USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 264 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -57:sc= 0.447 USER MOD Single : A 9 SER OG : rot -139:sc= -0.157 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -75:sc= 0.441 USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.078 (180deg=-0.392) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -10.2! C(o=-10!,f=-5.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.969 -22.187 -6.053 1.00 0.00 N ATOM 2 CA GLY A 1 -9.447 -22.586 -7.363 1.00 0.00 C ATOM 3 C GLY A 1 -8.751 -21.843 -8.486 1.00 0.00 C ATOM 4 O GLY A 1 -7.568 -22.063 -8.745 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.476 -22.724 -5.320 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.950 -22.381 -5.981 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.138 -21.170 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.294 -23.658 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.521 -22.408 -7.424 1.00 0.00 H new ATOM 8 N SER A 2 -9.486 -20.961 -9.155 1.00 0.00 N ATOM 9 CA SER A 2 -8.933 -20.186 -10.260 1.00 0.00 C ATOM 10 C SER A 2 -9.200 -18.696 -10.066 1.00 0.00 C ATOM 11 O SER A 2 -8.300 -17.869 -10.211 1.00 0.00 O ATOM 12 CB SER A 2 -9.531 -20.654 -11.588 1.00 0.00 C ATOM 13 OG SER A 2 -9.001 -21.911 -11.971 1.00 0.00 O ATOM 0 H SER A 2 -10.466 -20.765 -8.951 1.00 0.00 H new ATOM 0 HA SER A 2 -7.855 -20.345 -10.279 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.615 -20.725 -11.497 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.324 -19.917 -12.364 1.00 0.00 H new ATOM 0 HG SER A 2 -9.400 -22.189 -12.822 1.00 0.00 H new ATOM 19 N SER A 3 -10.444 -18.362 -9.737 1.00 0.00 N ATOM 20 CA SER A 3 -10.832 -16.973 -9.526 1.00 0.00 C ATOM 21 C SER A 3 -10.577 -16.550 -8.083 1.00 0.00 C ATOM 22 O SER A 3 -11.399 -15.872 -7.468 1.00 0.00 O ATOM 23 CB SER A 3 -12.309 -16.775 -9.874 1.00 0.00 C ATOM 24 OG SER A 3 -12.475 -16.495 -11.253 1.00 0.00 O ATOM 0 H SER A 3 -11.200 -19.035 -9.611 1.00 0.00 H new ATOM 0 HA SER A 3 -10.225 -16.349 -10.182 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.871 -17.671 -9.612 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.719 -15.957 -9.282 1.00 0.00 H new ATOM 0 HG SER A 3 -13.427 -16.374 -11.450 1.00 0.00 H new ATOM 30 N GLY A 4 -9.429 -16.957 -7.548 1.00 0.00 N ATOM 31 CA GLY A 4 -9.085 -16.612 -6.181 1.00 0.00 C ATOM 32 C GLY A 4 -7.689 -17.064 -5.803 1.00 0.00 C ATOM 33 O GLY A 4 -7.517 -17.883 -4.900 1.00 0.00 O ATOM 0 H GLY A 4 -8.732 -17.519 -8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.161 -15.532 -6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.807 -17.066 -5.502 1.00 0.00 H new ATOM 37 N SER A 5 -6.688 -16.530 -6.496 1.00 0.00 N ATOM 38 CA SER A 5 -5.299 -16.888 -6.231 1.00 0.00 C ATOM 39 C SER A 5 -4.581 -15.766 -5.488 1.00 0.00 C ATOM 40 O SER A 5 -3.437 -15.434 -5.798 1.00 0.00 O ATOM 41 CB SER A 5 -4.571 -17.195 -7.542 1.00 0.00 C ATOM 42 OG SER A 5 -4.509 -16.047 -8.371 1.00 0.00 O ATOM 0 H SER A 5 -6.813 -15.848 -7.245 1.00 0.00 H new ATOM 0 HA SER A 5 -5.292 -17.778 -5.602 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.562 -17.548 -7.328 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.085 -18.000 -8.067 1.00 0.00 H new ATOM 0 HG SER A 5 -4.038 -16.268 -9.201 1.00 0.00 H new ATOM 48 N SER A 6 -5.261 -15.186 -4.504 1.00 0.00 N ATOM 49 CA SER A 6 -4.691 -14.099 -3.718 1.00 0.00 C ATOM 50 C SER A 6 -4.317 -12.920 -4.612 1.00 0.00 C ATOM 51 O SER A 6 -3.247 -12.331 -4.467 1.00 0.00 O ATOM 52 CB SER A 6 -3.458 -14.585 -2.954 1.00 0.00 C ATOM 53 OG SER A 6 -2.983 -13.589 -2.066 1.00 0.00 O ATOM 0 H SER A 6 -6.208 -15.451 -4.232 1.00 0.00 H new ATOM 0 HA SER A 6 -5.444 -13.767 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.705 -15.487 -2.395 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.671 -14.853 -3.659 1.00 0.00 H new ATOM 0 HG SER A 6 -2.790 -12.769 -2.567 1.00 0.00 H new ATOM 59 N GLY A 7 -5.209 -12.581 -5.538 1.00 0.00 N ATOM 60 CA GLY A 7 -4.956 -11.475 -6.443 1.00 0.00 C ATOM 61 C GLY A 7 -5.344 -10.137 -5.845 1.00 0.00 C ATOM 62 O GLY A 7 -4.577 -9.176 -5.908 1.00 0.00 O ATOM 0 H GLY A 7 -6.103 -13.053 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.898 -11.459 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.512 -11.631 -7.367 1.00 0.00 H new ATOM 66 N ARG A 8 -6.538 -10.074 -5.266 1.00 0.00 N ATOM 67 CA ARG A 8 -7.028 -8.842 -4.658 1.00 0.00 C ATOM 68 C ARG A 8 -5.964 -8.220 -3.759 1.00 0.00 C ATOM 69 O ARG A 8 -5.912 -7.001 -3.594 1.00 0.00 O ATOM 70 CB ARG A 8 -8.298 -9.118 -3.850 1.00 0.00 C ATOM 71 CG ARG A 8 -8.120 -10.185 -2.782 1.00 0.00 C ATOM 72 CD ARG A 8 -9.060 -9.959 -1.608 1.00 0.00 C ATOM 73 NE ARG A 8 -8.948 -11.016 -0.607 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.596 -11.003 0.553 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.399 -9.992 0.854 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.443 -12.002 1.412 1.00 0.00 N ATOM 0 H ARG A 8 -7.184 -10.861 -5.205 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.260 -8.138 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.625 -8.193 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.092 -9.426 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.305 -11.168 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.088 -10.181 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.838 -8.997 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.087 -9.910 -1.970 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.338 -11.808 -0.809 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.520 -9.223 0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.896 -9.983 1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.827 -12.782 1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.941 -11.990 2.302 1.00 0.00 H new ATOM 90 N SER A 9 -5.119 -9.065 -3.178 1.00 0.00 N ATOM 91 CA SER A 9 -4.060 -8.599 -2.291 1.00 0.00 C ATOM 92 C SER A 9 -2.855 -8.114 -3.092 1.00 0.00 C ATOM 93 O SER A 9 -2.516 -8.683 -4.130 1.00 0.00 O ATOM 94 CB SER A 9 -3.635 -9.717 -1.337 1.00 0.00 C ATOM 95 OG SER A 9 -4.720 -10.134 -0.526 1.00 0.00 O ATOM 0 H SER A 9 -5.147 -10.077 -3.306 1.00 0.00 H new ATOM 0 HA SER A 9 -4.449 -7.763 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.258 -10.564 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.817 -9.370 -0.706 1.00 0.00 H new ATOM 0 HG SER A 9 -4.405 -10.286 0.389 1.00 0.00 H new ATOM 101 N TYR A 10 -2.213 -7.059 -2.603 1.00 0.00 N ATOM 102 CA TYR A 10 -1.048 -6.495 -3.274 1.00 0.00 C ATOM 103 C TYR A 10 0.214 -6.704 -2.442 1.00 0.00 C ATOM 104 O TYR A 10 0.270 -6.324 -1.272 1.00 0.00 O ATOM 105 CB TYR A 10 -1.258 -5.003 -3.537 1.00 0.00 C ATOM 106 CG TYR A 10 -2.211 -4.716 -4.674 1.00 0.00 C ATOM 107 CD1 TYR A 10 -3.472 -5.300 -4.714 1.00 0.00 C ATOM 108 CD2 TYR A 10 -1.852 -3.863 -5.710 1.00 0.00 C ATOM 109 CE1 TYR A 10 -4.346 -5.042 -5.752 1.00 0.00 C ATOM 110 CE2 TYR A 10 -2.721 -3.598 -6.751 1.00 0.00 C ATOM 111 CZ TYR A 10 -3.966 -4.190 -6.768 1.00 0.00 C ATOM 112 OH TYR A 10 -4.834 -3.930 -7.803 1.00 0.00 O ATOM 0 H TYR A 10 -2.480 -6.577 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.923 -7.011 -4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.637 -4.533 -2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.295 -4.542 -3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.773 -5.967 -3.920 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.877 -3.399 -5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.322 -5.505 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.426 -2.931 -7.547 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.414 -3.310 -8.435 1.00 0.00 H new ATOM 122 N SER A 11 1.225 -7.311 -3.055 1.00 0.00 N ATOM 123 CA SER A 11 2.486 -7.574 -2.371 1.00 0.00 C ATOM 124 C SER A 11 3.414 -6.367 -2.460 1.00 0.00 C ATOM 125 O SER A 11 3.571 -5.766 -3.524 1.00 0.00 O ATOM 126 CB SER A 11 3.170 -8.803 -2.973 1.00 0.00 C ATOM 127 OG SER A 11 3.667 -8.525 -4.271 1.00 0.00 O ATOM 0 H SER A 11 1.196 -7.630 -4.023 1.00 0.00 H new ATOM 0 HA SER A 11 2.268 -7.766 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.988 -9.121 -2.327 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.462 -9.630 -3.021 1.00 0.00 H new ATOM 0 HG SER A 11 4.101 -9.325 -4.633 1.00 0.00 H new ATOM 133 N CYS A 12 4.028 -6.016 -1.335 1.00 0.00 N ATOM 134 CA CYS A 12 4.941 -4.881 -1.283 1.00 0.00 C ATOM 135 C CYS A 12 6.339 -5.285 -1.744 1.00 0.00 C ATOM 136 O CYS A 12 7.020 -6.091 -1.110 1.00 0.00 O ATOM 137 CB CYS A 12 5.005 -4.316 0.137 1.00 0.00 C ATOM 138 SG CYS A 12 5.974 -2.780 0.283 1.00 0.00 S ATOM 0 H CYS A 12 3.909 -6.502 -0.446 1.00 0.00 H new ATOM 0 HA CYS A 12 4.563 -4.112 -1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.990 -4.128 0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.436 -5.069 0.797 1.00 0.00 H new ATOM 143 N PRO A 13 6.777 -4.713 -2.875 1.00 0.00 N ATOM 144 CA PRO A 13 8.097 -4.997 -3.447 1.00 0.00 C ATOM 145 C PRO A 13 9.230 -4.425 -2.602 1.00 0.00 C ATOM 146 O PRO A 13 10.402 -4.528 -2.965 1.00 0.00 O ATOM 147 CB PRO A 13 8.048 -4.308 -4.813 1.00 0.00 C ATOM 148 CG PRO A 13 7.042 -3.221 -4.653 1.00 0.00 C ATOM 149 CD PRO A 13 6.018 -3.743 -3.683 1.00 0.00 C ATOM 0 HA PRO A 13 8.296 -6.067 -3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.023 -3.907 -5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.756 -5.005 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.508 -2.311 -4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.582 -2.971 -5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.604 -2.944 -3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.181 -4.216 -4.197 1.00 0.00 H new ATOM 157 N VAL A 14 8.873 -3.821 -1.472 1.00 0.00 N ATOM 158 CA VAL A 14 9.860 -3.234 -0.575 1.00 0.00 C ATOM 159 C VAL A 14 10.160 -4.162 0.597 1.00 0.00 C ATOM 160 O VAL A 14 11.315 -4.502 0.855 1.00 0.00 O ATOM 161 CB VAL A 14 9.384 -1.874 -0.029 1.00 0.00 C ATOM 162 CG1 VAL A 14 10.419 -1.287 0.919 1.00 0.00 C ATOM 163 CG2 VAL A 14 9.091 -0.915 -1.172 1.00 0.00 C ATOM 0 H VAL A 14 7.908 -3.726 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 14 10.768 -3.086 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 14 8.461 -2.029 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.065 -0.327 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.574 -1.969 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.360 -1.144 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.756 0.041 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.996 -0.763 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.311 -1.334 -1.808 1.00 0.00 H new ATOM 173 N CYS A 15 9.111 -4.571 1.303 1.00 0.00 N ATOM 174 CA CYS A 15 9.260 -5.462 2.448 1.00 0.00 C ATOM 175 C CYS A 15 8.504 -6.768 2.223 1.00 0.00 C ATOM 176 O CYS A 15 7.983 -7.364 3.165 1.00 0.00 O ATOM 177 CB CYS A 15 8.755 -4.779 3.721 1.00 0.00 C ATOM 178 SG CYS A 15 7.046 -4.159 3.603 1.00 0.00 S ATOM 0 H CYS A 15 8.148 -4.300 1.102 1.00 0.00 H new ATOM 0 HA CYS A 15 10.319 -5.692 2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.818 -5.485 4.549 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.417 -3.947 3.961 1.00 0.00 H new ATOM 183 N GLU A 16 8.450 -7.206 0.969 1.00 0.00 N ATOM 184 CA GLU A 16 7.757 -8.441 0.622 1.00 0.00 C ATOM 185 C GLU A 16 6.534 -8.648 1.511 1.00 0.00 C ATOM 186 O GLU A 16 6.214 -9.773 1.895 1.00 0.00 O ATOM 187 CB GLU A 16 8.703 -9.636 0.750 1.00 0.00 C ATOM 188 CG GLU A 16 9.803 -9.658 -0.298 1.00 0.00 C ATOM 189 CD GLU A 16 11.027 -10.429 0.156 1.00 0.00 C ATOM 190 OE1 GLU A 16 10.874 -11.353 0.982 1.00 0.00 O ATOM 191 OE2 GLU A 16 12.138 -10.109 -0.316 1.00 0.00 O ATOM 0 H GLU A 16 8.877 -6.725 0.178 1.00 0.00 H new ATOM 0 HA GLU A 16 7.423 -8.361 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.157 -9.624 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.124 -10.556 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.417 -10.104 -1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.091 -8.635 -0.538 1.00 0.00 H new ATOM 198 N LYS A 17 5.854 -7.553 1.836 1.00 0.00 N ATOM 199 CA LYS A 17 4.666 -7.612 2.679 1.00 0.00 C ATOM 200 C LYS A 17 3.405 -7.353 1.862 1.00 0.00 C ATOM 201 O LYS A 17 3.273 -6.309 1.222 1.00 0.00 O ATOM 202 CB LYS A 17 4.770 -6.591 3.814 1.00 0.00 C ATOM 203 CG LYS A 17 3.956 -6.961 5.042 1.00 0.00 C ATOM 204 CD LYS A 17 4.249 -6.030 6.207 1.00 0.00 C ATOM 205 CE LYS A 17 5.598 -6.336 6.839 1.00 0.00 C ATOM 206 NZ LYS A 17 6.108 -5.188 7.639 1.00 0.00 N ATOM 0 H LYS A 17 6.106 -6.614 1.528 1.00 0.00 H new ATOM 0 HA LYS A 17 4.602 -8.614 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.816 -6.484 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.439 -5.619 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.894 -6.921 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.178 -7.988 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.234 -4.997 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.464 -6.126 6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.509 -7.214 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.317 -6.583 6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.029 -5.436 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.218 -4.357 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.434 -4.968 8.400 1.00 0.00 H new ATOM 220 N SER A 18 2.481 -8.308 1.888 1.00 0.00 N ATOM 221 CA SER A 18 1.231 -8.183 1.148 1.00 0.00 C ATOM 222 C SER A 18 0.085 -7.794 2.077 1.00 0.00 C ATOM 223 O SER A 18 0.015 -8.250 3.219 1.00 0.00 O ATOM 224 CB SER A 18 0.902 -9.496 0.436 1.00 0.00 C ATOM 225 OG SER A 18 0.791 -10.564 1.361 1.00 0.00 O ATOM 0 H SER A 18 2.575 -9.177 2.414 1.00 0.00 H new ATOM 0 HA SER A 18 1.355 -7.396 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.032 -9.390 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.679 -9.722 -0.294 1.00 0.00 H new ATOM 0 HG SER A 18 0.579 -11.392 0.881 1.00 0.00 H new ATOM 231 N PHE A 19 -0.811 -6.949 1.579 1.00 0.00 N ATOM 232 CA PHE A 19 -1.954 -6.497 2.364 1.00 0.00 C ATOM 233 C PHE A 19 -3.266 -6.890 1.691 1.00 0.00 C ATOM 234 O PHE A 19 -3.414 -6.766 0.475 1.00 0.00 O ATOM 235 CB PHE A 19 -1.901 -4.980 2.555 1.00 0.00 C ATOM 236 CG PHE A 19 -0.772 -4.526 3.436 1.00 0.00 C ATOM 237 CD1 PHE A 19 0.538 -4.860 3.133 1.00 0.00 C ATOM 238 CD2 PHE A 19 -1.022 -3.765 4.567 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.578 -4.444 3.943 1.00 0.00 C ATOM 240 CE2 PHE A 19 0.014 -3.346 5.380 1.00 0.00 C ATOM 241 CZ PHE A 19 1.316 -3.685 5.067 1.00 0.00 C ATOM 0 H PHE A 19 -0.768 -6.563 0.636 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.907 -6.981 3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.805 -4.502 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.844 -4.643 2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.749 -5.452 2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.038 -3.496 4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.595 -4.712 3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.194 -2.754 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.128 -3.357 5.700 1.00 0.00 H new ATOM 251 N SER A 20 -4.215 -7.367 2.490 1.00 0.00 N ATOM 252 CA SER A 20 -5.513 -7.783 1.973 1.00 0.00 C ATOM 253 C SER A 20 -6.235 -6.612 1.313 1.00 0.00 C ATOM 254 O SER A 20 -6.850 -6.764 0.258 1.00 0.00 O ATOM 255 CB SER A 20 -6.374 -8.359 3.098 1.00 0.00 C ATOM 256 OG SER A 20 -7.346 -9.255 2.589 1.00 0.00 O ATOM 0 H SER A 20 -4.109 -7.475 3.499 1.00 0.00 H new ATOM 0 HA SER A 20 -5.346 -8.555 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.739 -8.877 3.817 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.868 -7.548 3.634 1.00 0.00 H new ATOM 0 HG SER A 20 -7.882 -9.611 3.328 1.00 0.00 H new ATOM 262 N GLU A 21 -6.155 -5.445 1.943 1.00 0.00 N ATOM 263 CA GLU A 21 -6.802 -4.248 1.418 1.00 0.00 C ATOM 264 C GLU A 21 -6.044 -3.706 0.209 1.00 0.00 C ATOM 265 O GLU A 21 -4.981 -4.213 -0.149 1.00 0.00 O ATOM 266 CB GLU A 21 -6.891 -3.172 2.502 1.00 0.00 C ATOM 267 CG GLU A 21 -8.047 -3.375 3.467 1.00 0.00 C ATOM 268 CD GLU A 21 -8.472 -2.088 4.148 1.00 0.00 C ATOM 269 OE1 GLU A 21 -8.198 -1.005 3.591 1.00 0.00 O ATOM 270 OE2 GLU A 21 -9.077 -2.165 5.238 1.00 0.00 O ATOM 0 H GLU A 21 -5.649 -5.302 2.817 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.809 -4.519 1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.957 -3.157 3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.993 -2.196 2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.896 -3.794 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.759 -4.104 4.224 1.00 0.00 H new ATOM 277 N ASP A 22 -6.600 -2.673 -0.415 1.00 0.00 N ATOM 278 CA ASP A 22 -5.977 -2.061 -1.583 1.00 0.00 C ATOM 279 C ASP A 22 -5.422 -0.682 -1.243 1.00 0.00 C ATOM 280 O ASP A 22 -4.519 -0.182 -1.915 1.00 0.00 O ATOM 281 CB ASP A 22 -6.988 -1.950 -2.726 1.00 0.00 C ATOM 282 CG ASP A 22 -6.464 -1.122 -3.883 1.00 0.00 C ATOM 283 OD1 ASP A 22 -6.191 0.080 -3.678 1.00 0.00 O ATOM 284 OD2 ASP A 22 -6.325 -1.676 -4.994 1.00 0.00 O ATOM 0 H ASP A 22 -7.480 -2.242 -0.132 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.150 -2.697 -1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.240 -2.949 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.909 -1.503 -2.351 1.00 0.00 H new ATOM 289 N ARG A 23 -5.968 -0.071 -0.196 1.00 0.00 N ATOM 290 CA ARG A 23 -5.528 1.251 0.232 1.00 0.00 C ATOM 291 C ARG A 23 -4.380 1.145 1.232 1.00 0.00 C ATOM 292 O ARG A 23 -3.435 1.935 1.194 1.00 0.00 O ATOM 293 CB ARG A 23 -6.693 2.022 0.856 1.00 0.00 C ATOM 294 CG ARG A 23 -7.230 1.387 2.129 1.00 0.00 C ATOM 295 CD ARG A 23 -8.668 1.805 2.395 1.00 0.00 C ATOM 296 NE ARG A 23 -8.765 3.206 2.797 1.00 0.00 N ATOM 297 CZ ARG A 23 -8.609 3.625 4.048 1.00 0.00 C ATOM 298 NH1 ARG A 23 -8.349 2.755 5.014 1.00 0.00 N ATOM 299 NH2 ARG A 23 -8.713 4.916 4.334 1.00 0.00 N ATOM 0 H ARG A 23 -6.716 -0.471 0.371 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.173 1.790 -0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.368 3.039 1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.501 2.096 0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.174 0.301 2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.604 1.675 2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.265 1.643 1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.091 1.173 3.176 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.963 3.901 2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.268 1.762 4.797 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.230 3.079 5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.913 5.588 3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.593 5.237 5.295 1.00 0.00 H new ATOM 313 N LEU A 24 -4.469 0.166 2.125 1.00 0.00 N ATOM 314 CA LEU A 24 -3.438 -0.043 3.136 1.00 0.00 C ATOM 315 C LEU A 24 -2.070 -0.230 2.487 1.00 0.00 C ATOM 316 O LEU A 24 -1.078 0.352 2.928 1.00 0.00 O ATOM 317 CB LEU A 24 -3.778 -1.262 3.995 1.00 0.00 C ATOM 318 CG LEU A 24 -4.720 -1.010 5.173 1.00 0.00 C ATOM 319 CD1 LEU A 24 -5.139 -2.325 5.812 1.00 0.00 C ATOM 320 CD2 LEU A 24 -4.058 -0.103 6.201 1.00 0.00 C ATOM 0 H LEU A 24 -5.244 -0.496 2.170 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.401 0.842 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.226 -2.021 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.849 -1.680 4.382 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.613 -0.510 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.809 -2.126 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.653 -2.941 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.256 -2.852 6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.743 0.066 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.148 -0.576 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.809 0.851 5.737 1.00 0.00 H new ATOM 332 N ILE A 25 -2.024 -1.044 1.438 1.00 0.00 N ATOM 333 CA ILE A 25 -0.779 -1.304 0.727 1.00 0.00 C ATOM 334 C ILE A 25 -0.223 -0.027 0.106 1.00 0.00 C ATOM 335 O ILE A 25 0.990 0.179 0.064 1.00 0.00 O ATOM 336 CB ILE A 25 -0.972 -2.358 -0.379 1.00 0.00 C ATOM 337 CG1 ILE A 25 0.356 -2.636 -1.087 1.00 0.00 C ATOM 338 CG2 ILE A 25 -2.023 -1.894 -1.376 1.00 0.00 C ATOM 339 CD1 ILE A 25 1.281 -3.541 -0.304 1.00 0.00 C ATOM 0 H ILE A 25 -2.835 -1.535 1.062 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.070 -1.686 1.462 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.318 -3.284 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.153 -3.089 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.862 -1.690 -1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.148 -2.650 -2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.972 -1.743 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.704 -0.956 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.202 -3.694 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.514 -3.080 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.794 -4.502 -0.137 1.00 0.00 H new ATOM 351 N LYS A 26 -1.118 0.828 -0.375 1.00 0.00 N ATOM 352 CA LYS A 26 -0.720 2.088 -0.992 1.00 0.00 C ATOM 353 C LYS A 26 -0.175 3.057 0.052 1.00 0.00 C ATOM 354 O LYS A 26 0.952 3.539 -0.064 1.00 0.00 O ATOM 355 CB LYS A 26 -1.907 2.721 -1.721 1.00 0.00 C ATOM 356 CG LYS A 26 -2.323 1.971 -2.974 1.00 0.00 C ATOM 357 CD LYS A 26 -3.766 2.264 -3.347 1.00 0.00 C ATOM 358 CE LYS A 26 -3.884 3.548 -4.154 1.00 0.00 C ATOM 359 NZ LYS A 26 -5.163 3.611 -4.913 1.00 0.00 N ATOM 0 H LYS A 26 -2.126 0.671 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 26 0.070 1.877 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.756 2.771 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.653 3.746 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.669 2.250 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.198 0.900 -2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.170 1.432 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.367 2.346 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.817 4.405 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.046 3.619 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.205 4.501 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.216 2.807 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.963 3.569 -4.250 1.00 0.00 H new ATOM 373 N SER A 27 -0.980 3.335 1.072 1.00 0.00 N ATOM 374 CA SER A 27 -0.579 4.249 2.135 1.00 0.00 C ATOM 375 C SER A 27 0.654 3.725 2.864 1.00 0.00 C ATOM 376 O SER A 27 1.557 4.489 3.209 1.00 0.00 O ATOM 377 CB SER A 27 -1.727 4.445 3.128 1.00 0.00 C ATOM 378 OG SER A 27 -2.222 3.199 3.588 1.00 0.00 O ATOM 0 H SER A 27 -1.914 2.940 1.185 1.00 0.00 H new ATOM 0 HA SER A 27 -0.332 5.209 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.382 5.038 3.975 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.531 5.006 2.653 1.00 0.00 H new ATOM 0 HG SER A 27 -2.766 2.784 2.886 1.00 0.00 H new ATOM 384 N HIS A 28 0.687 2.416 3.096 1.00 0.00 N ATOM 385 CA HIS A 28 1.810 1.789 3.783 1.00 0.00 C ATOM 386 C HIS A 28 3.132 2.176 3.129 1.00 0.00 C ATOM 387 O HIS A 28 3.960 2.858 3.735 1.00 0.00 O ATOM 388 CB HIS A 28 1.652 0.268 3.780 1.00 0.00 C ATOM 389 CG HIS A 28 2.953 -0.469 3.846 1.00 0.00 C ATOM 390 ND1 HIS A 28 3.590 -0.767 5.032 1.00 0.00 N ATOM 391 CD2 HIS A 28 3.738 -0.971 2.863 1.00 0.00 C ATOM 392 CE1 HIS A 28 4.711 -1.419 4.776 1.00 0.00 C ATOM 393 NE2 HIS A 28 4.823 -1.556 3.467 1.00 0.00 N ATOM 0 H HIS A 28 -0.051 1.769 2.818 1.00 0.00 H new ATOM 0 HA HIS A 28 1.817 2.144 4.813 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.034 -0.026 4.628 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.119 -0.032 2.878 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.249 -0.522 5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.546 -0.920 1.801 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.415 -1.778 5.512 1.00 0.00 H new ATOM 401 N ILE A 29 3.325 1.737 1.889 1.00 0.00 N ATOM 402 CA ILE A 29 4.546 2.039 1.154 1.00 0.00 C ATOM 403 C ILE A 29 5.037 3.450 1.457 1.00 0.00 C ATOM 404 O ILE A 29 6.234 3.731 1.393 1.00 0.00 O ATOM 405 CB ILE A 29 4.339 1.895 -0.365 1.00 0.00 C ATOM 406 CG1 ILE A 29 3.931 0.462 -0.713 1.00 0.00 C ATOM 407 CG2 ILE A 29 5.605 2.287 -1.113 1.00 0.00 C ATOM 408 CD1 ILE A 29 3.327 0.323 -2.093 1.00 0.00 C ATOM 0 H ILE A 29 2.651 1.171 1.373 1.00 0.00 H new ATOM 0 HA ILE A 29 5.296 1.319 1.481 1.00 0.00 H new ATOM 0 HB ILE A 29 3.537 2.566 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.806 -0.184 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.213 0.108 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.442 2.180 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.856 3.323 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.425 1.639 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.062 -0.719 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.433 0.942 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.051 0.646 -2.841 1.00 0.00 H new ATOM 420 N LYS A 30 4.104 4.336 1.789 1.00 0.00 N ATOM 421 CA LYS A 30 4.439 5.719 2.106 1.00 0.00 C ATOM 422 C LYS A 30 4.985 5.835 3.526 1.00 0.00 C ATOM 423 O LYS A 30 6.158 6.150 3.728 1.00 0.00 O ATOM 424 CB LYS A 30 3.208 6.614 1.948 1.00 0.00 C ATOM 425 CG LYS A 30 3.529 8.098 1.959 1.00 0.00 C ATOM 426 CD LYS A 30 2.287 8.935 2.218 1.00 0.00 C ATOM 427 CE LYS A 30 1.494 9.166 0.940 1.00 0.00 C ATOM 428 NZ LYS A 30 2.232 10.031 -0.022 1.00 0.00 N ATOM 0 H LYS A 30 3.109 4.120 1.845 1.00 0.00 H new ATOM 0 HA LYS A 30 5.211 6.047 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.707 6.366 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.506 6.397 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.275 8.304 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.968 8.383 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.657 8.435 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.576 9.895 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.274 8.207 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.538 9.628 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.557 10.481 -0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.752 10.765 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.903 9.452 -0.565 1.00 0.00 H new ATOM 442 N THR A 31 4.127 5.577 4.508 1.00 0.00 N ATOM 443 CA THR A 31 4.523 5.652 5.909 1.00 0.00 C ATOM 444 C THR A 31 5.707 4.735 6.195 1.00 0.00 C ATOM 445 O THR A 31 6.695 5.151 6.797 1.00 0.00 O ATOM 446 CB THR A 31 3.358 5.274 6.843 1.00 0.00 C ATOM 447 OG1 THR A 31 3.821 5.195 8.196 1.00 0.00 O ATOM 448 CG2 THR A 31 2.745 3.944 6.433 1.00 0.00 C ATOM 0 H THR A 31 3.153 5.314 4.359 1.00 0.00 H new ATOM 0 HA THR A 31 4.812 6.685 6.101 1.00 0.00 H new ATOM 0 HB THR A 31 2.594 6.047 6.765 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.074 4.956 8.784 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.925 3.698 7.107 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.367 4.016 5.413 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.503 3.163 6.484 1.00 0.00 H new ATOM 456 N ASN A 32 5.599 3.484 5.759 1.00 0.00 N ATOM 457 CA ASN A 32 6.662 2.507 5.969 1.00 0.00 C ATOM 458 C ASN A 32 7.908 2.880 5.173 1.00 0.00 C ATOM 459 O ASN A 32 9.026 2.827 5.687 1.00 0.00 O ATOM 460 CB ASN A 32 6.185 1.110 5.568 1.00 0.00 C ATOM 461 CG ASN A 32 5.544 0.364 6.722 1.00 0.00 C ATOM 462 OD1 ASN A 32 6.165 -0.504 7.336 1.00 0.00 O ATOM 463 ND2 ASN A 32 4.294 0.699 7.022 1.00 0.00 N ATOM 0 H ASN A 32 4.787 3.123 5.258 1.00 0.00 H new ATOM 0 HA ASN A 32 6.917 2.506 7.029 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.468 1.194 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.031 0.534 5.192 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.810 0.231 7.788 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.818 1.425 6.486 1.00 0.00 H new ATOM 470 N HIS A 33 7.708 3.257 3.914 1.00 0.00 N ATOM 471 CA HIS A 33 8.816 3.641 3.046 1.00 0.00 C ATOM 472 C HIS A 33 8.603 5.041 2.480 1.00 0.00 C ATOM 473 O HIS A 33 8.134 5.218 1.355 1.00 0.00 O ATOM 474 CB HIS A 33 8.969 2.635 1.905 1.00 0.00 C ATOM 475 CG HIS A 33 8.745 1.214 2.324 1.00 0.00 C ATOM 476 ND1 HIS A 33 9.507 0.584 3.285 1.00 0.00 N ATOM 477 CD2 HIS A 33 7.836 0.301 1.909 1.00 0.00 C ATOM 478 CE1 HIS A 33 9.078 -0.655 3.441 1.00 0.00 C ATOM 479 NE2 HIS A 33 8.064 -0.852 2.618 1.00 0.00 N ATOM 0 H HIS A 33 6.790 3.305 3.472 1.00 0.00 H new ATOM 0 HA HIS A 33 9.728 3.645 3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.264 2.887 1.113 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.970 2.727 1.482 1.00 0.00 H new ATOM 0 HD1 HIS A 33 10.281 1.009 3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.073 0.452 1.159 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.487 -1.384 4.125 1.00 0.00 H new ATOM 487 N PRO A 34 8.955 6.062 3.276 1.00 0.00 N ATOM 488 CA PRO A 34 8.811 7.465 2.875 1.00 0.00 C ATOM 489 C PRO A 34 9.792 7.857 1.775 1.00 0.00 C ATOM 490 O PRO A 34 9.400 8.423 0.755 1.00 0.00 O ATOM 491 CB PRO A 34 9.115 8.234 4.163 1.00 0.00 C ATOM 492 CG PRO A 34 9.982 7.318 4.956 1.00 0.00 C ATOM 493 CD PRO A 34 9.520 5.925 4.629 1.00 0.00 C ATOM 0 HA PRO A 34 7.824 7.672 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.623 9.175 3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.200 8.479 4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.032 7.452 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.890 7.519 6.023 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.345 5.213 4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.775 5.571 5.342 1.00 0.00 H new ATOM 501 N GLU A 35 11.068 7.551 1.990 1.00 0.00 N ATOM 502 CA GLU A 35 12.104 7.873 1.016 1.00 0.00 C ATOM 503 C GLU A 35 12.947 6.643 0.691 1.00 0.00 C ATOM 504 O GLU A 35 14.168 6.729 0.567 1.00 0.00 O ATOM 505 CB GLU A 35 13.000 8.995 1.543 1.00 0.00 C ATOM 506 CG GLU A 35 13.636 8.684 2.888 1.00 0.00 C ATOM 507 CD GLU A 35 14.930 7.904 2.755 1.00 0.00 C ATOM 508 OE1 GLU A 35 15.948 8.506 2.356 1.00 0.00 O ATOM 509 OE2 GLU A 35 14.923 6.690 3.050 1.00 0.00 O ATOM 0 H GLU A 35 11.408 7.081 2.829 1.00 0.00 H new ATOM 0 HA GLU A 35 11.615 8.208 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.787 9.192 0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.411 9.908 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.831 9.616 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.933 8.114 3.495 1.00 0.00 H new ATOM 516 N VAL A 36 12.285 5.498 0.556 1.00 0.00 N ATOM 517 CA VAL A 36 12.972 4.250 0.246 1.00 0.00 C ATOM 518 C VAL A 36 12.252 3.487 -0.860 1.00 0.00 C ATOM 519 O VAL A 36 11.924 2.311 -0.705 1.00 0.00 O ATOM 520 CB VAL A 36 13.083 3.347 1.489 1.00 0.00 C ATOM 521 CG1 VAL A 36 13.866 2.085 1.163 1.00 0.00 C ATOM 522 CG2 VAL A 36 13.729 4.103 2.640 1.00 0.00 C ATOM 0 H VAL A 36 11.274 5.409 0.656 1.00 0.00 H new ATOM 0 HA VAL A 36 13.974 4.515 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 36 12.079 3.054 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 36 13.934 1.459 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.357 1.535 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 36 14.869 2.354 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.800 3.450 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.728 4.427 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.123 4.974 2.888 1.00 0.00 H new ATOM 532 N SER A 37 12.010 4.164 -1.978 1.00 0.00 N ATOM 533 CA SER A 37 11.325 3.551 -3.110 1.00 0.00 C ATOM 534 C SER A 37 12.293 3.312 -4.265 1.00 0.00 C ATOM 535 O SER A 37 11.849 3.023 -5.375 1.00 0.00 O ATOM 536 CB SER A 37 10.168 4.438 -3.575 1.00 0.00 C ATOM 537 OG SER A 37 10.646 5.662 -4.107 1.00 0.00 O ATOM 0 H SER A 37 12.278 5.137 -2.124 1.00 0.00 H new ATOM 0 HA SER A 37 10.928 2.589 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.584 3.913 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.500 4.638 -2.738 1.00 0.00 H new ATOM 0 HG SER A 37 9.888 6.210 -4.399 1.00 0.00 H new TER 543 SER A 37 HETATM 544 ZN ZN A 181 6.559 -2.303 2.549 1.00 0.00 ZN