USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 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 8 TYR OH : rot 15:sc= -0.556 USER MOD Set 1.2: A 11 TYR OH : rot 50:sc= -1.01 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 141:sc= -2.19! (180deg=-4.79!) USER MOD Single : A 10 ASN : amide:sc= 0.422 K(o=0.42,f=-0.63) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0865 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 20 ASN : amide:sc= -1.36! K(o=-1.4!,f=0.14) USER MOD Single : A 21 GLN : amide:sc= -1.57 K(o=-1.6,f=-7!) USER MOD Single : A 23 ASN : amide:sc= 0.416 K(o=0.42,f=-4.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 0.211 (180deg=-0.135) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 34 SER OG : rot 180:sc= -0.208 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.685 K(o=-0.69,f=-2.3) USER MOD Single : A 46 GLN : amide:sc= -1.47 K(o=-1.5,f=-4.6!) USER MOD Single : A 51 TYR OH : rot 21:sc= -0.601 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 8.402 5.641 -6.324 1.00 0.00 N ATOM 63 CA LYS A 5 8.422 5.681 -7.781 1.00 0.00 C ATOM 64 C LYS A 5 7.034 5.410 -8.352 1.00 0.00 C ATOM 65 O LYS A 5 6.303 4.553 -7.855 1.00 0.00 O ATOM 66 CB LYS A 5 9.419 4.656 -8.327 1.00 0.00 C ATOM 67 CG LYS A 5 10.870 5.021 -8.067 1.00 0.00 C ATOM 68 CD LYS A 5 11.806 4.297 -9.020 1.00 0.00 C ATOM 69 CE LYS A 5 12.933 3.601 -8.272 1.00 0.00 C ATOM 70 NZ LYS A 5 14.017 3.155 -9.191 1.00 0.00 N ATOM 0 HA LYS A 5 8.733 6.680 -8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.211 3.685 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.267 4.550 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.000 6.098 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.131 4.770 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.243 3.563 -9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.225 5.009 -9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.346 4.279 -7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.535 2.740 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.766 2.686 -8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.629 2.488 -9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.415 3.979 -9.685 1.00 0.00 H new ATOM 84 N LYS A 6 6.676 6.144 -9.400 1.00 0.00 N ATOM 85 CA LYS A 6 5.377 5.981 -10.042 1.00 0.00 C ATOM 86 C LYS A 6 5.538 5.653 -11.522 1.00 0.00 C ATOM 87 O LYS A 6 6.478 6.112 -12.172 1.00 0.00 O ATOM 88 CB LYS A 6 4.542 7.253 -9.878 1.00 0.00 C ATOM 89 CG LYS A 6 3.166 7.005 -9.283 1.00 0.00 C ATOM 90 CD LYS A 6 2.280 6.219 -10.235 1.00 0.00 C ATOM 91 CE LYS A 6 2.057 4.797 -9.743 1.00 0.00 C ATOM 92 NZ LYS A 6 1.074 4.065 -10.589 1.00 0.00 N ATOM 0 H LYS A 6 7.268 6.859 -9.823 1.00 0.00 H new ATOM 0 HA LYS A 6 4.862 5.150 -9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.083 7.953 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.427 7.730 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.267 6.460 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.693 7.958 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.320 6.724 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.738 6.195 -11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.006 4.260 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.703 4.821 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.385 3.080 -10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.141 4.080 -10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.008 4.523 -11.520 1.00 0.00 H new ATOM 106 N VAL A 7 4.615 4.856 -12.052 1.00 0.00 N ATOM 107 CA VAL A 7 4.654 4.469 -13.457 1.00 0.00 C ATOM 108 C VAL A 7 3.961 5.507 -14.332 1.00 0.00 C ATOM 109 O VAL A 7 2.887 6.005 -13.991 1.00 0.00 O ATOM 110 CB VAL A 7 3.987 3.098 -13.680 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.537 3.128 -13.221 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.084 2.691 -15.142 1.00 0.00 C ATOM 0 H VAL A 7 3.831 4.466 -11.529 1.00 0.00 H new ATOM 0 HA VAL A 7 5.705 4.404 -13.739 1.00 0.00 H new ATOM 0 HB VAL A 7 4.516 2.355 -13.084 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.083 2.151 -13.386 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.496 3.372 -12.159 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.991 3.882 -13.788 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.608 1.720 -15.282 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.581 3.434 -15.761 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.132 2.626 -15.433 1.00 0.00 H new ATOM 122 N TYR A 8 4.581 5.829 -15.462 1.00 0.00 N ATOM 123 CA TYR A 8 4.025 6.810 -16.386 1.00 0.00 C ATOM 124 C TYR A 8 2.827 6.234 -17.135 1.00 0.00 C ATOM 125 O TYR A 8 2.824 5.064 -17.517 1.00 0.00 O ATOM 126 CB TYR A 8 5.093 7.265 -17.382 1.00 0.00 C ATOM 127 CG TYR A 8 5.091 8.756 -17.632 1.00 0.00 C ATOM 128 CD1 TYR A 8 3.986 9.385 -18.193 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.194 9.536 -17.308 1.00 0.00 C ATOM 130 CE1 TYR A 8 3.980 10.747 -18.423 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.197 10.899 -17.534 1.00 0.00 C ATOM 132 CZ TYR A 8 5.087 11.500 -18.092 1.00 0.00 C ATOM 133 OH TYR A 8 5.086 12.857 -18.319 1.00 0.00 O ATOM 0 H TYR A 8 5.469 5.425 -15.760 1.00 0.00 H new ATOM 0 HA TYR A 8 3.689 7.669 -15.806 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.074 6.969 -17.011 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.940 6.746 -18.328 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.117 8.799 -18.454 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.064 9.069 -16.872 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.113 11.220 -18.860 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.063 11.491 -17.276 1.00 0.00 H new ATOM 0 HH TYR A 8 4.169 13.160 -18.487 1.00 0.00 H new ATOM 143 N GLU A 9 1.811 7.066 -17.343 1.00 0.00 N ATOM 144 CA GLU A 9 0.607 6.640 -18.046 1.00 0.00 C ATOM 145 C GLU A 9 0.961 5.831 -19.290 1.00 0.00 C ATOM 146 O GLU A 9 0.436 4.739 -19.503 1.00 0.00 O ATOM 147 CB GLU A 9 -0.238 7.855 -18.437 1.00 0.00 C ATOM 148 CG GLU A 9 -0.532 8.791 -17.278 1.00 0.00 C ATOM 149 CD GLU A 9 -2.005 8.835 -16.921 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.611 7.753 -16.775 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.551 9.950 -16.789 1.00 0.00 O ATOM 0 H GLU A 9 1.798 8.038 -17.035 1.00 0.00 H new ATOM 0 HA GLU A 9 0.029 6.006 -17.374 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.280 8.410 -19.219 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.180 7.510 -18.862 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.040 8.474 -16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.194 9.795 -17.533 1.00 0.00 H new ATOM 158 N ASN A 10 1.854 6.376 -20.109 1.00 0.00 N ATOM 159 CA ASN A 10 2.278 5.706 -21.333 1.00 0.00 C ATOM 160 C ASN A 10 3.326 6.533 -22.072 1.00 0.00 C ATOM 161 O ASN A 10 3.041 7.632 -22.549 1.00 0.00 O ATOM 162 CB ASN A 10 1.075 5.454 -22.244 1.00 0.00 C ATOM 163 CG ASN A 10 -0.011 6.497 -22.068 1.00 0.00 C ATOM 164 OD1 ASN A 10 -1.122 6.186 -21.637 1.00 0.00 O ATOM 165 ND2 ASN A 10 0.305 7.743 -22.403 1.00 0.00 N ATOM 0 H ASN A 10 2.298 7.280 -19.947 1.00 0.00 H new ATOM 0 HA ASN A 10 2.724 4.750 -21.058 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.404 5.448 -23.283 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.664 4.466 -22.034 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.386 8.488 -22.307 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.238 7.955 -22.756 1.00 0.00 H new ATOM 172 N TYR A 11 4.538 5.998 -22.162 1.00 0.00 N ATOM 173 CA TYR A 11 5.629 6.687 -22.841 1.00 0.00 C ATOM 174 C TYR A 11 6.219 5.817 -23.946 1.00 0.00 C ATOM 175 O TYR A 11 6.064 4.596 -23.960 1.00 0.00 O ATOM 176 CB TYR A 11 6.720 7.069 -21.839 1.00 0.00 C ATOM 177 CG TYR A 11 6.786 8.552 -21.551 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.627 9.297 -21.376 1.00 0.00 C ATOM 179 CD2 TYR A 11 8.007 9.208 -21.455 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.682 10.652 -21.113 1.00 0.00 C ATOM 181 CE2 TYR A 11 8.072 10.562 -21.191 1.00 0.00 C ATOM 182 CZ TYR A 11 6.906 11.280 -21.021 1.00 0.00 C ATOM 183 OH TYR A 11 6.966 12.630 -20.760 1.00 0.00 O ATOM 0 H TYR A 11 4.790 5.089 -21.773 1.00 0.00 H new ATOM 0 HA TYR A 11 5.227 7.593 -23.294 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.548 6.534 -20.905 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.685 6.739 -22.222 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.666 8.809 -21.447 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.921 8.649 -21.589 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.771 11.217 -20.980 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.030 11.056 -21.118 1.00 0.00 H new ATOM 0 HH TYR A 11 6.398 12.840 -19.989 1.00 0.00 H new ATOM 193 N PRO A 12 6.914 6.460 -24.896 1.00 0.00 N ATOM 194 CA PRO A 12 7.544 5.765 -26.023 1.00 0.00 C ATOM 195 C PRO A 12 8.734 4.916 -25.590 1.00 0.00 C ATOM 196 O PRO A 12 9.654 5.407 -24.935 1.00 0.00 O ATOM 197 CB PRO A 12 8.005 6.908 -26.931 1.00 0.00 C ATOM 198 CG PRO A 12 8.180 8.071 -26.017 1.00 0.00 C ATOM 199 CD PRO A 12 7.140 7.914 -24.943 1.00 0.00 C ATOM 0 HA PRO A 12 6.859 5.068 -26.506 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.937 6.659 -27.438 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.268 7.120 -27.705 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.183 8.084 -25.590 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.049 9.011 -26.553 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.491 8.297 -23.985 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.226 8.455 -25.187 1.00 0.00 H new ATOM 207 N VAL A 13 8.710 3.640 -25.959 1.00 0.00 N ATOM 208 CA VAL A 13 9.788 2.722 -25.609 1.00 0.00 C ATOM 209 C VAL A 13 11.078 3.089 -26.333 1.00 0.00 C ATOM 210 O VAL A 13 12.174 2.777 -25.867 1.00 0.00 O ATOM 211 CB VAL A 13 9.418 1.266 -25.948 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.606 0.345 -25.714 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.216 0.818 -25.130 1.00 0.00 C ATOM 0 H VAL A 13 7.956 3.218 -26.500 1.00 0.00 H new ATOM 0 HA VAL A 13 9.941 2.809 -24.533 1.00 0.00 H new ATOM 0 HB VAL A 13 9.150 1.213 -27.003 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.326 -0.680 -25.959 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.437 0.655 -26.347 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.907 0.399 -24.668 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.968 -0.213 -25.382 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.453 0.885 -24.068 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.364 1.461 -25.353 1.00 0.00 H new ATOM 223 N SER A 14 10.941 3.754 -27.476 1.00 0.00 N ATOM 224 CA SER A 14 12.096 4.161 -28.268 1.00 0.00 C ATOM 225 C SER A 14 12.953 5.165 -27.502 1.00 0.00 C ATOM 226 O SER A 14 14.159 4.977 -27.344 1.00 0.00 O ATOM 227 CB SER A 14 11.642 4.768 -29.596 1.00 0.00 C ATOM 228 OG SER A 14 10.269 5.116 -29.555 1.00 0.00 O ATOM 0 H SER A 14 10.041 4.022 -27.874 1.00 0.00 H new ATOM 0 HA SER A 14 12.698 3.275 -28.470 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.238 5.653 -29.817 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.816 4.056 -30.403 1.00 0.00 H new ATOM 0 HG SER A 14 10.004 5.503 -30.415 1.00 0.00 H new ATOM 234 N LYS A 15 12.320 6.233 -27.028 1.00 0.00 N ATOM 235 CA LYS A 15 13.021 7.268 -26.278 1.00 0.00 C ATOM 236 C LYS A 15 13.466 6.745 -24.916 1.00 0.00 C ATOM 237 O LYS A 15 14.439 7.233 -24.340 1.00 0.00 O ATOM 238 CB LYS A 15 12.122 8.493 -26.097 1.00 0.00 C ATOM 239 CG LYS A 15 12.053 9.383 -27.326 1.00 0.00 C ATOM 240 CD LYS A 15 11.214 10.624 -27.070 1.00 0.00 C ATOM 241 CE LYS A 15 11.532 11.728 -28.067 1.00 0.00 C ATOM 242 NZ LYS A 15 10.559 12.852 -27.978 1.00 0.00 N ATOM 0 H LYS A 15 11.322 6.404 -27.150 1.00 0.00 H new ATOM 0 HA LYS A 15 13.907 7.556 -26.844 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.116 8.160 -25.842 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.487 9.080 -25.254 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.060 9.678 -27.620 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.630 8.822 -28.159 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.156 10.369 -27.134 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.395 10.984 -26.057 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.539 12.104 -27.884 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.523 11.319 -29.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.810 13.584 -28.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.601 12.499 -28.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.586 13.259 -27.021 1.00 0.00 H new ATOM 256 N CYS A 16 12.749 5.750 -24.406 1.00 0.00 N ATOM 257 CA CYS A 16 13.070 5.160 -23.112 1.00 0.00 C ATOM 258 C CYS A 16 14.477 4.569 -23.118 1.00 0.00 C ATOM 259 O CYS A 16 15.107 4.434 -22.070 1.00 0.00 O ATOM 260 CB CYS A 16 12.051 4.076 -22.755 1.00 0.00 C ATOM 261 SG CYS A 16 11.359 4.229 -21.077 1.00 0.00 S ATOM 0 H CYS A 16 11.941 5.335 -24.869 1.00 0.00 H new ATOM 0 HA CYS A 16 13.029 5.949 -22.361 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.235 4.108 -23.477 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.526 3.100 -22.853 1.00 0.00 H new ATOM 266 N GLN A 17 14.961 4.220 -24.305 1.00 0.00 N ATOM 267 CA GLN A 17 16.293 3.643 -24.447 1.00 0.00 C ATOM 268 C GLN A 17 17.350 4.559 -23.839 1.00 0.00 C ATOM 269 O GLN A 17 18.434 4.110 -23.464 1.00 0.00 O ATOM 270 CB GLN A 17 16.608 3.390 -25.922 1.00 0.00 C ATOM 271 CG GLN A 17 16.162 2.023 -26.414 1.00 0.00 C ATOM 272 CD GLN A 17 17.038 1.489 -27.530 1.00 0.00 C ATOM 273 OE1 GLN A 17 18.245 1.316 -27.358 1.00 0.00 O ATOM 274 NE2 GLN A 17 16.434 1.225 -28.682 1.00 0.00 N ATOM 0 H GLN A 17 14.451 4.326 -25.182 1.00 0.00 H new ATOM 0 HA GLN A 17 16.309 2.694 -23.912 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.125 4.159 -26.525 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.682 3.490 -26.078 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.173 1.320 -25.581 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.132 2.086 -26.765 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.431 1.383 -28.780 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.973 0.864 -29.469 1.00 0.00 H new ATOM 283 N LEU A 18 17.028 5.844 -23.744 1.00 0.00 N ATOM 284 CA LEU A 18 17.950 6.824 -23.181 1.00 0.00 C ATOM 285 C LEU A 18 17.552 7.191 -21.755 1.00 0.00 C ATOM 286 O LEU A 18 16.401 7.537 -21.491 1.00 0.00 O ATOM 287 CB LEU A 18 17.984 8.081 -24.052 1.00 0.00 C ATOM 288 CG LEU A 18 18.317 7.865 -25.529 1.00 0.00 C ATOM 289 CD1 LEU A 18 18.380 9.196 -26.262 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.630 7.111 -25.676 1.00 0.00 C ATOM 0 H LEU A 18 16.135 6.232 -24.050 1.00 0.00 H new ATOM 0 HA LEU A 18 18.944 6.378 -23.158 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.012 8.570 -23.987 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.717 8.770 -23.632 1.00 0.00 H new ATOM 0 HG LEU A 18 17.525 7.264 -25.976 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.618 9.023 -27.311 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.416 9.699 -26.187 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.151 9.822 -25.814 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.850 6.967 -26.734 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.433 7.685 -25.213 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.549 6.140 -25.187 1.00 0.00 H new ATOM 302 N ALA A 19 18.512 7.115 -20.839 1.00 0.00 N ATOM 303 CA ALA A 19 18.263 7.443 -19.441 1.00 0.00 C ATOM 304 C ALA A 19 17.989 8.933 -19.267 1.00 0.00 C ATOM 305 O ALA A 19 17.017 9.324 -18.624 1.00 0.00 O ATOM 306 CB ALA A 19 19.442 7.016 -18.580 1.00 0.00 C ATOM 0 H ALA A 19 19.470 6.829 -21.041 1.00 0.00 H new ATOM 0 HA ALA A 19 17.376 6.898 -19.118 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.242 7.267 -17.538 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.589 5.940 -18.672 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.342 7.534 -18.912 1.00 0.00 H new ATOM 312 N ASN A 20 18.855 9.760 -19.844 1.00 0.00 N ATOM 313 CA ASN A 20 18.708 11.208 -19.752 1.00 0.00 C ATOM 314 C ASN A 20 17.338 11.649 -20.259 1.00 0.00 C ATOM 315 O ASN A 20 16.859 12.730 -19.920 1.00 0.00 O ATOM 316 CB ASN A 20 19.809 11.906 -20.551 1.00 0.00 C ATOM 317 CG ASN A 20 20.014 11.283 -21.919 1.00 0.00 C ATOM 318 OD1 ASN A 20 19.447 11.739 -22.912 1.00 0.00 O ATOM 319 ND2 ASN A 20 20.828 10.235 -21.975 1.00 0.00 N ATOM 0 H ASN A 20 19.666 9.452 -20.380 1.00 0.00 H new ATOM 0 HA ASN A 20 18.796 11.491 -18.703 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.556 12.960 -20.669 1.00 0.00 H new ATOM 0 HB3 ASN A 20 20.743 11.863 -19.991 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.005 9.774 -22.867 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.276 9.892 -21.126 1.00 0.00 H new ATOM 326 N GLN A 21 16.714 10.803 -21.073 1.00 0.00 N ATOM 327 CA GLN A 21 15.400 11.106 -21.627 1.00 0.00 C ATOM 328 C GLN A 21 14.311 10.929 -20.574 1.00 0.00 C ATOM 329 O GLN A 21 13.622 11.883 -20.212 1.00 0.00 O ATOM 330 CB GLN A 21 15.112 10.208 -22.832 1.00 0.00 C ATOM 331 CG GLN A 21 15.461 10.848 -24.165 1.00 0.00 C ATOM 332 CD GLN A 21 14.281 11.558 -24.799 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.808 11.169 -25.867 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.798 12.606 -24.142 1.00 0.00 N ATOM 0 H GLN A 21 17.097 9.903 -21.363 1.00 0.00 H new ATOM 0 HA GLN A 21 15.401 12.147 -21.950 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.674 9.280 -22.726 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.055 9.942 -22.832 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.273 11.560 -24.020 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.828 10.081 -24.847 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.221 12.894 -23.260 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.004 13.123 -24.520 1.00 0.00 H new ATOM 343 N CYS A 22 14.161 9.702 -20.086 1.00 0.00 N ATOM 344 CA CYS A 22 13.155 9.398 -19.075 1.00 0.00 C ATOM 345 C CYS A 22 13.243 10.379 -17.909 1.00 0.00 C ATOM 346 O CYS A 22 12.227 10.876 -17.425 1.00 0.00 O ATOM 347 CB CYS A 22 13.330 7.967 -18.565 1.00 0.00 C ATOM 348 SG CYS A 22 11.781 7.176 -18.022 1.00 0.00 S ATOM 0 H CYS A 22 14.724 8.902 -20.375 1.00 0.00 H new ATOM 0 HA CYS A 22 12.172 9.494 -19.536 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.776 7.363 -19.355 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.034 7.973 -17.733 1.00 0.00 H new ATOM 353 N ASN A 23 14.465 10.654 -17.465 1.00 0.00 N ATOM 354 CA ASN A 23 14.686 11.575 -16.356 1.00 0.00 C ATOM 355 C ASN A 23 14.278 12.994 -16.739 1.00 0.00 C ATOM 356 O ASN A 23 13.472 13.625 -16.055 1.00 0.00 O ATOM 357 CB ASN A 23 16.155 11.551 -15.931 1.00 0.00 C ATOM 358 CG ASN A 23 16.363 12.109 -14.536 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.208 11.399 -13.542 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.715 13.387 -14.457 1.00 0.00 N ATOM 0 H ASN A 23 15.317 10.252 -17.856 1.00 0.00 H new ATOM 0 HA ASN A 23 14.068 11.252 -15.518 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.524 10.526 -15.968 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.746 12.129 -16.642 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.868 13.818 -13.546 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.832 13.937 -15.308 1.00 0.00 H new ATOM 367 N TYR A 24 14.841 13.490 -17.835 1.00 0.00 N ATOM 368 CA TYR A 24 14.538 14.835 -18.308 1.00 0.00 C ATOM 369 C TYR A 24 13.035 15.025 -18.484 1.00 0.00 C ATOM 370 O TYR A 24 12.467 16.022 -18.037 1.00 0.00 O ATOM 371 CB TYR A 24 15.257 15.107 -19.631 1.00 0.00 C ATOM 372 CG TYR A 24 15.030 16.503 -20.167 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.440 17.619 -19.448 1.00 0.00 C ATOM 374 CD2 TYR A 24 14.406 16.705 -21.392 1.00 0.00 C ATOM 375 CE1 TYR A 24 15.235 18.896 -19.934 1.00 0.00 C ATOM 376 CE2 TYR A 24 14.199 17.978 -21.886 1.00 0.00 C ATOM 377 CZ TYR A 24 14.614 19.070 -21.153 1.00 0.00 C ATOM 378 OH TYR A 24 14.408 20.340 -21.641 1.00 0.00 O ATOM 0 H TYR A 24 15.510 12.981 -18.413 1.00 0.00 H new ATOM 0 HA TYR A 24 14.890 15.544 -17.559 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.327 14.949 -19.493 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.921 14.383 -20.373 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.927 17.486 -18.493 1.00 0.00 H new ATOM 0 HD2 TYR A 24 14.077 15.852 -21.967 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.559 19.753 -19.362 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.715 18.118 -22.841 1.00 0.00 H new ATOM 0 HH TYR A 24 13.960 20.287 -22.511 1.00 0.00 H new ATOM 388 N ASP A 25 12.396 14.062 -19.139 1.00 0.00 N ATOM 389 CA ASP A 25 10.958 14.120 -19.374 1.00 0.00 C ATOM 390 C ASP A 25 10.189 14.013 -18.061 1.00 0.00 C ATOM 391 O ASP A 25 9.326 14.841 -17.765 1.00 0.00 O ATOM 392 CB ASP A 25 10.529 13.001 -20.324 1.00 0.00 C ATOM 393 CG ASP A 25 9.551 13.480 -21.378 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.816 14.453 -21.107 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.519 12.882 -22.474 1.00 0.00 O ATOM 0 H ASP A 25 12.852 13.231 -19.517 1.00 0.00 H new ATOM 0 HA ASP A 25 10.728 15.082 -19.832 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.410 12.585 -20.812 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.073 12.195 -19.749 1.00 0.00 H new ATOM 400 N CYS A 26 10.505 12.987 -17.278 1.00 0.00 N ATOM 401 CA CYS A 26 9.843 12.770 -15.997 1.00 0.00 C ATOM 402 C CYS A 26 9.943 14.011 -15.115 1.00 0.00 C ATOM 403 O CYS A 26 8.965 14.424 -14.491 1.00 0.00 O ATOM 404 CB CYS A 26 10.459 11.569 -15.278 1.00 0.00 C ATOM 405 SG CYS A 26 9.909 11.372 -13.553 1.00 0.00 S ATOM 0 H CYS A 26 11.216 12.292 -17.508 1.00 0.00 H new ATOM 0 HA CYS A 26 8.790 12.568 -16.191 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.214 10.663 -15.832 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.544 11.668 -15.293 1.00 0.00 H new ATOM 410 N LYS A 27 11.131 14.603 -15.069 1.00 0.00 N ATOM 411 CA LYS A 27 11.361 15.798 -14.266 1.00 0.00 C ATOM 412 C LYS A 27 10.826 17.039 -14.972 1.00 0.00 C ATOM 413 O LYS A 27 10.901 18.149 -14.442 1.00 0.00 O ATOM 414 CB LYS A 27 12.855 15.965 -13.979 1.00 0.00 C ATOM 415 CG LYS A 27 13.150 16.894 -12.814 1.00 0.00 C ATOM 416 CD LYS A 27 14.259 17.876 -13.151 1.00 0.00 C ATOM 417 CE LYS A 27 13.747 19.021 -14.012 1.00 0.00 C ATOM 418 NZ LYS A 27 12.895 19.962 -13.233 1.00 0.00 N ATOM 0 H LYS A 27 11.951 14.274 -15.579 1.00 0.00 H new ATOM 0 HA LYS A 27 10.827 15.680 -13.323 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.288 14.987 -13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.348 16.349 -14.873 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.246 17.442 -12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.436 16.306 -11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.686 18.274 -12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.061 17.355 -13.675 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.592 19.563 -14.436 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.174 18.619 -14.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.044 20.932 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.895 19.703 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.150 19.909 -12.226 1.00 0.00 H new ATOM 432 N LEU A 28 10.286 16.846 -16.170 1.00 0.00 N ATOM 433 CA LEU A 28 9.737 17.951 -16.949 1.00 0.00 C ATOM 434 C LEU A 28 8.215 17.983 -16.850 1.00 0.00 C ATOM 435 O LEU A 28 7.626 19.013 -16.520 1.00 0.00 O ATOM 436 CB LEU A 28 10.161 17.829 -18.413 1.00 0.00 C ATOM 437 CG LEU A 28 9.577 18.868 -19.371 1.00 0.00 C ATOM 438 CD1 LEU A 28 10.248 20.218 -19.167 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.726 18.408 -20.813 1.00 0.00 C ATOM 0 H LEU A 28 10.216 15.935 -16.623 1.00 0.00 H new ATOM 0 HA LEU A 28 10.130 18.882 -16.540 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.248 17.890 -18.462 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.881 16.838 -18.770 1.00 0.00 H new ATOM 0 HG LEU A 28 8.514 18.977 -19.155 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.820 20.945 -19.857 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.088 20.553 -18.142 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.318 20.125 -19.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.305 19.160 -21.480 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.782 18.269 -21.043 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.198 17.464 -20.950 1.00 0.00 H new ATOM 451 N ASP A 29 7.584 16.850 -17.135 1.00 0.00 N ATOM 452 CA ASP A 29 6.131 16.747 -17.075 1.00 0.00 C ATOM 453 C ASP A 29 5.668 16.416 -15.660 1.00 0.00 C ATOM 454 O ASP A 29 4.763 17.057 -15.125 1.00 0.00 O ATOM 455 CB ASP A 29 5.633 15.680 -18.051 1.00 0.00 C ATOM 456 CG ASP A 29 5.069 16.278 -19.325 1.00 0.00 C ATOM 457 OD1 ASP A 29 4.258 17.223 -19.228 1.00 0.00 O ATOM 458 OD2 ASP A 29 5.438 15.801 -20.419 1.00 0.00 O ATOM 0 H ASP A 29 8.056 15.989 -17.410 1.00 0.00 H new ATOM 0 HA ASP A 29 5.711 17.712 -17.359 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.455 15.009 -18.301 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.866 15.077 -17.565 1.00 0.00 H new ATOM 463 N LYS A 30 6.293 15.409 -15.058 1.00 0.00 N ATOM 464 CA LYS A 30 5.947 14.992 -13.705 1.00 0.00 C ATOM 465 C LYS A 30 6.714 15.808 -12.670 1.00 0.00 C ATOM 466 O LYS A 30 6.358 15.827 -11.492 1.00 0.00 O ATOM 467 CB LYS A 30 6.244 13.502 -13.517 1.00 0.00 C ATOM 468 CG LYS A 30 5.723 12.631 -14.647 1.00 0.00 C ATOM 469 CD LYS A 30 4.743 11.587 -14.140 1.00 0.00 C ATOM 470 CE LYS A 30 3.739 11.196 -15.215 1.00 0.00 C ATOM 471 NZ LYS A 30 2.390 10.930 -14.643 1.00 0.00 N ATOM 0 H LYS A 30 7.043 14.866 -15.487 1.00 0.00 H new ATOM 0 HA LYS A 30 4.881 15.166 -13.560 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.322 13.363 -13.430 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.802 13.168 -12.578 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.235 13.257 -15.394 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.559 12.137 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.289 10.703 -13.812 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.213 11.976 -13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.669 11.994 -15.954 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.094 10.308 -15.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.735 10.667 -15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.452 10.152 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.040 11.786 -14.166 1.00 0.00 H new ATOM 485 N HIS A 31 7.768 16.484 -13.119 1.00 0.00 N ATOM 486 CA HIS A 31 8.584 17.304 -12.231 1.00 0.00 C ATOM 487 C HIS A 31 9.106 16.481 -11.058 1.00 0.00 C ATOM 488 O HIS A 31 9.347 17.012 -9.974 1.00 0.00 O ATOM 489 CB HIS A 31 7.775 18.495 -11.715 1.00 0.00 C ATOM 490 CG HIS A 31 8.529 19.788 -11.741 1.00 0.00 C ATOM 491 ND1 HIS A 31 9.809 19.923 -11.246 1.00 0.00 N ATOM 492 CD2 HIS A 31 8.177 21.009 -12.207 1.00 0.00 C ATOM 493 CE1 HIS A 31 10.211 21.171 -11.406 1.00 0.00 C ATOM 494 NE2 HIS A 31 9.240 21.851 -11.987 1.00 0.00 N ATOM 0 H HIS A 31 8.076 16.480 -14.091 1.00 0.00 H new ATOM 0 HA HIS A 31 9.437 17.674 -12.800 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.872 18.598 -12.317 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.455 18.291 -10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.236 21.272 -12.666 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.171 21.568 -11.111 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.274 22.840 -12.233 1.00 0.00 H new ATOM 502 N ALA A 32 9.277 15.183 -11.282 1.00 0.00 N ATOM 503 CA ALA A 32 9.772 14.287 -10.243 1.00 0.00 C ATOM 504 C ALA A 32 11.272 14.462 -10.036 1.00 0.00 C ATOM 505 O ALA A 32 11.989 14.885 -10.944 1.00 0.00 O ATOM 506 CB ALA A 32 9.450 12.842 -10.596 1.00 0.00 C ATOM 0 H ALA A 32 9.080 14.728 -12.173 1.00 0.00 H new ATOM 0 HA ALA A 32 9.272 14.542 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.825 12.184 -9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.370 12.721 -10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.924 12.585 -11.543 1.00 0.00 H new ATOM 512 N ARG A 33 11.742 14.135 -8.837 1.00 0.00 N ATOM 513 CA ARG A 33 13.157 14.257 -8.511 1.00 0.00 C ATOM 514 C ARG A 33 14.020 13.582 -9.572 1.00 0.00 C ATOM 515 O ARG A 33 15.072 14.096 -9.951 1.00 0.00 O ATOM 516 CB ARG A 33 13.442 13.642 -7.139 1.00 0.00 C ATOM 517 CG ARG A 33 13.097 14.559 -5.977 1.00 0.00 C ATOM 518 CD ARG A 33 11.933 14.015 -5.164 1.00 0.00 C ATOM 519 NE ARG A 33 11.989 14.447 -3.770 1.00 0.00 N ATOM 520 CZ ARG A 33 10.937 14.453 -2.959 1.00 0.00 C ATOM 521 NH1 ARG A 33 9.753 14.051 -3.401 1.00 0.00 N ATOM 522 NH2 ARG A 33 11.068 14.861 -1.703 1.00 0.00 N ATOM 0 H ARG A 33 11.163 13.783 -8.075 1.00 0.00 H new ATOM 0 HA ARG A 33 13.407 15.318 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.876 12.716 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.498 13.378 -7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.969 14.676 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.846 15.550 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.994 14.346 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.939 12.926 -5.206 1.00 0.00 H new ATOM 0 HE ARG A 33 12.885 14.761 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.649 13.736 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.947 14.057 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.977 15.170 -1.359 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.259 14.865 -1.081 1.00 0.00 H new ATOM 536 N SER A 34 13.568 12.425 -10.047 1.00 0.00 N ATOM 537 CA SER A 34 14.301 11.677 -11.061 1.00 0.00 C ATOM 538 C SER A 34 13.363 10.764 -11.846 1.00 0.00 C ATOM 539 O SER A 34 12.154 10.753 -11.618 1.00 0.00 O ATOM 540 CB SER A 34 15.411 10.848 -10.411 1.00 0.00 C ATOM 541 OG SER A 34 15.267 10.820 -9.001 1.00 0.00 O ATOM 0 H SER A 34 12.698 11.986 -9.746 1.00 0.00 H new ATOM 0 HA SER A 34 14.748 12.392 -11.752 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.387 9.831 -10.803 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.383 11.267 -10.672 1.00 0.00 H new ATOM 0 HG SER A 34 15.987 10.283 -8.609 1.00 0.00 H new ATOM 547 N GLY A 35 13.931 10.000 -12.774 1.00 0.00 N ATOM 548 CA GLY A 35 13.132 9.095 -13.580 1.00 0.00 C ATOM 549 C GLY A 35 13.978 8.076 -14.318 1.00 0.00 C ATOM 550 O GLY A 35 15.036 8.409 -14.852 1.00 0.00 O ATOM 0 H GLY A 35 14.930 9.991 -12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.419 8.576 -12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.552 9.671 -14.301 1.00 0.00 H new ATOM 554 N GLU A 36 13.512 6.832 -14.348 1.00 0.00 N ATOM 555 CA GLU A 36 14.235 5.762 -15.024 1.00 0.00 C ATOM 556 C GLU A 36 13.284 4.897 -15.847 1.00 0.00 C ATOM 557 O GLU A 36 12.064 5.045 -15.764 1.00 0.00 O ATOM 558 CB GLU A 36 14.978 4.894 -14.006 1.00 0.00 C ATOM 559 CG GLU A 36 16.376 5.395 -13.685 1.00 0.00 C ATOM 560 CD GLU A 36 16.458 6.070 -12.329 1.00 0.00 C ATOM 561 OE1 GLU A 36 15.711 7.047 -12.108 1.00 0.00 O ATOM 562 OE2 GLU A 36 17.267 5.622 -11.490 1.00 0.00 O ATOM 0 H GLU A 36 12.637 6.540 -13.912 1.00 0.00 H new ATOM 0 HA GLU A 36 14.959 6.219 -15.698 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.396 4.850 -13.085 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.045 3.876 -14.389 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.073 4.557 -13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.692 6.098 -14.456 1.00 0.00 H new ATOM 569 N CYS A 37 13.851 3.995 -16.641 1.00 0.00 N ATOM 570 CA CYS A 37 13.055 3.106 -17.479 1.00 0.00 C ATOM 571 C CYS A 37 13.135 1.668 -16.977 1.00 0.00 C ATOM 572 O CYS A 37 14.197 1.200 -16.567 1.00 0.00 O ATOM 573 CB CYS A 37 13.533 3.178 -18.931 1.00 0.00 C ATOM 574 SG CYS A 37 12.982 4.668 -19.822 1.00 0.00 S ATOM 0 H CYS A 37 14.859 3.860 -16.722 1.00 0.00 H new ATOM 0 HA CYS A 37 12.016 3.432 -17.428 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.622 3.141 -18.946 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.177 2.296 -19.464 1.00 0.00 H new ATOM 579 N PHE A 38 12.003 0.971 -17.012 1.00 0.00 N ATOM 580 CA PHE A 38 11.944 -0.414 -16.559 1.00 0.00 C ATOM 581 C PHE A 38 11.659 -1.355 -17.726 1.00 0.00 C ATOM 582 O PHE A 38 11.190 -0.929 -18.781 1.00 0.00 O ATOM 583 CB PHE A 38 10.867 -0.576 -15.484 1.00 0.00 C ATOM 584 CG PHE A 38 11.349 -0.250 -14.100 1.00 0.00 C ATOM 585 CD1 PHE A 38 12.029 0.931 -13.848 1.00 0.00 C ATOM 586 CD2 PHE A 38 11.122 -1.124 -13.049 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.474 1.233 -12.575 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.565 -0.828 -11.774 1.00 0.00 C ATOM 589 CZ PHE A 38 12.241 0.353 -11.536 1.00 0.00 C ATOM 0 H PHE A 38 11.115 1.343 -17.349 1.00 0.00 H new ATOM 0 HA PHE A 38 12.914 -0.673 -16.134 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.022 0.068 -15.727 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.500 -1.602 -15.500 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.213 1.623 -14.656 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.592 -2.048 -13.229 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.004 2.156 -12.393 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.383 -1.519 -10.964 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.586 0.588 -10.540 1.00 0.00 H new ATOM 599 N TYR A 39 11.948 -2.637 -17.528 1.00 0.00 N ATOM 600 CA TYR A 39 11.726 -3.639 -18.563 1.00 0.00 C ATOM 601 C TYR A 39 10.477 -4.463 -18.265 1.00 0.00 C ATOM 602 O TYR A 39 10.537 -5.473 -17.564 1.00 0.00 O ATOM 603 CB TYR A 39 12.942 -4.560 -18.680 1.00 0.00 C ATOM 604 CG TYR A 39 13.684 -4.418 -19.990 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.004 -4.427 -21.201 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.066 -4.276 -20.015 1.00 0.00 C ATOM 607 CE1 TYR A 39 13.679 -4.299 -22.400 1.00 0.00 C ATOM 608 CE2 TYR A 39 15.749 -4.146 -21.209 1.00 0.00 C ATOM 609 CZ TYR A 39 15.051 -4.158 -22.399 1.00 0.00 C ATOM 610 OH TYR A 39 15.726 -4.029 -23.591 1.00 0.00 O ATOM 0 H TYR A 39 12.336 -3.006 -16.660 1.00 0.00 H new ATOM 0 HA TYR A 39 11.579 -3.120 -19.510 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.627 -4.349 -17.859 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.617 -5.594 -18.566 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.930 -4.536 -21.206 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.616 -4.267 -19.085 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.135 -4.309 -23.333 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.823 -4.036 -21.211 1.00 0.00 H new ATOM 0 HH TYR A 39 16.686 -3.938 -23.415 1.00 0.00 H new ATOM 620 N LYS A 40 9.344 -4.024 -18.804 1.00 0.00 N ATOM 621 CA LYS A 40 8.079 -4.720 -18.599 1.00 0.00 C ATOM 622 C LYS A 40 7.799 -5.687 -19.745 1.00 0.00 C ATOM 623 O LYS A 40 8.533 -5.723 -20.732 1.00 0.00 O ATOM 624 CB LYS A 40 6.934 -3.713 -18.476 1.00 0.00 C ATOM 625 CG LYS A 40 6.379 -3.592 -17.067 1.00 0.00 C ATOM 626 CD LYS A 40 5.010 -4.241 -16.950 1.00 0.00 C ATOM 627 CE LYS A 40 5.112 -5.670 -16.440 1.00 0.00 C ATOM 628 NZ LYS A 40 4.833 -5.759 -14.980 1.00 0.00 N ATOM 0 H LYS A 40 9.276 -3.189 -19.386 1.00 0.00 H new ATOM 0 HA LYS A 40 8.153 -5.292 -17.674 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.285 -2.735 -18.805 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.129 -4.006 -19.150 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.066 -4.061 -16.363 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.309 -2.540 -16.792 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.386 -3.656 -16.274 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.519 -4.235 -17.923 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.408 -6.301 -16.983 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.110 -6.058 -16.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.913 -6.749 -14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.520 -5.177 -14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.871 -5.413 -14.789 1.00 0.00 H new ATOM 642 N GLU A 41 6.731 -6.467 -19.607 1.00 0.00 N ATOM 643 CA GLU A 41 6.354 -7.433 -20.632 1.00 0.00 C ATOM 644 C GLU A 41 7.550 -8.290 -21.038 1.00 0.00 C ATOM 645 O GLU A 41 8.561 -8.339 -20.336 1.00 0.00 O ATOM 646 CB GLU A 41 5.788 -6.715 -21.859 1.00 0.00 C ATOM 647 CG GLU A 41 4.543 -7.373 -22.429 1.00 0.00 C ATOM 648 CD GLU A 41 4.605 -7.531 -23.936 1.00 0.00 C ATOM 649 OE1 GLU A 41 5.189 -8.530 -24.405 1.00 0.00 O ATOM 650 OE2 GLU A 41 4.068 -6.655 -24.646 1.00 0.00 O ATOM 0 H GLU A 41 6.112 -6.449 -18.796 1.00 0.00 H new ATOM 0 HA GLU A 41 5.586 -8.085 -20.215 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.554 -5.685 -21.591 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.555 -6.676 -22.633 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.412 -8.353 -21.970 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.669 -6.778 -22.165 1.00 0.00 H new ATOM 657 N LYS A 42 7.428 -8.965 -22.176 1.00 0.00 N ATOM 658 CA LYS A 42 8.497 -9.819 -22.678 1.00 0.00 C ATOM 659 C LYS A 42 9.582 -8.991 -23.359 1.00 0.00 C ATOM 660 O LYS A 42 10.772 -9.189 -23.116 1.00 0.00 O ATOM 661 CB LYS A 42 7.936 -10.850 -23.661 1.00 0.00 C ATOM 662 CG LYS A 42 7.434 -12.118 -22.992 1.00 0.00 C ATOM 663 CD LYS A 42 8.571 -12.899 -22.353 1.00 0.00 C ATOM 664 CE LYS A 42 8.300 -14.395 -22.375 1.00 0.00 C ATOM 665 NZ LYS A 42 9.200 -15.135 -21.448 1.00 0.00 N ATOM 0 H LYS A 42 6.598 -8.937 -22.768 1.00 0.00 H new ATOM 0 HA LYS A 42 8.941 -10.339 -21.829 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.119 -10.397 -24.222 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.711 -11.112 -24.382 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.695 -11.862 -22.232 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.930 -12.744 -23.728 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.501 -12.689 -22.882 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.708 -12.568 -21.324 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.262 -14.580 -22.098 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.432 -14.773 -23.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.984 -16.151 -21.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.190 -14.979 -21.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.056 -14.792 -20.477 1.00 0.00 H new ATOM 679 N ARG A 43 9.163 -8.061 -24.212 1.00 0.00 N ATOM 680 CA ARG A 43 10.099 -7.203 -24.927 1.00 0.00 C ATOM 681 C ARG A 43 9.769 -5.730 -24.700 1.00 0.00 C ATOM 682 O ARG A 43 10.662 -4.886 -24.640 1.00 0.00 O ATOM 683 CB ARG A 43 10.071 -7.517 -26.424 1.00 0.00 C ATOM 684 CG ARG A 43 10.461 -8.949 -26.753 1.00 0.00 C ATOM 685 CD ARG A 43 11.966 -9.093 -26.915 1.00 0.00 C ATOM 686 NE ARG A 43 12.525 -10.079 -25.994 1.00 0.00 N ATOM 687 CZ ARG A 43 13.821 -10.359 -25.914 1.00 0.00 C ATOM 688 NH1 ARG A 43 14.688 -9.730 -26.695 1.00 0.00 N ATOM 689 NH2 ARG A 43 14.252 -11.269 -25.050 1.00 0.00 N ATOM 0 H ARG A 43 8.181 -7.883 -24.424 1.00 0.00 H new ATOM 0 HA ARG A 43 11.099 -7.398 -24.540 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.069 -7.325 -26.808 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.747 -6.837 -26.942 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.114 -9.613 -25.961 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.964 -9.261 -27.671 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.194 -9.385 -27.940 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.443 -8.128 -26.745 1.00 0.00 H new ATOM 0 HE ARG A 43 11.885 -10.580 -25.378 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.361 -9.029 -27.360 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.683 -9.947 -26.631 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.588 -11.754 -24.447 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.247 -11.483 -24.989 1.00 0.00 H new ATOM 703 N ASN A 44 8.480 -5.431 -24.575 1.00 0.00 N ATOM 704 CA ASN A 44 8.032 -4.060 -24.355 1.00 0.00 C ATOM 705 C ASN A 44 8.820 -3.404 -23.226 1.00 0.00 C ATOM 706 O ASN A 44 9.479 -4.084 -22.437 1.00 0.00 O ATOM 707 CB ASN A 44 6.537 -4.037 -24.029 1.00 0.00 C ATOM 708 CG ASN A 44 5.945 -2.644 -24.134 1.00 0.00 C ATOM 709 OD1 ASN A 44 6.274 -1.884 -25.044 1.00 0.00 O ATOM 710 ND2 ASN A 44 5.066 -2.304 -23.198 1.00 0.00 N ATOM 0 H ASN A 44 7.728 -6.118 -24.622 1.00 0.00 H new ATOM 0 HA ASN A 44 8.207 -3.496 -25.271 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.009 -4.706 -24.709 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.382 -4.420 -23.020 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.634 -1.380 -23.215 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.823 -2.967 -22.462 1.00 0.00 H new ATOM 717 N LEU A 45 8.749 -2.080 -23.153 1.00 0.00 N ATOM 718 CA LEU A 45 9.455 -1.331 -22.120 1.00 0.00 C ATOM 719 C LEU A 45 8.552 -0.267 -21.504 1.00 0.00 C ATOM 720 O LEU A 45 7.589 0.178 -22.128 1.00 0.00 O ATOM 721 CB LEU A 45 10.709 -0.676 -22.704 1.00 0.00 C ATOM 722 CG LEU A 45 11.861 -0.443 -21.726 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.199 -0.574 -22.438 1.00 0.00 C ATOM 724 CD2 LEU A 45 11.736 0.924 -21.070 1.00 0.00 C ATOM 0 H LEU A 45 8.209 -1.502 -23.797 1.00 0.00 H new ATOM 0 HA LEU A 45 9.748 -2.030 -21.336 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.073 -1.299 -23.521 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.426 0.284 -23.136 1.00 0.00 H new ATOM 0 HG LEU A 45 11.810 -1.203 -20.947 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.008 -0.405 -21.727 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.290 -1.575 -22.860 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.259 0.164 -23.238 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.564 1.072 -20.377 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.761 1.699 -21.836 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.793 0.982 -20.526 1.00 0.00 H new ATOM 736 N GLN A 46 8.871 0.136 -20.279 1.00 0.00 N ATOM 737 CA GLN A 46 8.088 1.149 -19.580 1.00 0.00 C ATOM 738 C GLN A 46 8.996 2.198 -18.948 1.00 0.00 C ATOM 739 O GLN A 46 10.199 1.982 -18.794 1.00 0.00 O ATOM 740 CB GLN A 46 7.215 0.498 -18.506 1.00 0.00 C ATOM 741 CG GLN A 46 5.771 0.295 -18.936 1.00 0.00 C ATOM 742 CD GLN A 46 5.011 -0.633 -18.009 1.00 0.00 C ATOM 743 OE1 GLN A 46 4.607 -1.728 -18.403 1.00 0.00 O ATOM 744 NE2 GLN A 46 4.813 -0.201 -16.769 1.00 0.00 N ATOM 0 H GLN A 46 9.666 -0.223 -19.750 1.00 0.00 H new ATOM 0 HA GLN A 46 7.446 1.643 -20.309 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.644 -0.467 -18.237 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.235 1.117 -17.609 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.267 1.261 -18.970 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.751 -0.111 -19.947 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.165 0.713 -16.485 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.309 -0.783 -16.100 1.00 0.00 H new ATOM 753 N CYS A 47 8.413 3.335 -18.583 1.00 0.00 N ATOM 754 CA CYS A 47 9.169 4.419 -17.967 1.00 0.00 C ATOM 755 C CYS A 47 8.577 4.794 -16.612 1.00 0.00 C ATOM 756 O CYS A 47 7.425 5.219 -16.522 1.00 0.00 O ATOM 757 CB CYS A 47 9.185 5.643 -18.885 1.00 0.00 C ATOM 758 SG CYS A 47 10.851 6.153 -19.417 1.00 0.00 S ATOM 0 H CYS A 47 7.419 3.530 -18.703 1.00 0.00 H new ATOM 0 HA CYS A 47 10.192 4.074 -17.814 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.583 5.429 -19.768 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.709 6.477 -18.369 1.00 0.00 H new ATOM 763 N ILE A 48 9.373 4.633 -15.560 1.00 0.00 N ATOM 764 CA ILE A 48 8.929 4.955 -14.210 1.00 0.00 C ATOM 765 C ILE A 48 9.643 6.193 -13.677 1.00 0.00 C ATOM 766 O ILE A 48 10.827 6.402 -13.941 1.00 0.00 O ATOM 767 CB ILE A 48 9.169 3.781 -13.243 1.00 0.00 C ATOM 768 CG1 ILE A 48 8.626 2.481 -13.840 1.00 0.00 C ATOM 769 CG2 ILE A 48 8.520 4.063 -11.896 1.00 0.00 C ATOM 770 CD1 ILE A 48 8.601 1.330 -12.859 1.00 0.00 C ATOM 0 H ILE A 48 10.329 4.281 -15.617 1.00 0.00 H new ATOM 0 HA ILE A 48 7.859 5.153 -14.269 1.00 0.00 H new ATOM 0 HB ILE A 48 10.242 3.669 -13.091 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.615 2.655 -14.210 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.236 2.202 -14.699 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.698 3.224 -11.223 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.949 4.969 -11.468 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.447 4.198 -12.030 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.205 0.442 -13.351 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.613 1.129 -12.508 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.967 1.589 -12.011 1.00 0.00 H new ATOM 782 N CYS A 49 8.916 7.010 -12.923 1.00 0.00 N ATOM 783 CA CYS A 49 9.479 8.227 -12.350 1.00 0.00 C ATOM 784 C CYS A 49 10.031 7.965 -10.952 1.00 0.00 C ATOM 785 O CYS A 49 9.944 6.849 -10.438 1.00 0.00 O ATOM 786 CB CYS A 49 8.417 9.327 -12.293 1.00 0.00 C ATOM 787 SG CYS A 49 8.268 10.296 -13.829 1.00 0.00 S ATOM 0 H CYS A 49 7.935 6.851 -12.694 1.00 0.00 H new ATOM 0 HA CYS A 49 10.299 8.555 -12.990 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.452 8.874 -12.067 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.653 10.003 -11.471 1.00 0.00 H new ATOM 792 N ASP A 50 10.597 9.000 -10.342 1.00 0.00 N ATOM 793 CA ASP A 50 11.162 8.883 -9.003 1.00 0.00 C ATOM 794 C ASP A 50 10.830 10.113 -8.164 1.00 0.00 C ATOM 795 O ASP A 50 10.874 11.242 -8.654 1.00 0.00 O ATOM 796 CB ASP A 50 12.679 8.698 -9.080 1.00 0.00 C ATOM 797 CG ASP A 50 13.249 8.063 -7.827 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.963 8.571 -6.722 1.00 0.00 O ATOM 799 OD2 ASP A 50 13.980 7.059 -7.951 1.00 0.00 O ATOM 0 H ASP A 50 10.677 9.930 -10.754 1.00 0.00 H new ATOM 0 HA ASP A 50 10.721 8.008 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.923 8.077 -9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.153 9.667 -9.241 1.00 0.00 H new ATOM 804 N TYR A 51 10.498 9.887 -6.898 1.00 0.00 N ATOM 805 CA TYR A 51 10.155 10.976 -5.991 1.00 0.00 C ATOM 806 C TYR A 51 10.851 10.804 -4.645 1.00 0.00 C ATOM 807 O TYR A 51 10.383 11.305 -3.622 1.00 0.00 O ATOM 808 CB TYR A 51 8.640 11.043 -5.790 1.00 0.00 C ATOM 809 CG TYR A 51 7.891 11.568 -6.995 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.809 12.932 -7.245 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.266 10.700 -7.881 1.00 0.00 C ATOM 812 CE1 TYR A 51 7.126 13.416 -8.344 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.582 11.175 -8.983 1.00 0.00 C ATOM 814 CZ TYR A 51 6.514 12.534 -9.210 1.00 0.00 C ATOM 815 OH TYR A 51 5.833 13.012 -10.306 1.00 0.00 O ATOM 0 H TYR A 51 10.459 8.959 -6.476 1.00 0.00 H new ATOM 0 HA TYR A 51 10.497 11.909 -6.439 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.270 10.047 -5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.424 11.680 -4.932 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.287 13.626 -6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.316 9.636 -7.705 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.072 14.479 -8.524 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.103 10.486 -9.663 1.00 0.00 H new ATOM 0 HH TYR A 51 6.146 13.916 -10.517 1.00 0.00 H new