H LEU A 50 -1.554 7.704 0.265 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.384 6.492 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.674 5.102 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.947 5.757 1.195 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.378 7.473 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.087 5.812 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.609 5.277 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.524 4.553 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.923 7.149 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.357 5.843 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.812 7.515 1.336 1.00 0.00 H new ATOM 727 N SER A 51 -2.297 7.907 4.322 1.00 0.00 N ATOM 728 CA SER A 51 -2.223 8.999 5.317 1.00 0.00 C ATOM 729 C SER A 51 -0.930 8.858 6.113 1.00 0.00 C ATOM 730 O SER A 51 -0.399 9.824 6.624 1.00 0.00 O ATOM 731 CB SER A 51 -3.410 8.917 6.284 1.00 0.00 C ATOM 732 OG SER A 51 -4.226 10.070 6.130 1.00 0.00 O ATOM 0 H SER A 51 -2.278 6.963 4.709 1.00 0.00 H new ATOM 0 HA SER A 51 -2.249 9.957 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.992 8.017 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.052 8.846 7.311 1.00 0.00 H new ATOM 0 HG SER A 51 -4.986 10.018 6.747 1.00 0.00 H new ATOM 738 N HIS A 52 -0.425 7.660 6.236 1.00 0.00 N ATOM 739 CA HIS A 52 0.823 7.469 7.018 1.00 0.00 C ATOM 740 C HIS A 52 1.192 5.986 7.074 1.00 0.00 C ATOM 741 O HIS A 52 0.347 5.128 7.260 1.00 0.00 O ATOM 742 CB HIS A 52 0.583 7.958 8.444 1.00 0.00 C ATOM 743 CG HIS A 52 -0.429 7.056 9.095 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.203 6.458 10.325 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.672 6.623 8.691 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.279 5.707 10.614 1.00 0.00 C ATOM 747 NE2 HIS A 52 -2.204 5.775 9.655 1.00 0.00 N ATOM 0 H HIS A 52 -0.822 6.812 5.831 1.00 0.00 H new ATOM 0 HA HIS A 52 1.631 8.026 6.543 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.515 7.951 9.009 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.223 8.987 8.436 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.629 6.568 10.905 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.159 6.900 7.767 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.383 5.119 11.514 1.00 0.00 H new ATOM 755 N PHE A 53 2.451 5.677 6.949 1.00 0.00 N ATOM 756 CA PHE A 53 2.873 4.255 7.034 1.00 0.00 C ATOM 757 C PHE A 53 2.566 3.757 8.448 1.00 0.00 C ATOM 758 O PHE A 53 2.367 4.540 9.355 1.00 0.00 O ATOM 759 CB PHE A 53 4.376 4.147 6.768 1.00 0.00 C ATOM 760 CG PHE A 53 4.653 4.351 5.299 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.609 5.639 4.750 1.00 0.00 C ATOM 762 CD2 PHE A 53 4.960 3.254 4.484 1.00 0.00 C ATOM 763 CE1 PHE A 53 4.872 5.829 3.388 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.223 3.444 3.123 1.00 0.00 C ATOM 765 CZ PHE A 53 5.179 4.733 2.574 1.00 0.00 C ATOM 0 H PHE A 53 3.204 6.347 6.792 1.00 0.00 H new ATOM 0 HA PHE A 53 2.342 3.656 6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.913 4.892 7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.741 3.170 7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.372 6.486 5.377 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.994 2.261 4.907 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.838 6.822 2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.460 2.598 2.495 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.382 4.880 1.523 1.00 0.00 H new ATOM 775 N GLY A 54 2.519 2.472 8.652 1.00 0.00 N ATOM 776 CA GLY A 54 2.220 1.953 9.998 1.00 0.00 C ATOM 777 C GLY A 54 0.715 1.754 10.137 1.00 0.00 C ATOM 778 O GLY A 54 -0.059 2.014 9.238 1.00 0.00 O ATOM 0 H GLY A 54 2.676 1.762 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.740 1.009 10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.578 2.649 10.757 1.00 0.00 H new ATOM 782 N LYS A 55 0.306 1.334 11.281 1.00 0.00 N ATOM 783 CA LYS A 55 -1.151 1.133 11.538 1.00 0.00 C ATOM 784 C LYS A 55 -1.763 2.454 12.020 1.00 0.00 C ATOM 785 O LYS A 55 -1.102 3.269 12.634 1.00 0.00 O ATOM 786 CB LYS A 55 -1.378 0.051 12.609 1.00 0.00 C ATOM 787 CG LYS A 55 -0.080 -0.237 13.370 1.00 0.00 C ATOM 788 CD LYS A 55 -0.321 -1.334 14.406 1.00 0.00 C ATOM 789 CE LYS A 55 0.971 -2.122 14.618 1.00 0.00 C ATOM 790 NZ LYS A 55 1.095 -3.166 13.561 1.00 0.00 N ATOM 0 H LYS A 55 0.916 1.115 12.068 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.626 0.809 10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.149 0.378 13.306 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.740 -0.863 12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.700 -0.546 12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.273 0.669 13.862 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.651 -0.895 15.347 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.115 -2.000 14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.829 -1.451 14.584 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.969 -2.586 15.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.990 -3.680 13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.300 -3.832 13.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.081 -2.715 12.624 1.00 0.00 H new ATOM 804 N CYS A 56 -3.022 2.670 11.748 1.00 0.00 N ATOM 805 CA CYS A 56 -3.680 3.935 12.191 1.00 0.00 C ATOM 806 C CYS A 56 -3.568 4.066 13.711 1.00 0.00 C ATOM 807 O CYS A 56 -2.841 4.936 14.159 1.00 0.00 O ATOM 808 CB CYS A 56 -5.155 3.914 11.786 1.00 0.00 C ATOM 809 SG CYS A 56 -5.305 4.353 10.037 1.00 0.00 S ATOM 810 OXT CYS A 56 -4.212 3.292 14.401 1.00 0.00 O ATOM 0 H CYS A 56 -3.625 2.025 11.237 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.187 4.784 11.718 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.577 2.925 11.961 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.722 4.616 12.398 1.00 0.00 H new TER 815 CYS A 56