USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 395 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 22 ASN : amide:sc= -0.404 K(o=-3,f=-4.5!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.58 X(o=-3,f=-2.9) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 11 TYR OH : rot 113:sc= -1.24 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.56 K(o=-1.6,f=-3!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.13) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0.7 (180deg=0.192!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.2) USER MOD Single : A 36 SER OG : rot -64:sc= 0.437 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0472 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.93 K(o=-0.93,f=-1.7) USER MOD Single : A 48 GLN : amide:sc= -4.93! C(o=-4.9!,f=-9.1!) USER MOD Single : A 53 TYR OH : rot -122:sc= 0.442 USER MOD ----------------------------------------------------------------- ATOM 52 N CYS A 4 7.496 -2.836 -1.892 1.00 0.00 N ATOM 53 CA CYS A 4 8.222 -3.887 -2.595 1.00 0.00 C ATOM 54 C CYS A 4 8.945 -3.325 -3.816 1.00 0.00 C ATOM 55 O CYS A 4 8.389 -2.524 -4.567 1.00 0.00 O ATOM 56 CB CYS A 4 7.264 -5.000 -3.023 1.00 0.00 C ATOM 57 SG CYS A 4 5.664 -4.400 -3.657 1.00 0.00 S ATOM 0 HA CYS A 4 8.965 -4.300 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.745 -5.603 -3.793 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.083 -5.656 -2.172 1.00 0.00 H new ATOM 62 N LYS A 5 10.189 -3.752 -4.008 1.00 0.00 N ATOM 63 CA LYS A 5 10.989 -3.294 -5.138 1.00 0.00 C ATOM 64 C LYS A 5 12.240 -4.151 -5.301 1.00 0.00 C ATOM 65 O LYS A 5 12.547 -4.989 -4.452 1.00 0.00 O ATOM 66 CB LYS A 5 11.384 -1.828 -4.949 1.00 0.00 C ATOM 67 CG LYS A 5 12.471 -1.619 -3.909 1.00 0.00 C ATOM 68 CD LYS A 5 11.982 -0.760 -2.755 1.00 0.00 C ATOM 69 CE LYS A 5 13.044 0.236 -2.313 1.00 0.00 C ATOM 70 NZ LYS A 5 13.262 0.196 -0.841 1.00 0.00 N ATOM 0 H LYS A 5 10.665 -4.415 -3.396 1.00 0.00 H new ATOM 0 HA LYS A 5 10.385 -3.388 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.724 -1.426 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.502 -1.257 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.803 -2.585 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.335 -1.146 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.081 -0.224 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.708 -1.399 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.981 0.019 -2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.745 1.241 -2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.992 0.889 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.374 0.428 -0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.572 -0.757 -0.562 1.00 0.00 H new ATOM 84 N LYS A 6 12.961 -3.935 -6.396 1.00 0.00 N ATOM 85 CA LYS A 6 14.181 -4.686 -6.670 1.00 0.00 C ATOM 86 C LYS A 6 15.194 -3.823 -7.416 1.00 0.00 C ATOM 87 O LYS A 6 14.976 -3.449 -8.568 1.00 0.00 O ATOM 88 CB LYS A 6 13.861 -5.939 -7.488 1.00 0.00 C ATOM 89 CG LYS A 6 13.134 -7.012 -6.697 1.00 0.00 C ATOM 90 CD LYS A 6 13.085 -8.328 -7.456 1.00 0.00 C ATOM 91 CE LYS A 6 14.458 -8.979 -7.532 1.00 0.00 C ATOM 92 NZ LYS A 6 14.439 -10.374 -7.012 1.00 0.00 N ATOM 0 H LYS A 6 12.722 -3.246 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 6 14.616 -4.985 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.252 -5.657 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.790 -6.354 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.634 -7.161 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.119 -6.679 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.386 -9.006 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.707 -8.154 -8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.802 -8.981 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.173 -8.388 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.393 -10.783 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.135 -10.370 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.776 -10.945 -7.574 1.00 0.00 H new ATOM 106 N VAL A 7 16.303 -3.513 -6.752 1.00 0.00 N ATOM 107 CA VAL A 7 17.351 -2.697 -7.354 1.00 0.00 C ATOM 108 C VAL A 7 18.127 -3.486 -8.403 1.00 0.00 C ATOM 109 O VAL A 7 18.378 -4.680 -8.237 1.00 0.00 O ATOM 110 CB VAL A 7 18.335 -2.173 -6.290 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.170 -3.313 -5.727 1.00 0.00 C ATOM 112 CG2 VAL A 7 19.225 -1.088 -6.877 1.00 0.00 C ATOM 0 H VAL A 7 16.499 -3.814 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 7 16.858 -1.850 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 7 17.761 -1.737 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.859 -2.924 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.514 -4.052 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.737 -3.781 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.914 -0.729 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.792 -1.496 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.608 -0.260 -7.226 1.00 0.00 H new ATOM 122 N TYR A 8 18.506 -2.810 -9.482 1.00 0.00 N ATOM 123 CA TYR A 8 19.252 -3.448 -10.560 1.00 0.00 C ATOM 124 C TYR A 8 20.662 -2.874 -10.660 1.00 0.00 C ATOM 125 O TYR A 8 20.907 -1.930 -11.411 1.00 0.00 O ATOM 126 CB TYR A 8 18.520 -3.268 -11.891 1.00 0.00 C ATOM 127 CG TYR A 8 18.955 -4.247 -12.958 1.00 0.00 C ATOM 128 CD1 TYR A 8 19.153 -5.589 -12.658 1.00 0.00 C ATOM 129 CD2 TYR A 8 19.170 -3.830 -14.266 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.551 -6.487 -13.630 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.566 -4.721 -15.244 1.00 0.00 C ATOM 132 CZ TYR A 8 19.756 -6.048 -14.921 1.00 0.00 C ATOM 133 OH TYR A 8 20.153 -6.939 -15.892 1.00 0.00 O ATOM 0 H TYR A 8 18.309 -1.821 -9.633 1.00 0.00 H new ATOM 0 HA TYR A 8 19.327 -4.512 -10.336 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.448 -3.377 -11.724 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.684 -2.253 -12.252 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.993 -5.936 -11.648 1.00 0.00 H new ATOM 0 HD2 TYR A 8 19.025 -2.791 -14.522 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.701 -7.527 -13.380 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.726 -4.380 -16.256 1.00 0.00 H new ATOM 0 HH TYR A 8 20.252 -6.469 -16.746 1.00 0.00 H new ATOM 143 N GLU A 9 21.585 -3.452 -9.898 1.00 0.00 N ATOM 144 CA GLU A 9 22.971 -2.997 -9.901 1.00 0.00 C ATOM 145 C GLU A 9 23.586 -3.137 -11.291 1.00 0.00 C ATOM 146 O GLU A 9 24.615 -2.532 -11.589 1.00 0.00 O ATOM 147 CB GLU A 9 23.794 -3.792 -8.885 1.00 0.00 C ATOM 148 CG GLU A 9 23.153 -3.868 -7.509 1.00 0.00 C ATOM 149 CD GLU A 9 22.927 -2.500 -6.895 1.00 0.00 C ATOM 150 OE1 GLU A 9 23.483 -1.514 -7.421 1.00 0.00 O ATOM 151 OE2 GLU A 9 22.192 -2.417 -5.888 1.00 0.00 O ATOM 0 H GLU A 9 21.399 -4.235 -9.271 1.00 0.00 H new ATOM 0 HA GLU A 9 22.982 -1.943 -9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.944 -4.803 -9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.780 -3.337 -8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.199 -4.390 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 9 23.788 -4.458 -6.848 1.00 0.00 H new ATOM 158 N ASN A 10 22.948 -3.940 -12.136 1.00 0.00 N ATOM 159 CA ASN A 10 23.433 -4.160 -13.494 1.00 0.00 C ATOM 160 C ASN A 10 22.819 -3.152 -14.461 1.00 0.00 C ATOM 161 O ASN A 10 22.320 -3.521 -15.524 1.00 0.00 O ATOM 162 CB ASN A 10 23.107 -5.584 -13.949 1.00 0.00 C ATOM 163 CG ASN A 10 24.090 -6.604 -13.407 1.00 0.00 C ATOM 164 OD1 ASN A 10 24.352 -6.541 -12.107 1.00 0.00 O flip ATOM 165 ND2 ASN A 10 24.608 -7.438 -14.150 1.00 0.00 N flip ATOM 0 H ASN A 10 22.095 -4.449 -11.905 1.00 0.00 H new ATOM 0 HA ASN A 10 24.514 -4.024 -13.494 1.00 0.00 H new ATOM 0 HB2 ASN A 10 22.100 -5.845 -13.623 1.00 0.00 H new ATOM 0 HB3 ASN A 10 23.110 -5.624 -15.038 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.377 -7.449 -15.143 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.268 -8.118 -13.772 1.00 0.00 H new ATOM 172 N TYR A 11 22.861 -1.879 -14.085 1.00 0.00 N ATOM 173 CA TYR A 11 22.308 -0.818 -14.917 1.00 0.00 C ATOM 174 C TYR A 11 23.078 0.485 -14.722 1.00 0.00 C ATOM 175 O TYR A 11 23.475 0.841 -13.612 1.00 0.00 O ATOM 176 CB TYR A 11 20.829 -0.603 -14.591 1.00 0.00 C ATOM 177 CG TYR A 11 19.965 -0.385 -15.813 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.660 -1.437 -16.669 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.454 0.872 -16.112 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.872 -1.243 -17.786 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.664 1.075 -17.226 1.00 0.00 C ATOM 182 CZ TYR A 11 18.375 0.015 -18.060 1.00 0.00 C ATOM 183 OH TYR A 11 17.590 0.213 -19.172 1.00 0.00 O ATOM 0 H TYR A 11 23.272 -1.557 -13.209 1.00 0.00 H new ATOM 0 HA TYR A 11 22.403 -1.122 -15.959 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.457 -1.469 -14.043 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.733 0.258 -13.930 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.046 -2.423 -16.457 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.679 1.705 -15.462 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.646 -2.071 -18.442 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.274 2.059 -17.443 1.00 0.00 H new ATOM 0 HH TYR A 11 16.677 0.433 -18.893 1.00 0.00 H new ATOM 193 N PRO A 12 23.294 1.215 -15.826 1.00 0.00 N ATOM 194 CA PRO A 12 24.016 2.490 -15.804 1.00 0.00 C ATOM 195 C PRO A 12 23.223 3.593 -15.112 1.00 0.00 C ATOM 196 O PRO A 12 22.066 3.845 -15.449 1.00 0.00 O ATOM 197 CB PRO A 12 24.204 2.818 -17.287 1.00 0.00 C ATOM 198 CG PRO A 12 23.092 2.105 -17.977 1.00 0.00 C ATOM 199 CD PRO A 12 22.849 0.851 -17.182 1.00 0.00 C ATOM 0 HA PRO A 12 24.950 2.419 -15.247 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.155 3.892 -17.464 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.175 2.479 -17.647 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.195 2.724 -18.014 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.359 1.869 -19.007 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.798 0.564 -17.196 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.415 0.008 -17.578 1.00 0.00 H new ATOM 207 N VAL A 13 23.852 4.249 -14.142 1.00 0.00 N ATOM 208 CA VAL A 13 23.206 5.327 -13.403 1.00 0.00 C ATOM 209 C VAL A 13 22.940 6.528 -14.303 1.00 0.00 C ATOM 210 O VAL A 13 22.120 7.388 -13.982 1.00 0.00 O ATOM 211 CB VAL A 13 24.061 5.777 -12.204 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.533 4.574 -11.402 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.243 6.610 -12.676 1.00 0.00 C ATOM 0 H VAL A 13 24.809 4.052 -13.850 1.00 0.00 H new ATOM 0 HA VAL A 13 22.258 4.935 -13.036 1.00 0.00 H new ATOM 0 HB VAL A 13 23.445 6.397 -11.553 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.136 4.912 -10.559 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.669 4.022 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.133 3.925 -12.039 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.837 6.920 -11.816 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.861 6.016 -13.349 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.879 7.492 -13.202 1.00 0.00 H new ATOM 223 N SER A 14 23.638 6.580 -15.433 1.00 0.00 N ATOM 224 CA SER A 14 23.480 7.678 -16.379 1.00 0.00 C ATOM 225 C SER A 14 22.095 7.649 -17.019 1.00 0.00 C ATOM 226 O SER A 14 21.360 8.636 -16.981 1.00 0.00 O ATOM 227 CB SER A 14 24.557 7.603 -17.464 1.00 0.00 C ATOM 228 OG SER A 14 25.381 8.755 -17.444 1.00 0.00 O ATOM 0 H SER A 14 24.318 5.874 -15.716 1.00 0.00 H new ATOM 0 HA SER A 14 23.589 8.615 -15.832 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.168 6.713 -17.314 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.086 7.506 -18.442 1.00 0.00 H new ATOM 0 HG SER A 14 26.062 8.682 -18.145 1.00 0.00 H new ATOM 234 N LYS A 15 21.745 6.509 -17.606 1.00 0.00 N ATOM 235 CA LYS A 15 20.449 6.348 -18.253 1.00 0.00 C ATOM 236 C LYS A 15 19.313 6.591 -17.264 1.00 0.00 C ATOM 237 O LYS A 15 18.190 6.908 -17.658 1.00 0.00 O ATOM 238 CB LYS A 15 20.326 4.945 -18.852 1.00 0.00 C ATOM 239 CG LYS A 15 20.522 4.908 -20.358 1.00 0.00 C ATOM 240 CD LYS A 15 19.950 3.637 -20.963 1.00 0.00 C ATOM 241 CE LYS A 15 21.035 2.793 -21.615 1.00 0.00 C ATOM 242 NZ LYS A 15 20.512 2.019 -22.775 1.00 0.00 N ATOM 0 H LYS A 15 22.342 5.683 -17.647 1.00 0.00 H new ATOM 0 HA LYS A 15 20.376 7.086 -19.052 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.062 4.292 -18.382 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.342 4.541 -18.612 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.041 5.776 -20.810 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.585 4.976 -20.589 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.452 3.055 -20.187 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.193 3.894 -21.704 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.848 3.439 -21.946 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.453 2.106 -20.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.281 1.457 -23.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.753 1.384 -22.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.136 2.675 -23.489 1.00 0.00 H new ATOM 256 N CYS A 16 19.612 6.443 -15.978 1.00 0.00 N ATOM 257 CA CYS A 16 18.617 6.647 -14.932 1.00 0.00 C ATOM 258 C CYS A 16 18.289 8.129 -14.776 1.00 0.00 C ATOM 259 O CYS A 16 17.123 8.523 -14.810 1.00 0.00 O ATOM 260 CB CYS A 16 19.121 6.083 -13.602 1.00 0.00 C ATOM 261 SG CYS A 16 18.681 4.338 -13.321 1.00 0.00 S ATOM 0 H CYS A 16 20.536 6.182 -15.635 1.00 0.00 H new ATOM 0 HA CYS A 16 17.708 6.119 -15.222 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.206 6.184 -13.564 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.717 6.684 -12.788 1.00 0.00 H new ATOM 266 N GLN A 17 19.324 8.945 -14.606 1.00 0.00 N ATOM 267 CA GLN A 17 19.145 10.383 -14.444 1.00 0.00 C ATOM 268 C GLN A 17 18.499 10.993 -15.683 1.00 0.00 C ATOM 269 O GLN A 17 17.974 12.107 -15.638 1.00 0.00 O ATOM 270 CB GLN A 17 20.490 11.058 -14.171 1.00 0.00 C ATOM 271 CG GLN A 17 21.087 10.700 -12.820 1.00 0.00 C ATOM 272 CD GLN A 17 22.406 9.963 -12.941 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.141 10.138 -13.913 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.714 9.133 -11.951 1.00 0.00 N ATOM 0 H GLN A 17 20.295 8.635 -14.577 1.00 0.00 H new ATOM 0 HA GLN A 17 18.484 10.548 -13.593 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.193 10.778 -14.955 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.363 12.139 -14.228 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.236 11.611 -12.240 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.380 10.082 -12.267 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.075 9.018 -11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.589 8.610 -11.978 1.00 0.00 H new ATOM 283 N LEU A 18 18.540 10.258 -16.789 1.00 0.00 N ATOM 284 CA LEU A 18 17.958 10.727 -18.042 1.00 0.00 C ATOM 285 C LEU A 18 16.435 10.744 -17.963 1.00 0.00 C ATOM 286 O LEU A 18 15.771 9.805 -18.400 1.00 0.00 O ATOM 287 CB LEU A 18 18.410 9.838 -19.202 1.00 0.00 C ATOM 288 CG LEU A 18 19.636 10.319 -19.979 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.355 9.144 -20.622 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.232 11.341 -21.032 1.00 0.00 C ATOM 0 H LEU A 18 18.970 9.335 -16.844 1.00 0.00 H new ATOM 0 HA LEU A 18 18.306 11.745 -18.216 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.621 8.843 -18.810 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.579 9.736 -19.900 1.00 0.00 H new ATOM 0 HG LEU A 18 20.321 10.799 -19.280 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.225 9.506 -21.171 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.678 8.447 -19.848 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.679 8.635 -21.309 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.117 11.673 -21.575 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.527 10.887 -21.729 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.762 12.197 -20.547 1.00 0.00 H new ATOM 302 N ARG A 19 15.889 11.819 -17.403 1.00 0.00 N ATOM 303 CA ARG A 19 14.444 11.959 -17.267 1.00 0.00 C ATOM 304 C ARG A 19 13.764 11.928 -18.633 1.00 0.00 C ATOM 305 O ARG A 19 12.560 11.692 -18.733 1.00 0.00 O ATOM 306 CB ARG A 19 14.102 13.263 -16.545 1.00 0.00 C ATOM 307 CG ARG A 19 13.768 13.074 -15.074 1.00 0.00 C ATOM 308 CD ARG A 19 12.436 13.715 -14.719 1.00 0.00 C ATOM 309 NE ARG A 19 12.601 15.068 -14.194 1.00 0.00 N ATOM 310 CZ ARG A 19 11.587 15.849 -13.841 1.00 0.00 C ATOM 311 NH1 ARG A 19 10.340 15.414 -13.956 1.00 0.00 N ATOM 312 NH2 ARG A 19 11.818 17.069 -13.372 1.00 0.00 N ATOM 0 H ARG A 19 16.425 12.605 -17.036 1.00 0.00 H new ATOM 0 HA ARG A 19 14.077 11.119 -16.678 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.945 13.949 -16.633 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.255 13.734 -17.044 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.734 12.010 -14.841 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.557 13.510 -14.462 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.801 13.745 -15.604 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.923 13.100 -13.980 1.00 0.00 H new ATOM 0 HE ARG A 19 13.548 15.433 -14.093 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.158 14.477 -14.316 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.563 16.016 -13.684 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.776 17.408 -13.282 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.038 17.668 -13.101 1.00 0.00 H new ATOM 326 N ILE A 20 14.544 12.168 -19.682 1.00 0.00 N ATOM 327 CA ILE A 20 14.017 12.168 -21.041 1.00 0.00 C ATOM 328 C ILE A 20 13.948 10.752 -21.603 1.00 0.00 C ATOM 329 O ILE A 20 12.882 10.283 -22.000 1.00 0.00 O ATOM 330 CB ILE A 20 14.876 13.038 -21.978 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.227 14.364 -21.299 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.144 13.286 -23.288 1.00 0.00 C ATOM 333 CD1 ILE A 20 14.024 15.239 -21.024 1.00 0.00 C ATOM 0 H ILE A 20 15.543 12.365 -19.617 1.00 0.00 H new ATOM 0 HA ILE A 20 13.012 12.586 -20.990 1.00 0.00 H new ATOM 0 HB ILE A 20 15.802 12.506 -22.196 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.738 14.157 -20.359 1.00 0.00 H new ATOM 0 HG13 ILE A 20 15.928 14.911 -21.929 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.763 13.902 -23.940 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.939 12.333 -23.776 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.204 13.801 -23.088 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.348 16.162 -20.542 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.524 15.476 -21.963 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.332 14.711 -20.368 1.00 0.00 H new ATOM 345 N ALA A 21 15.091 10.076 -21.631 1.00 0.00 N ATOM 346 CA ALA A 21 15.160 8.712 -22.140 1.00 0.00 C ATOM 347 C ALA A 21 15.449 7.720 -21.018 1.00 0.00 C ATOM 348 O ALA A 21 16.496 7.074 -21.003 1.00 0.00 O ATOM 349 CB ALA A 21 16.220 8.606 -23.227 1.00 0.00 C ATOM 0 H ALA A 21 15.983 10.451 -21.307 1.00 0.00 H new ATOM 0 HA ALA A 21 14.190 8.462 -22.569 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.260 7.582 -23.598 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.969 9.279 -24.047 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.191 8.881 -22.816 1.00 0.00 H new ATOM 355 N ASN A 22 14.515 7.606 -20.080 1.00 0.00 N ATOM 356 CA ASN A 22 14.671 6.694 -18.953 1.00 0.00 C ATOM 357 C ASN A 22 14.439 5.250 -19.386 1.00 0.00 C ATOM 358 O ASN A 22 13.328 4.731 -19.281 1.00 0.00 O ATOM 359 CB ASN A 22 13.697 7.065 -17.832 1.00 0.00 C ATOM 360 CG ASN A 22 14.259 6.763 -16.456 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.463 6.873 -16.226 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.385 6.379 -15.532 1.00 0.00 N ATOM 0 H ASN A 22 13.642 8.134 -20.078 1.00 0.00 H new ATOM 0 HA ASN A 22 15.692 6.784 -18.583 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.457 8.126 -17.899 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.764 6.518 -17.969 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.704 6.162 -14.588 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.395 6.301 -15.767 1.00 0.00 H new ATOM 369 N GLN A 23 15.496 4.607 -19.871 1.00 0.00 N ATOM 370 CA GLN A 23 15.408 3.222 -20.320 1.00 0.00 C ATOM 371 C GLN A 23 15.316 2.270 -19.132 1.00 0.00 C ATOM 372 O GLN A 23 15.144 1.063 -19.303 1.00 0.00 O ATOM 373 CB GLN A 23 16.619 2.865 -21.183 1.00 0.00 C ATOM 374 CG GLN A 23 16.261 2.512 -22.618 1.00 0.00 C ATOM 375 CD GLN A 23 15.824 1.069 -22.772 1.00 0.00 C ATOM 376 OE1 GLN A 23 16.546 0.146 -22.392 1.00 0.00 O ATOM 377 NE2 GLN A 23 14.638 0.865 -23.332 1.00 0.00 N ATOM 0 H GLN A 23 16.423 5.022 -19.963 1.00 0.00 H new ATOM 0 HA GLN A 23 14.502 3.117 -20.917 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.313 3.706 -21.187 1.00 0.00 H new ATOM 0 HB3 GLN A 23 17.142 2.023 -20.730 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.461 3.168 -22.961 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.123 2.697 -23.260 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.072 1.659 -23.632 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.292 -0.086 -23.462 1.00 0.00 H new ATOM 386 N CYS A 24 15.434 2.820 -17.929 1.00 0.00 N ATOM 387 CA CYS A 24 15.366 2.021 -16.712 1.00 0.00 C ATOM 388 C CYS A 24 13.975 1.418 -16.534 1.00 0.00 C ATOM 389 O CYS A 24 13.814 0.199 -16.514 1.00 0.00 O ATOM 390 CB CYS A 24 15.723 2.876 -15.494 1.00 0.00 C ATOM 391 SG CYS A 24 15.293 2.111 -13.897 1.00 0.00 S ATOM 0 H CYS A 24 15.577 3.817 -17.771 1.00 0.00 H new ATOM 0 HA CYS A 24 16.087 1.208 -16.800 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.793 3.083 -15.509 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.212 3.835 -15.575 1.00 0.00 H new ATOM 396 N ASN A 25 12.974 2.282 -16.405 1.00 0.00 N ATOM 397 CA ASN A 25 11.597 1.836 -16.229 1.00 0.00 C ATOM 398 C ASN A 25 11.176 0.908 -17.364 1.00 0.00 C ATOM 399 O ASN A 25 10.459 -0.069 -17.148 1.00 0.00 O ATOM 400 CB ASN A 25 10.653 3.039 -16.161 1.00 0.00 C ATOM 401 CG ASN A 25 10.416 3.664 -17.522 1.00 0.00 C ATOM 402 OD1 ASN A 25 9.675 3.125 -18.345 1.00 0.00 O ATOM 403 ND2 ASN A 25 11.046 4.807 -17.766 1.00 0.00 N ATOM 0 H ASN A 25 13.091 3.295 -16.419 1.00 0.00 H new ATOM 0 HA ASN A 25 11.538 1.283 -15.291 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.699 2.726 -15.737 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.071 3.788 -15.488 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.925 5.274 -18.665 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.651 5.218 -17.055 1.00 0.00 H new ATOM 410 N TYR A 26 11.627 1.221 -18.574 1.00 0.00 N ATOM 411 CA TYR A 26 11.296 0.417 -19.745 1.00 0.00 C ATOM 412 C TYR A 26 12.032 -0.919 -19.713 1.00 0.00 C ATOM 413 O TYR A 26 11.498 -1.945 -20.137 1.00 0.00 O ATOM 414 CB TYR A 26 11.646 1.175 -21.026 1.00 0.00 C ATOM 415 CG TYR A 26 10.579 1.085 -22.094 1.00 0.00 C ATOM 416 CD1 TYR A 26 9.283 1.521 -21.848 1.00 0.00 C ATOM 417 CD2 TYR A 26 10.868 0.564 -23.349 1.00 0.00 C ATOM 418 CE1 TYR A 26 8.306 1.440 -22.820 1.00 0.00 C ATOM 419 CE2 TYR A 26 9.897 0.481 -24.329 1.00 0.00 C ATOM 420 CZ TYR A 26 8.617 0.919 -24.059 1.00 0.00 C ATOM 421 OH TYR A 26 7.647 0.838 -25.031 1.00 0.00 O ATOM 0 H TYR A 26 12.223 2.026 -18.770 1.00 0.00 H new ATOM 0 HA TYR A 26 10.224 0.221 -19.729 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.817 2.224 -20.782 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.582 0.784 -21.425 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.036 1.930 -20.880 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.869 0.218 -23.562 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.303 1.783 -22.612 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.139 0.076 -25.300 1.00 0.00 H new ATOM 0 HH TYR A 26 8.031 0.449 -25.844 1.00 0.00 H new ATOM 431 N ASP A 27 13.260 -0.899 -19.208 1.00 0.00 N ATOM 432 CA ASP A 27 14.071 -2.108 -19.119 1.00 0.00 C ATOM 433 C ASP A 27 13.503 -3.067 -18.078 1.00 0.00 C ATOM 434 O ASP A 27 13.456 -4.279 -18.295 1.00 0.00 O ATOM 435 CB ASP A 27 15.517 -1.753 -18.769 1.00 0.00 C ATOM 436 CG ASP A 27 16.292 -2.943 -18.238 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.863 -3.692 -19.058 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.328 -3.126 -17.003 1.00 0.00 O ATOM 0 H ASP A 27 13.716 -0.058 -18.854 1.00 0.00 H new ATOM 0 HA ASP A 27 14.052 -2.602 -20.091 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.017 -1.363 -19.656 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.523 -0.957 -18.024 1.00 0.00 H new ATOM 443 N CYS A 28 13.072 -2.518 -16.947 1.00 0.00 N ATOM 444 CA CYS A 28 12.509 -3.324 -15.871 1.00 0.00 C ATOM 445 C CYS A 28 11.375 -4.206 -16.388 1.00 0.00 C ATOM 446 O CYS A 28 11.434 -5.432 -16.292 1.00 0.00 O ATOM 447 CB CYS A 28 11.996 -2.424 -14.746 1.00 0.00 C ATOM 448 SG CYS A 28 13.296 -1.840 -13.610 1.00 0.00 S ATOM 0 H CYS A 28 13.102 -1.517 -16.752 1.00 0.00 H new ATOM 0 HA CYS A 28 13.298 -3.967 -15.482 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.497 -1.560 -15.185 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.245 -2.968 -14.173 1.00 0.00 H new ATOM 453 N LYS A 29 10.344 -3.573 -16.937 1.00 0.00 N ATOM 454 CA LYS A 29 9.197 -4.297 -17.471 1.00 0.00 C ATOM 455 C LYS A 29 9.610 -5.183 -18.641 1.00 0.00 C ATOM 456 O LYS A 29 9.010 -6.232 -18.881 1.00 0.00 O ATOM 457 CB LYS A 29 8.112 -3.316 -17.919 1.00 0.00 C ATOM 458 CG LYS A 29 7.744 -2.290 -16.860 1.00 0.00 C ATOM 459 CD LYS A 29 7.152 -1.036 -17.481 1.00 0.00 C ATOM 460 CE LYS A 29 5.698 -1.243 -17.878 1.00 0.00 C ATOM 461 NZ LYS A 29 4.780 -0.373 -17.092 1.00 0.00 N ATOM 0 H LYS A 29 10.279 -2.559 -17.024 1.00 0.00 H new ATOM 0 HA LYS A 29 8.799 -4.932 -16.679 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.452 -2.796 -18.814 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.219 -3.876 -18.196 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.027 -2.725 -16.164 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.630 -2.028 -16.283 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.223 -0.210 -16.773 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.733 -0.754 -18.359 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.578 -1.032 -18.941 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.426 -2.288 -17.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.838 -0.376 -17.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.709 -0.733 -16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.151 0.598 -17.076 1.00 0.00 H new ATOM 475 N LEU A 30 10.639 -4.757 -19.366 1.00 0.00 N ATOM 476 CA LEU A 30 11.133 -5.513 -20.511 1.00 0.00 C ATOM 477 C LEU A 30 11.467 -6.948 -20.114 1.00 0.00 C ATOM 478 O LEU A 30 10.999 -7.900 -20.738 1.00 0.00 O ATOM 479 CB LEU A 30 12.372 -4.834 -21.099 1.00 0.00 C ATOM 480 CG LEU A 30 12.291 -4.456 -22.579 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.295 -2.944 -22.744 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.441 -5.082 -23.353 1.00 0.00 C ATOM 0 H LEU A 30 11.147 -3.892 -19.181 1.00 0.00 H new ATOM 0 HA LEU A 30 10.346 -5.538 -21.265 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.574 -3.930 -20.524 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.226 -5.497 -20.960 1.00 0.00 H new ATOM 0 HG LEU A 30 11.355 -4.843 -22.983 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.237 -2.693 -23.803 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.437 -2.519 -22.223 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.214 -2.535 -22.324 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.367 -4.802 -24.404 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.388 -4.726 -22.948 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.393 -6.167 -23.262 1.00 0.00 H new ATOM 494 N ASP A 31 12.275 -7.094 -19.070 1.00 0.00 N ATOM 495 CA ASP A 31 12.669 -8.412 -18.587 1.00 0.00 C ATOM 496 C ASP A 31 12.002 -8.722 -17.250 1.00 0.00 C ATOM 497 O ASP A 31 11.129 -9.587 -17.165 1.00 0.00 O ATOM 498 CB ASP A 31 14.189 -8.494 -18.443 1.00 0.00 C ATOM 499 CG ASP A 31 14.837 -9.271 -19.572 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.287 -10.323 -19.959 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.894 -8.827 -20.068 1.00 0.00 O ATOM 0 H ASP A 31 12.670 -6.316 -18.542 1.00 0.00 H new ATOM 0 HA ASP A 31 12.341 -9.152 -19.317 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.603 -7.486 -18.415 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.436 -8.966 -17.492 1.00 0.00 H new ATOM 506 N LYS A 32 12.419 -8.012 -16.208 1.00 0.00 N ATOM 507 CA LYS A 32 11.862 -8.210 -14.874 1.00 0.00 C ATOM 508 C LYS A 32 10.338 -8.211 -14.916 1.00 0.00 C ATOM 509 O LYS A 32 9.685 -8.879 -14.112 1.00 0.00 O ATOM 510 CB LYS A 32 12.357 -7.115 -13.926 1.00 0.00 C ATOM 511 CG LYS A 32 13.863 -6.922 -13.953 1.00 0.00 C ATOM 512 CD LYS A 32 14.423 -6.702 -12.558 1.00 0.00 C ATOM 513 CE LYS A 32 15.912 -6.396 -12.596 1.00 0.00 C ATOM 514 NZ LYS A 32 16.450 -6.087 -11.242 1.00 0.00 N ATOM 0 H LYS A 32 13.141 -7.294 -16.261 1.00 0.00 H new ATOM 0 HA LYS A 32 12.198 -9.180 -14.506 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.874 -6.174 -14.188 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.049 -7.360 -12.910 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.335 -7.796 -14.401 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.110 -6.068 -14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.894 -5.879 -12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.249 -7.590 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.447 -7.249 -13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.092 -5.550 -13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.431 -5.753 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.869 -5.347 -10.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.426 -6.945 -10.655 1.00 0.00 H new ATOM 528 N HIS A 33 9.775 -7.459 -15.857 1.00 0.00 N ATOM 529 CA HIS A 33 8.326 -7.376 -16.003 1.00 0.00 C ATOM 530 C HIS A 33 7.694 -6.714 -14.783 1.00 0.00 C ATOM 531 O HIS A 33 6.583 -7.060 -14.383 1.00 0.00 O ATOM 532 CB HIS A 33 7.732 -8.769 -16.208 1.00 0.00 C ATOM 533 CG HIS A 33 6.408 -8.759 -16.909 1.00 0.00 C ATOM 534 ND1 HIS A 33 6.187 -8.082 -18.090 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.233 -9.349 -16.590 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.933 -8.255 -18.466 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.332 -9.021 -17.573 1.00 0.00 N ATOM 0 H HIS A 33 10.300 -6.899 -16.529 1.00 0.00 H new ATOM 0 HA HIS A 33 8.108 -6.765 -16.879 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.434 -9.373 -16.783 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.616 -9.252 -15.238 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.040 -9.964 -15.723 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.476 -7.841 -19.353 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.357 -9.320 -17.608 1.00 0.00 H new ATOM 545 N ALA A 34 8.410 -5.761 -14.195 1.00 0.00 N ATOM 546 CA ALA A 34 7.918 -5.051 -13.021 1.00 0.00 C ATOM 547 C ALA A 34 6.613 -4.323 -13.326 1.00 0.00 C ATOM 548 O ALA A 34 6.008 -4.530 -14.378 1.00 0.00 O ATOM 549 CB ALA A 34 8.968 -4.069 -12.520 1.00 0.00 C ATOM 0 H ALA A 34 9.332 -5.463 -14.513 1.00 0.00 H new ATOM 0 HA ALA A 34 7.720 -5.785 -12.240 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.587 -3.546 -11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.875 -4.611 -12.254 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.194 -3.346 -13.304 1.00 0.00 H new ATOM 555 N ARG A 35 6.185 -3.471 -12.400 1.00 0.00 N ATOM 556 CA ARG A 35 4.951 -2.715 -12.569 1.00 0.00 C ATOM 557 C ARG A 35 5.187 -1.473 -13.423 1.00 0.00 C ATOM 558 O ARG A 35 4.543 -1.285 -14.455 1.00 0.00 O ATOM 559 CB ARG A 35 4.384 -2.310 -11.207 1.00 0.00 C ATOM 560 CG ARG A 35 4.419 -3.427 -10.177 1.00 0.00 C ATOM 561 CD ARG A 35 3.930 -2.948 -8.819 1.00 0.00 C ATOM 562 NE ARG A 35 2.531 -2.528 -8.859 1.00 0.00 N ATOM 563 CZ ARG A 35 1.911 -1.943 -7.840 1.00 0.00 C ATOM 564 NH1 ARG A 35 2.561 -1.709 -6.709 1.00 0.00 N ATOM 565 NH2 ARG A 35 0.636 -1.590 -7.953 1.00 0.00 N ATOM 0 H ARG A 35 6.675 -3.287 -11.525 1.00 0.00 H new ATOM 0 HA ARG A 35 4.230 -3.354 -13.079 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.948 -1.458 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.354 -1.978 -11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.798 -4.256 -10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.436 -3.807 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.048 -3.748 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.549 -2.116 -8.483 1.00 0.00 H new ATOM 0 HE ARG A 35 2.002 -2.693 -9.715 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.541 -1.978 -6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.082 -1.260 -5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.133 -1.768 -8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.160 -1.141 -7.171 1.00 0.00 H new ATOM 579 N SER A 36 6.115 -0.628 -12.985 1.00 0.00 N ATOM 580 CA SER A 36 6.434 0.599 -13.707 1.00 0.00 C ATOM 581 C SER A 36 7.943 0.765 -13.856 1.00 0.00 C ATOM 582 O SER A 36 8.446 1.016 -14.950 1.00 0.00 O ATOM 583 CB SER A 36 5.845 1.810 -12.981 1.00 0.00 C ATOM 584 OG SER A 36 6.711 2.260 -11.954 1.00 0.00 O ATOM 0 H SER A 36 6.659 -0.770 -12.134 1.00 0.00 H new ATOM 0 HA SER A 36 5.994 0.531 -14.702 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.671 2.616 -13.694 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.877 1.547 -12.555 1.00 0.00 H new ATOM 0 HG SER A 36 6.795 1.565 -11.268 1.00 0.00 H new ATOM 590 N GLY A 37 8.660 0.623 -12.745 1.00 0.00 N ATOM 591 CA GLY A 37 10.105 0.761 -12.772 1.00 0.00 C ATOM 592 C GLY A 37 10.551 2.206 -12.670 1.00 0.00 C ATOM 593 O GLY A 37 10.024 3.075 -13.363 1.00 0.00 O ATOM 0 H GLY A 37 8.266 0.415 -11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.537 0.192 -11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.491 0.329 -13.695 1.00 0.00 H new ATOM 597 N GLU A 38 11.525 2.463 -11.802 1.00 0.00 N ATOM 598 CA GLU A 38 12.039 3.813 -11.610 1.00 0.00 C ATOM 599 C GLU A 38 13.459 3.781 -11.053 1.00 0.00 C ATOM 600 O GLU A 38 13.931 2.744 -10.583 1.00 0.00 O ATOM 601 CB GLU A 38 11.128 4.602 -10.667 1.00 0.00 C ATOM 602 CG GLU A 38 9.916 5.207 -11.357 1.00 0.00 C ATOM 603 CD GLU A 38 9.237 6.270 -10.516 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.547 5.904 -9.542 1.00 0.00 O ATOM 605 OE2 GLU A 38 9.396 7.468 -10.831 1.00 0.00 O ATOM 0 H GLU A 38 11.973 1.754 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 38 12.059 4.307 -12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.789 3.944 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.706 5.400 -10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.223 5.643 -12.308 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.200 4.417 -11.585 1.00 0.00 H new ATOM 612 N CYS A 39 14.137 4.922 -11.109 1.00 0.00 N ATOM 613 CA CYS A 39 15.504 5.026 -10.611 1.00 0.00 C ATOM 614 C CYS A 39 15.560 5.889 -9.353 1.00 0.00 C ATOM 615 O CYS A 39 14.902 6.925 -9.268 1.00 0.00 O ATOM 616 CB CYS A 39 16.417 5.614 -11.688 1.00 0.00 C ATOM 617 SG CYS A 39 16.552 4.591 -13.189 1.00 0.00 S ATOM 0 H CYS A 39 13.762 5.789 -11.495 1.00 0.00 H new ATOM 0 HA CYS A 39 15.850 4.024 -10.358 1.00 0.00 H new ATOM 0 HB2 CYS A 39 16.045 6.600 -11.966 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.412 5.756 -11.267 1.00 0.00 H new ATOM 622 N PHE A 40 16.352 5.453 -8.379 1.00 0.00 N ATOM 623 CA PHE A 40 16.495 6.184 -7.126 1.00 0.00 C ATOM 624 C PHE A 40 17.865 5.933 -6.502 1.00 0.00 C ATOM 625 O PHE A 40 18.538 4.954 -6.829 1.00 0.00 O ATOM 626 CB PHE A 40 15.394 5.777 -6.145 1.00 0.00 C ATOM 627 CG PHE A 40 14.006 6.013 -6.669 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.457 7.285 -6.664 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.252 4.963 -7.168 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.180 7.506 -7.147 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.975 5.178 -7.652 1.00 0.00 C ATOM 632 CZ PHE A 40 11.438 6.451 -7.640 1.00 0.00 C ATOM 0 H PHE A 40 16.904 4.597 -8.434 1.00 0.00 H new ATOM 0 HA PHE A 40 16.404 7.248 -7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.507 4.720 -5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.522 6.333 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 40 14.033 8.113 -6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.666 3.966 -7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.764 8.503 -7.139 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.398 4.352 -8.039 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.440 6.621 -8.016 1.00 0.00 H new ATOM 642 N TYR A 41 18.272 6.823 -5.604 1.00 0.00 N ATOM 643 CA TYR A 41 19.563 6.700 -4.937 1.00 0.00 C ATOM 644 C TYR A 41 19.513 5.634 -3.847 1.00 0.00 C ATOM 645 O TYR A 41 18.456 5.358 -3.281 1.00 0.00 O ATOM 646 CB TYR A 41 19.979 8.043 -4.334 1.00 0.00 C ATOM 647 CG TYR A 41 20.293 9.099 -5.369 1.00 0.00 C ATOM 648 CD1 TYR A 41 19.281 9.851 -5.953 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.603 9.346 -5.763 1.00 0.00 C ATOM 650 CE1 TYR A 41 19.564 10.817 -6.900 1.00 0.00 C ATOM 651 CE2 TYR A 41 21.895 10.311 -6.708 1.00 0.00 C ATOM 652 CZ TYR A 41 20.872 11.043 -7.273 1.00 0.00 C ATOM 653 OH TYR A 41 21.159 12.005 -8.215 1.00 0.00 O ATOM 0 H TYR A 41 17.727 7.637 -5.321 1.00 0.00 H new ATOM 0 HA TYR A 41 20.301 6.399 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.179 8.405 -3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.855 7.893 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.256 9.678 -5.662 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.406 8.774 -5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.765 11.392 -7.345 1.00 0.00 H new ATOM 0 HE2 TYR A 41 22.918 10.491 -7.002 1.00 0.00 H new ATOM 0 HH TYR A 41 22.127 12.039 -8.364 1.00 0.00 H new ATOM 663 N ASP A 42 20.665 5.039 -3.558 1.00 0.00 N ATOM 664 CA ASP A 42 20.756 4.004 -2.535 1.00 0.00 C ATOM 665 C ASP A 42 21.461 4.532 -1.289 1.00 0.00 C ATOM 666 O ASP A 42 21.688 5.734 -1.155 1.00 0.00 O ATOM 667 CB ASP A 42 21.499 2.783 -3.078 1.00 0.00 C ATOM 668 CG ASP A 42 22.962 3.070 -3.353 1.00 0.00 C ATOM 669 OD1 ASP A 42 23.375 4.239 -3.203 1.00 0.00 O ATOM 670 OD2 ASP A 42 23.694 2.127 -3.718 1.00 0.00 O ATOM 0 H ASP A 42 21.549 5.256 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 42 19.743 3.710 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.421 1.965 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.018 2.448 -3.997 1.00 0.00 H new ATOM 675 N GLU A 43 21.805 3.624 -0.380 1.00 0.00 N ATOM 676 CA GLU A 43 22.483 3.999 0.855 1.00 0.00 C ATOM 677 C GLU A 43 23.852 4.607 0.561 1.00 0.00 C ATOM 678 O GLU A 43 24.452 5.257 1.417 1.00 0.00 O ATOM 679 CB GLU A 43 22.639 2.781 1.768 1.00 0.00 C ATOM 680 CG GLU A 43 21.375 1.946 1.890 1.00 0.00 C ATOM 681 CD GLU A 43 21.049 1.588 3.326 1.00 0.00 C ATOM 682 OE1 GLU A 43 21.170 2.472 4.200 1.00 0.00 O ATOM 683 OE2 GLU A 43 20.675 0.423 3.578 1.00 0.00 O ATOM 0 H GLU A 43 21.625 2.625 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 43 21.873 4.747 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.444 2.153 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.939 3.117 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.538 2.495 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.491 1.031 1.309 1.00 0.00 H new ATOM 690 N LYS A 44 24.340 4.390 -0.656 1.00 0.00 N ATOM 691 CA LYS A 44 25.637 4.916 -1.065 1.00 0.00 C ATOM 692 C LYS A 44 25.470 6.143 -1.955 1.00 0.00 C ATOM 693 O LYS A 44 26.351 6.468 -2.752 1.00 0.00 O ATOM 694 CB LYS A 44 26.435 3.841 -1.805 1.00 0.00 C ATOM 695 CG LYS A 44 27.294 2.984 -0.891 1.00 0.00 C ATOM 696 CD LYS A 44 28.759 3.381 -0.968 1.00 0.00 C ATOM 697 CE LYS A 44 29.355 3.585 0.416 1.00 0.00 C ATOM 698 NZ LYS A 44 29.946 2.329 0.956 1.00 0.00 N ATOM 0 H LYS A 44 23.857 3.853 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 44 26.181 5.211 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 44 25.744 3.197 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.074 4.321 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 44 26.943 3.082 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.185 1.935 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.319 2.609 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.858 4.299 -1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.123 4.357 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.582 3.944 1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.342 2.510 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 29.208 1.599 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.701 2.000 0.321 1.00 0.00 H new ATOM 712 N ARG A 45 24.336 6.822 -1.814 1.00 0.00 N ATOM 713 CA ARG A 45 24.055 8.013 -2.605 1.00 0.00 C ATOM 714 C ARG A 45 24.245 7.735 -4.094 1.00 0.00 C ATOM 715 O ARG A 45 24.616 8.624 -4.859 1.00 0.00 O ATOM 716 CB ARG A 45 24.962 9.166 -2.171 1.00 0.00 C ATOM 717 CG ARG A 45 25.076 9.316 -0.663 1.00 0.00 C ATOM 718 CD ARG A 45 23.753 9.737 -0.043 1.00 0.00 C ATOM 719 NE ARG A 45 23.930 10.761 0.982 1.00 0.00 N ATOM 720 CZ ARG A 45 24.229 12.027 0.713 1.00 0.00 C ATOM 721 NH1 ARG A 45 24.384 12.422 -0.543 1.00 0.00 N ATOM 722 NH2 ARG A 45 24.374 12.900 1.701 1.00 0.00 N ATOM 0 H ARG A 45 23.597 6.567 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 45 23.016 8.294 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.957 9.012 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.580 10.096 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 45 25.400 8.371 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.841 10.055 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.092 10.115 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.265 8.866 0.395 1.00 0.00 H new ATOM 0 HE ARG A 45 23.818 10.489 1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 45 24.274 11.753 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 45 24.614 13.395 -0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.256 12.599 2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.604 13.872 1.493 1.00 0.00 H new ATOM 736 N ASN A 46 23.989 6.494 -4.496 1.00 0.00 N ATOM 737 CA ASN A 46 24.133 6.098 -5.892 1.00 0.00 C ATOM 738 C ASN A 46 22.775 5.783 -6.511 1.00 0.00 C ATOM 739 O ASN A 46 22.004 4.987 -5.972 1.00 0.00 O ATOM 740 CB ASN A 46 25.053 4.881 -6.006 1.00 0.00 C ATOM 741 CG ASN A 46 26.431 5.141 -5.428 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.888 6.283 -5.374 1.00 0.00 O ATOM 743 ND2 ASN A 46 27.099 4.080 -4.992 1.00 0.00 N ATOM 0 H ASN A 46 23.681 5.746 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 46 24.576 6.932 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.599 4.036 -5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.149 4.599 -7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 46 28.031 4.193 -4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 46 26.681 3.152 -5.057 1.00 0.00 H new ATOM 750 N LEU A 47 22.488 6.411 -7.646 1.00 0.00 N ATOM 751 CA LEU A 47 21.223 6.197 -8.340 1.00 0.00 C ATOM 752 C LEU A 47 21.228 4.866 -9.084 1.00 0.00 C ATOM 753 O LEU A 47 22.047 4.646 -9.976 1.00 0.00 O ATOM 754 CB LEU A 47 20.957 7.341 -9.320 1.00 0.00 C ATOM 755 CG LEU A 47 19.656 8.116 -9.110 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.684 9.425 -9.883 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.459 7.273 -9.527 1.00 0.00 C ATOM 0 H LEU A 47 23.114 7.072 -8.105 1.00 0.00 H new ATOM 0 HA LEU A 47 20.428 6.172 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.788 8.043 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.955 6.934 -10.331 1.00 0.00 H new ATOM 0 HG LEU A 47 19.560 8.346 -8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.750 9.963 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.518 10.035 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.804 9.217 -10.946 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.542 7.841 -9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.548 7.011 -10.581 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.429 6.363 -8.928 1.00 0.00 H new ATOM 769 N GLN A 48 20.308 3.982 -8.712 1.00 0.00 N ATOM 770 CA GLN A 48 20.206 2.673 -9.346 1.00 0.00 C ATOM 771 C GLN A 48 18.798 2.435 -9.882 1.00 0.00 C ATOM 772 O GLN A 48 17.842 3.082 -9.453 1.00 0.00 O ATOM 773 CB GLN A 48 20.578 1.571 -8.352 1.00 0.00 C ATOM 774 CG GLN A 48 22.067 1.502 -8.050 1.00 0.00 C ATOM 775 CD GLN A 48 22.370 1.659 -6.573 1.00 0.00 C ATOM 776 OE1 GLN A 48 23.000 2.633 -6.157 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.924 0.700 -5.771 1.00 0.00 N ATOM 0 H GLN A 48 19.623 4.148 -7.975 1.00 0.00 H new ATOM 0 HA GLN A 48 20.903 2.648 -10.184 1.00 0.00 H new ATOM 0 HB2 GLN A 48 20.034 1.734 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.251 0.610 -8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.461 0.547 -8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.584 2.283 -8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.406 -0.089 -6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 48 22.099 0.752 -4.767 1.00 0.00 H new ATOM 786 N CYS A 49 18.678 1.505 -10.823 1.00 0.00 N ATOM 787 CA CYS A 49 17.388 1.182 -11.419 1.00 0.00 C ATOM 788 C CYS A 49 16.584 0.256 -10.510 1.00 0.00 C ATOM 789 O CYS A 49 16.763 -0.962 -10.534 1.00 0.00 O ATOM 790 CB CYS A 49 17.584 0.526 -12.788 1.00 0.00 C ATOM 791 SG CYS A 49 16.044 0.310 -13.737 1.00 0.00 S ATOM 0 H CYS A 49 19.459 0.961 -11.189 1.00 0.00 H new ATOM 0 HA CYS A 49 16.832 2.111 -11.545 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.277 1.131 -13.373 1.00 0.00 H new ATOM 0 HB3 CYS A 49 18.052 -0.449 -12.648 1.00 0.00 H new ATOM 796 N ILE A 50 15.700 0.843 -9.711 1.00 0.00 N ATOM 797 CA ILE A 50 14.869 0.072 -8.795 1.00 0.00 C ATOM 798 C ILE A 50 13.517 -0.254 -9.421 1.00 0.00 C ATOM 799 O ILE A 50 12.748 0.644 -9.765 1.00 0.00 O ATOM 800 CB ILE A 50 14.641 0.825 -7.471 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.947 0.916 -6.680 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.564 0.134 -6.648 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.347 2.334 -6.335 1.00 0.00 C ATOM 0 H ILE A 50 15.541 1.850 -9.679 1.00 0.00 H new ATOM 0 HA ILE A 50 15.404 -0.855 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 50 14.304 1.837 -7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.845 0.341 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.746 0.452 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.414 0.678 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.631 0.116 -7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.874 -0.887 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.282 2.322 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.481 2.908 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.567 2.795 -5.729 1.00 0.00 H new ATOM 815 N CYS A 51 13.232 -1.544 -9.565 1.00 0.00 N ATOM 816 CA CYS A 51 11.973 -1.989 -10.148 1.00 0.00 C ATOM 817 C CYS A 51 10.946 -2.291 -9.060 1.00 0.00 C ATOM 818 O CYS A 51 11.290 -2.410 -7.884 1.00 0.00 O ATOM 819 CB CYS A 51 12.198 -3.232 -11.011 1.00 0.00 C ATOM 820 SG CYS A 51 13.609 -3.098 -12.155 1.00 0.00 S ATOM 0 H CYS A 51 13.857 -2.300 -9.285 1.00 0.00 H new ATOM 0 HA CYS A 51 11.587 -1.185 -10.774 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.354 -4.091 -10.358 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.294 -3.429 -11.587 1.00 0.00 H new ATOM 825 N ASP A 52 9.686 -2.413 -9.462 1.00 0.00 N ATOM 826 CA ASP A 52 8.609 -2.702 -8.522 1.00 0.00 C ATOM 827 C ASP A 52 8.064 -4.111 -8.737 1.00 0.00 C ATOM 828 O ASP A 52 7.616 -4.454 -9.831 1.00 0.00 O ATOM 829 CB ASP A 52 7.483 -1.678 -8.673 1.00 0.00 C ATOM 830 CG ASP A 52 7.536 -0.951 -10.002 1.00 0.00 C ATOM 831 OD1 ASP A 52 7.692 -1.626 -11.042 1.00 0.00 O ATOM 832 OD2 ASP A 52 7.420 0.292 -10.003 1.00 0.00 O ATOM 0 H ASP A 52 9.385 -2.316 -10.432 1.00 0.00 H new ATOM 0 HA ASP A 52 9.014 -2.638 -7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.522 -2.183 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.545 -0.952 -7.862 1.00 0.00 H new ATOM 837 N TYR A 53 8.106 -4.923 -7.686 1.00 0.00 N ATOM 838 CA TYR A 53 7.620 -6.295 -7.761 1.00 0.00 C ATOM 839 C TYR A 53 6.468 -6.519 -6.786 1.00 0.00 C ATOM 840 O TYR A 53 6.668 -6.576 -5.572 1.00 0.00 O ATOM 841 CB TYR A 53 8.754 -7.277 -7.461 1.00 0.00 C ATOM 842 CG TYR A 53 9.421 -7.828 -8.701 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.407 -7.106 -9.363 1.00 0.00 C ATOM 844 CD2 TYR A 53 9.066 -9.071 -9.211 1.00 0.00 C ATOM 845 CE1 TYR A 53 11.018 -7.605 -10.497 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.673 -9.579 -10.343 1.00 0.00 C ATOM 847 CZ TYR A 53 10.648 -8.842 -10.983 1.00 0.00 C ATOM 848 OH TYR A 53 11.256 -9.343 -12.111 1.00 0.00 O ATOM 0 H TYR A 53 8.472 -4.654 -6.772 1.00 0.00 H new ATOM 0 HA TYR A 53 7.255 -6.469 -8.773 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.503 -6.777 -6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.360 -8.105 -6.872 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.701 -6.138 -8.984 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.302 -9.650 -8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.781 -7.030 -11.000 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.386 -10.548 -10.725 1.00 0.00 H new ATOM 0 HH TYR A 53 10.578 -9.523 -12.795 1.00 0.00 H new ATOM 858 N CYS A 54 5.260 -6.646 -7.326 1.00 0.00 N ATOM 859 CA CYS A 54 4.074 -6.863 -6.507 1.00 0.00 C ATOM 860 C CYS A 54 2.876 -7.238 -7.373 1.00 0.00 C ATOM 861 O CYS A 54 2.243 -8.272 -7.160 1.00 0.00 O ATOM 862 CB CYS A 54 3.755 -5.609 -5.691 1.00 0.00 C ATOM 863 SG CYS A 54 4.244 -5.717 -3.939 1.00 0.00 S ATOM 0 H CYS A 54 5.077 -6.602 -8.329 1.00 0.00 H new ATOM 0 HA CYS A 54 4.280 -7.689 -5.826 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.258 -4.755 -6.145 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.684 -5.415 -5.747 1.00 0.00 H new