USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 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= -0.337 K(o=-3,f=-4.6!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.61 K(o=-3,f=-3.6) USER MOD Set 2.1: A 17 GLN : amide:sc= -0.43 K(o=-0.095,f=-1.3!) USER MOD Set 2.2: A 41 TYR OH : rot 165:sc= 0.335 USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0342) 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot -130:sc= -0.772 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 23 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.792 (180deg=0.557) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.316 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.7) USER MOD Single : A 48 GLN : amide:sc= -3.52! C(o=-3.5!,f=-7.9!) USER MOD Single : A 53 TYR OH : rot -123:sc= 0.412 USER MOD ----------------------------------------------------------------- ATOM 52 N CYS A 4 7.278 -3.220 -2.078 1.00 0.00 N ATOM 53 CA CYS A 4 8.038 -4.241 -2.788 1.00 0.00 C ATOM 54 C CYS A 4 8.748 -3.647 -4.001 1.00 0.00 C ATOM 55 O CYS A 4 8.175 -2.844 -4.738 1.00 0.00 O ATOM 56 CB CYS A 4 7.114 -5.378 -3.231 1.00 0.00 C ATOM 57 SG CYS A 4 5.520 -4.818 -3.912 1.00 0.00 S ATOM 0 HA CYS A 4 8.791 -4.637 -2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.628 -5.977 -3.983 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.924 -6.030 -2.379 1.00 0.00 H new ATOM 62 N LYS A 5 9.999 -4.046 -4.202 1.00 0.00 N ATOM 63 CA LYS A 5 10.788 -3.556 -5.325 1.00 0.00 C ATOM 64 C LYS A 5 12.051 -4.392 -5.510 1.00 0.00 C ATOM 65 O LYS A 5 12.377 -5.235 -4.674 1.00 0.00 O ATOM 66 CB LYS A 5 11.163 -2.088 -5.109 1.00 0.00 C ATOM 67 CG LYS A 5 12.228 -1.882 -4.046 1.00 0.00 C ATOM 68 CD LYS A 5 11.704 -1.055 -2.884 1.00 0.00 C ATOM 69 CE LYS A 5 12.736 -0.044 -2.409 1.00 0.00 C ATOM 70 NZ LYS A 5 12.419 1.333 -2.877 1.00 0.00 N ATOM 0 H LYS A 5 10.489 -4.708 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 5 10.182 -3.642 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.517 -1.670 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.269 -1.531 -4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.570 -2.850 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.092 -1.385 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.796 -0.534 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.433 -1.715 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.782 -0.056 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.722 -0.333 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.218 1.964 -2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.250 1.321 -3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.567 1.678 -2.390 1.00 0.00 H new ATOM 84 N LYS A 6 12.759 -4.152 -6.608 1.00 0.00 N ATOM 85 CA LYS A 6 13.987 -4.880 -6.902 1.00 0.00 C ATOM 86 C LYS A 6 15.021 -3.965 -7.549 1.00 0.00 C ATOM 87 O LYS A 6 14.843 -3.513 -8.680 1.00 0.00 O ATOM 88 CB LYS A 6 13.693 -6.067 -7.823 1.00 0.00 C ATOM 89 CG LYS A 6 12.950 -7.200 -7.136 1.00 0.00 C ATOM 90 CD LYS A 6 13.035 -8.488 -7.938 1.00 0.00 C ATOM 91 CE LYS A 6 14.053 -9.449 -7.343 1.00 0.00 C ATOM 92 NZ LYS A 6 14.243 -10.654 -8.197 1.00 0.00 N ATOM 0 H LYS A 6 12.503 -3.458 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 6 14.394 -5.250 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.105 -5.720 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.633 -6.449 -8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.368 -7.361 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.905 -6.922 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.056 -8.966 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.308 -8.259 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.007 -8.937 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.726 -9.756 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.944 -11.284 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.338 -11.157 -8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.580 -10.364 -9.137 1.00 0.00 H new ATOM 106 N VAL A 7 16.103 -3.696 -6.825 1.00 0.00 N ATOM 107 CA VAL A 7 17.167 -2.837 -7.330 1.00 0.00 C ATOM 108 C VAL A 7 18.007 -3.559 -8.377 1.00 0.00 C ATOM 109 O VAL A 7 18.167 -4.779 -8.326 1.00 0.00 O ATOM 110 CB VAL A 7 18.087 -2.356 -6.192 1.00 0.00 C ATOM 111 CG1 VAL A 7 18.955 -3.499 -5.688 1.00 0.00 C ATOM 112 CG2 VAL A 7 18.945 -1.189 -6.659 1.00 0.00 C ATOM 0 H VAL A 7 16.266 -4.061 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 7 16.685 -1.973 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 7 17.465 -2.012 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.598 -3.140 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.319 -4.301 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.571 -3.876 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.589 -0.861 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.560 -1.504 -7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.302 -0.365 -6.967 1.00 0.00 H new ATOM 122 N TYR A 8 18.541 -2.799 -9.326 1.00 0.00 N ATOM 123 CA TYR A 8 19.364 -3.367 -10.388 1.00 0.00 C ATOM 124 C TYR A 8 20.825 -2.961 -10.221 1.00 0.00 C ATOM 125 O TYR A 8 21.267 -1.954 -10.773 1.00 0.00 O ATOM 126 CB TYR A 8 18.850 -2.916 -11.756 1.00 0.00 C ATOM 127 CG TYR A 8 18.953 -3.982 -12.823 1.00 0.00 C ATOM 128 CD1 TYR A 8 19.886 -5.007 -12.721 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.118 -3.965 -13.933 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.984 -5.983 -13.694 1.00 0.00 C ATOM 131 CE2 TYR A 8 18.207 -4.938 -14.910 1.00 0.00 C ATOM 132 CZ TYR A 8 19.142 -5.944 -14.786 1.00 0.00 C ATOM 133 OH TYR A 8 19.236 -6.915 -15.757 1.00 0.00 O ATOM 0 H TYR A 8 18.419 -1.788 -9.382 1.00 0.00 H new ATOM 0 HA TYR A 8 19.298 -4.453 -10.323 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.809 -2.609 -11.660 1.00 0.00 H new ATOM 0 HB3 TYR A 8 19.413 -2.039 -12.075 1.00 0.00 H new ATOM 0 HD1 TYR A 8 20.546 -5.041 -11.867 1.00 0.00 H new ATOM 0 HD2 TYR A 8 17.386 -3.177 -14.034 1.00 0.00 H new ATOM 0 HE1 TYR A 8 20.716 -6.772 -13.600 1.00 0.00 H new ATOM 0 HE2 TYR A 8 17.548 -4.911 -15.765 1.00 0.00 H new ATOM 0 HH TYR A 8 18.572 -6.743 -16.457 1.00 0.00 H new ATOM 143 N GLU A 9 21.569 -3.754 -9.457 1.00 0.00 N ATOM 144 CA GLU A 9 22.981 -3.477 -9.217 1.00 0.00 C ATOM 145 C GLU A 9 23.761 -3.455 -10.528 1.00 0.00 C ATOM 146 O GLU A 9 24.862 -2.912 -10.598 1.00 0.00 O ATOM 147 CB GLU A 9 23.576 -4.525 -8.274 1.00 0.00 C ATOM 148 CG GLU A 9 22.761 -4.739 -7.010 1.00 0.00 C ATOM 149 CD GLU A 9 22.609 -3.470 -6.193 1.00 0.00 C ATOM 150 OE1 GLU A 9 21.951 -2.527 -6.680 1.00 0.00 O ATOM 151 OE2 GLU A 9 23.147 -3.421 -5.067 1.00 0.00 O ATOM 0 H GLU A 9 21.219 -4.593 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 9 23.058 -2.494 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.662 -5.473 -8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.586 -4.222 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 9 21.774 -5.115 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 9 23.239 -5.505 -6.399 1.00 0.00 H new ATOM 158 N ASN A 10 23.181 -4.052 -11.565 1.00 0.00 N ATOM 159 CA ASN A 10 23.822 -4.102 -12.874 1.00 0.00 C ATOM 160 C ASN A 10 23.081 -3.223 -13.877 1.00 0.00 C ATOM 161 O ASN A 10 22.536 -3.715 -14.866 1.00 0.00 O ATOM 162 CB ASN A 10 23.875 -5.544 -13.384 1.00 0.00 C ATOM 163 CG ASN A 10 24.254 -6.529 -12.295 1.00 0.00 C ATOM 164 OD1 ASN A 10 25.433 -6.715 -11.994 1.00 0.00 O ATOM 165 ND2 ASN A 10 23.252 -7.166 -11.699 1.00 0.00 N ATOM 0 H ASN A 10 22.269 -4.507 -11.524 1.00 0.00 H new ATOM 0 HA ASN A 10 24.839 -3.723 -12.768 1.00 0.00 H new ATOM 0 HB2 ASN A 10 22.903 -5.817 -13.795 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.596 -5.612 -14.199 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.445 -7.841 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.290 -6.980 -11.981 1.00 0.00 H new ATOM 172 N TYR A 11 23.066 -1.921 -13.616 1.00 0.00 N ATOM 173 CA TYR A 11 22.391 -0.973 -14.494 1.00 0.00 C ATOM 174 C TYR A 11 23.075 0.390 -14.452 1.00 0.00 C ATOM 175 O TYR A 11 23.479 0.879 -13.397 1.00 0.00 O ATOM 176 CB TYR A 11 20.922 -0.831 -14.093 1.00 0.00 C ATOM 177 CG TYR A 11 20.003 -0.528 -15.255 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.595 -1.533 -16.124 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.545 0.763 -15.485 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.757 -1.260 -17.188 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.705 1.044 -16.546 1.00 0.00 C ATOM 182 CZ TYR A 11 18.314 0.030 -17.394 1.00 0.00 C ATOM 183 OH TYR A 11 17.479 0.306 -18.452 1.00 0.00 O ATOM 0 H TYR A 11 23.514 -1.498 -12.803 1.00 0.00 H new ATOM 0 HA TYR A 11 22.447 -1.357 -15.513 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.595 -1.753 -13.613 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.832 -0.036 -13.352 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.939 -2.544 -15.965 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.850 1.560 -14.824 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.450 -2.052 -17.855 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.357 2.053 -16.710 1.00 0.00 H new ATOM 0 HH TYR A 11 17.829 1.072 -18.954 1.00 0.00 H new ATOM 193 N PRO A 12 23.207 1.021 -15.628 1.00 0.00 N ATOM 194 CA PRO A 12 23.840 2.337 -15.754 1.00 0.00 C ATOM 195 C PRO A 12 22.993 3.448 -15.143 1.00 0.00 C ATOM 196 O PRO A 12 21.838 3.642 -15.520 1.00 0.00 O ATOM 197 CB PRO A 12 23.961 2.529 -17.268 1.00 0.00 C ATOM 198 CG PRO A 12 22.881 1.681 -17.845 1.00 0.00 C ATOM 199 CD PRO A 12 22.748 0.498 -16.926 1.00 0.00 C ATOM 0 HA PRO A 12 24.793 2.383 -15.227 1.00 0.00 H new ATOM 0 HB2 PRO A 12 23.834 3.575 -17.546 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.942 2.220 -17.629 1.00 0.00 H new ATOM 0 HG2 PRO A 12 21.943 2.233 -17.909 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.133 1.363 -18.857 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.719 0.143 -16.875 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.359 -0.341 -17.260 1.00 0.00 H new ATOM 207 N VAL A 13 23.576 4.177 -14.196 1.00 0.00 N ATOM 208 CA VAL A 13 22.876 5.270 -13.532 1.00 0.00 C ATOM 209 C VAL A 13 22.605 6.417 -14.500 1.00 0.00 C ATOM 210 O VAL A 13 21.754 7.269 -14.246 1.00 0.00 O ATOM 211 CB VAL A 13 23.679 5.805 -12.332 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.144 4.659 -11.447 1.00 0.00 C ATOM 213 CG2 VAL A 13 24.862 6.634 -12.810 1.00 0.00 C ATOM 0 H VAL A 13 24.532 4.030 -13.872 1.00 0.00 H new ATOM 0 HA VAL A 13 21.928 4.868 -13.174 1.00 0.00 H new ATOM 0 HB VAL A 13 23.029 6.449 -11.740 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.710 5.056 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.278 4.111 -11.076 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.778 3.987 -12.025 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.418 7.004 -11.949 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.515 6.015 -13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.501 7.477 -13.399 1.00 0.00 H new ATOM 223 N SER A 14 23.335 6.431 -15.611 1.00 0.00 N ATOM 224 CA SER A 14 23.176 7.475 -16.617 1.00 0.00 C ATOM 225 C SER A 14 21.775 7.440 -17.219 1.00 0.00 C ATOM 226 O SER A 14 21.064 8.445 -17.229 1.00 0.00 O ATOM 227 CB SER A 14 24.223 7.313 -17.720 1.00 0.00 C ATOM 228 OG SER A 14 25.070 8.446 -17.790 1.00 0.00 O ATOM 0 H SER A 14 24.042 5.731 -15.837 1.00 0.00 H new ATOM 0 HA SER A 14 23.319 8.440 -16.130 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.819 6.420 -17.531 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.726 7.167 -18.679 1.00 0.00 H new ATOM 0 HG SER A 14 25.731 8.317 -18.502 1.00 0.00 H new ATOM 234 N LYS A 15 21.383 6.274 -17.723 1.00 0.00 N ATOM 235 CA LYS A 15 20.067 6.104 -18.327 1.00 0.00 C ATOM 236 C LYS A 15 18.963 6.436 -17.329 1.00 0.00 C ATOM 237 O LYS A 15 17.855 6.809 -17.714 1.00 0.00 O ATOM 238 CB LYS A 15 19.897 4.671 -18.834 1.00 0.00 C ATOM 239 CG LYS A 15 20.065 4.533 -20.338 1.00 0.00 C ATOM 240 CD LYS A 15 19.496 3.218 -20.844 1.00 0.00 C ATOM 241 CE LYS A 15 20.596 2.282 -21.320 1.00 0.00 C ATOM 242 NZ LYS A 15 20.117 1.362 -22.389 1.00 0.00 N ATOM 0 H LYS A 15 21.959 5.432 -17.725 1.00 0.00 H new ATOM 0 HA LYS A 15 19.990 6.792 -19.169 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.624 4.030 -18.335 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.908 4.310 -18.553 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.566 5.363 -20.838 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.123 4.596 -20.594 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.926 2.737 -20.049 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.802 3.411 -21.662 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.435 2.868 -21.695 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.966 1.698 -20.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.896 0.740 -22.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.333 0.784 -22.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.787 1.918 -23.204 1.00 0.00 H new ATOM 256 N CYS A 16 19.273 6.299 -16.044 1.00 0.00 N ATOM 257 CA CYS A 16 18.308 6.585 -14.989 1.00 0.00 C ATOM 258 C CYS A 16 18.090 8.088 -14.844 1.00 0.00 C ATOM 259 O CYS A 16 16.964 8.545 -14.648 1.00 0.00 O ATOM 260 CB CYS A 16 18.785 5.997 -13.659 1.00 0.00 C ATOM 261 SG CYS A 16 18.324 4.253 -13.409 1.00 0.00 S ATOM 0 H CYS A 16 20.186 5.991 -15.708 1.00 0.00 H new ATOM 0 HA CYS A 16 17.360 6.123 -15.264 1.00 0.00 H new ATOM 0 HB2 CYS A 16 19.870 6.087 -13.603 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.373 6.591 -12.843 1.00 0.00 H new ATOM 266 N GLN A 17 19.174 8.850 -14.943 1.00 0.00 N ATOM 267 CA GLN A 17 19.101 10.301 -14.822 1.00 0.00 C ATOM 268 C GLN A 17 18.518 10.924 -16.087 1.00 0.00 C ATOM 269 O GLN A 17 18.172 12.106 -16.107 1.00 0.00 O ATOM 270 CB GLN A 17 20.489 10.882 -14.547 1.00 0.00 C ATOM 271 CG GLN A 17 21.020 10.558 -13.160 1.00 0.00 C ATOM 272 CD GLN A 17 20.503 11.511 -12.101 1.00 0.00 C ATOM 273 OE1 GLN A 17 19.438 12.109 -12.254 1.00 0.00 O ATOM 274 NE2 GLN A 17 21.256 11.657 -11.017 1.00 0.00 N ATOM 0 H GLN A 17 20.113 8.487 -15.107 1.00 0.00 H new ATOM 0 HA GLN A 17 18.444 10.538 -13.985 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.187 10.501 -15.292 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.451 11.965 -14.669 1.00 0.00 H new ATOM 0 HG2 GLN A 17 20.737 9.539 -12.896 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.109 10.593 -13.175 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.132 11.142 -10.931 1.00 0.00 H new ATOM 0 HE22 GLN A 17 20.958 12.284 -10.270 1.00 0.00 H new ATOM 283 N LEU A 18 18.412 10.122 -17.140 1.00 0.00 N ATOM 284 CA LEU A 18 17.870 10.594 -18.410 1.00 0.00 C ATOM 285 C LEU A 18 16.368 10.837 -18.305 1.00 0.00 C ATOM 286 O LEU A 18 15.563 9.993 -18.699 1.00 0.00 O ATOM 287 CB LEU A 18 18.158 9.579 -19.518 1.00 0.00 C ATOM 288 CG LEU A 18 19.382 9.865 -20.389 1.00 0.00 C ATOM 289 CD1 LEU A 18 19.856 8.595 -21.077 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.066 10.944 -21.415 1.00 0.00 C ATOM 0 H LEU A 18 18.694 9.142 -17.140 1.00 0.00 H new ATOM 0 HA LEU A 18 18.355 11.539 -18.655 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.284 8.598 -19.060 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.283 9.519 -20.165 1.00 0.00 H new ATOM 0 HG LEU A 18 20.185 10.227 -19.747 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.728 8.818 -21.692 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.123 7.852 -20.325 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.058 8.203 -21.707 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.948 11.135 -22.026 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.248 10.611 -22.053 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.775 11.860 -20.901 1.00 0.00 H new ATOM 302 N ARG A 19 15.998 11.997 -17.772 1.00 0.00 N ATOM 303 CA ARG A 19 14.592 12.352 -17.616 1.00 0.00 C ATOM 304 C ARG A 19 13.890 12.400 -18.969 1.00 0.00 C ATOM 305 O ARG A 19 12.678 12.201 -19.059 1.00 0.00 O ATOM 306 CB ARG A 19 14.461 13.704 -16.912 1.00 0.00 C ATOM 307 CG ARG A 19 14.657 13.629 -15.407 1.00 0.00 C ATOM 308 CD ARG A 19 15.730 14.597 -14.936 1.00 0.00 C ATOM 309 NE ARG A 19 15.181 15.916 -14.629 1.00 0.00 N ATOM 310 CZ ARG A 19 15.907 16.922 -14.156 1.00 0.00 C ATOM 311 NH1 ARG A 19 17.205 16.762 -13.936 1.00 0.00 N ATOM 312 NH2 ARG A 19 15.336 18.092 -13.902 1.00 0.00 N ATOM 0 H ARG A 19 16.652 12.707 -17.441 1.00 0.00 H new ATOM 0 HA ARG A 19 14.115 11.585 -17.006 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.193 14.395 -17.331 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.475 14.119 -17.121 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.716 13.855 -14.905 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.933 12.613 -15.125 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.219 14.193 -14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.495 14.693 -15.706 1.00 0.00 H new ATOM 0 HE ARG A 19 14.185 16.072 -14.787 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.648 15.864 -14.130 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.760 17.537 -13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.338 18.220 -14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.895 18.864 -13.539 1.00 0.00 H new ATOM 326 N ILE A 20 14.659 12.667 -20.020 1.00 0.00 N ATOM 327 CA ILE A 20 14.111 12.741 -21.368 1.00 0.00 C ATOM 328 C ILE A 20 13.880 11.348 -21.945 1.00 0.00 C ATOM 329 O ILE A 20 12.990 11.147 -22.771 1.00 0.00 O ATOM 330 CB ILE A 20 15.040 13.527 -22.311 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.522 14.812 -21.634 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.325 13.845 -23.616 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.439 15.645 -22.502 1.00 0.00 C ATOM 0 H ILE A 20 15.663 12.836 -19.963 1.00 0.00 H new ATOM 0 HA ILE A 20 13.157 13.263 -21.292 1.00 0.00 H new ATOM 0 HB ILE A 20 15.910 12.910 -22.537 1.00 0.00 H new ATOM 0 HG12 ILE A 20 14.656 15.412 -21.354 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.043 14.554 -20.712 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.995 14.401 -24.272 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.028 12.917 -24.104 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.439 14.446 -23.409 1.00 0.00 H new ATOM 0 HD11 ILE A 20 16.741 16.540 -21.958 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.323 15.062 -22.761 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.915 15.934 -23.413 1.00 0.00 H new ATOM 345 N ALA A 21 14.686 10.389 -21.502 1.00 0.00 N ATOM 346 CA ALA A 21 14.567 9.014 -21.971 1.00 0.00 C ATOM 347 C ALA A 21 14.955 8.025 -20.877 1.00 0.00 C ATOM 348 O ALA A 21 16.083 7.535 -20.842 1.00 0.00 O ATOM 349 CB ALA A 21 15.429 8.801 -23.207 1.00 0.00 C ATOM 0 H ALA A 21 15.428 10.539 -20.819 1.00 0.00 H new ATOM 0 HA ALA A 21 13.524 8.835 -22.233 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.330 7.770 -23.546 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.103 9.476 -23.998 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.472 9.004 -22.963 1.00 0.00 H new ATOM 355 N ASN A 22 14.013 7.738 -19.985 1.00 0.00 N ATOM 356 CA ASN A 22 14.257 6.808 -18.888 1.00 0.00 C ATOM 357 C ASN A 22 14.066 5.365 -19.345 1.00 0.00 C ATOM 358 O ASN A 22 12.975 4.808 -19.232 1.00 0.00 O ATOM 359 CB ASN A 22 13.321 7.112 -17.716 1.00 0.00 C ATOM 360 CG ASN A 22 13.944 6.773 -16.376 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.155 6.900 -16.191 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.117 6.339 -15.432 1.00 0.00 N ATOM 0 H ASN A 22 13.074 8.136 -20.000 1.00 0.00 H new ATOM 0 HA ASN A 22 15.289 6.933 -18.562 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.054 8.169 -17.733 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.396 6.548 -17.837 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.478 6.096 -14.510 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.120 6.249 -15.629 1.00 0.00 H new ATOM 369 N GLN A 23 15.135 4.767 -19.861 1.00 0.00 N ATOM 370 CA GLN A 23 15.084 3.389 -20.335 1.00 0.00 C ATOM 371 C GLN A 23 15.062 2.411 -19.165 1.00 0.00 C ATOM 372 O GLN A 23 14.933 1.202 -19.355 1.00 0.00 O ATOM 373 CB GLN A 23 16.283 3.094 -21.238 1.00 0.00 C ATOM 374 CG GLN A 23 15.899 2.776 -22.674 1.00 0.00 C ATOM 375 CD GLN A 23 15.480 1.331 -22.860 1.00 0.00 C ATOM 376 OE1 GLN A 23 16.224 0.409 -22.527 1.00 0.00 O ATOM 377 NE2 GLN A 23 14.282 1.126 -23.395 1.00 0.00 N ATOM 0 H GLN A 23 16.046 5.215 -19.961 1.00 0.00 H new ATOM 0 HA GLN A 23 14.166 3.262 -20.908 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.952 3.954 -21.232 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.840 2.253 -20.825 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.082 3.429 -22.981 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.743 2.993 -23.328 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.698 1.920 -23.657 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.946 0.175 -23.544 1.00 0.00 H new ATOM 386 N CYS A 24 15.188 2.943 -17.953 1.00 0.00 N ATOM 387 CA CYS A 24 15.183 2.118 -16.751 1.00 0.00 C ATOM 388 C CYS A 24 13.818 1.468 -16.543 1.00 0.00 C ATOM 389 O CYS A 24 13.695 0.244 -16.545 1.00 0.00 O ATOM 390 CB CYS A 24 15.551 2.960 -15.528 1.00 0.00 C ATOM 391 SG CYS A 24 15.270 2.120 -13.936 1.00 0.00 S ATOM 0 H CYS A 24 15.295 3.942 -17.778 1.00 0.00 H new ATOM 0 HA CYS A 24 15.925 1.330 -16.878 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.601 3.242 -15.597 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.971 3.883 -15.547 1.00 0.00 H new ATOM 396 N ASN A 25 12.795 2.298 -16.365 1.00 0.00 N ATOM 397 CA ASN A 25 11.439 1.805 -16.155 1.00 0.00 C ATOM 398 C ASN A 25 11.013 0.882 -17.293 1.00 0.00 C ATOM 399 O ASN A 25 10.355 -0.134 -17.069 1.00 0.00 O ATOM 400 CB ASN A 25 10.460 2.975 -16.040 1.00 0.00 C ATOM 401 CG ASN A 25 10.158 3.611 -17.383 1.00 0.00 C ATOM 402 OD1 ASN A 25 9.396 3.067 -18.182 1.00 0.00 O ATOM 403 ND2 ASN A 25 10.758 4.768 -17.638 1.00 0.00 N ATOM 0 H ASN A 25 12.880 3.314 -16.362 1.00 0.00 H new ATOM 0 HA ASN A 25 11.427 1.237 -15.225 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.531 2.625 -15.590 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.875 3.728 -15.370 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.595 5.242 -18.526 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.382 5.182 -16.946 1.00 0.00 H new ATOM 410 N TYR A 26 11.394 1.242 -18.513 1.00 0.00 N ATOM 411 CA TYR A 26 11.051 0.448 -19.687 1.00 0.00 C ATOM 412 C TYR A 26 11.821 -0.869 -19.698 1.00 0.00 C ATOM 413 O TYR A 26 11.283 -1.912 -20.069 1.00 0.00 O ATOM 414 CB TYR A 26 11.346 1.235 -20.965 1.00 0.00 C ATOM 415 CG TYR A 26 10.270 1.102 -22.020 1.00 0.00 C ATOM 416 CD1 TYR A 26 10.152 -0.057 -22.777 1.00 0.00 C ATOM 417 CD2 TYR A 26 9.372 2.134 -22.258 1.00 0.00 C ATOM 418 CE1 TYR A 26 9.172 -0.183 -23.742 1.00 0.00 C ATOM 419 CE2 TYR A 26 8.387 2.017 -23.220 1.00 0.00 C ATOM 420 CZ TYR A 26 8.292 0.857 -23.960 1.00 0.00 C ATOM 421 OH TYR A 26 7.313 0.735 -24.919 1.00 0.00 O ATOM 0 H TYR A 26 11.941 2.079 -18.715 1.00 0.00 H new ATOM 0 HA TYR A 26 9.985 0.224 -19.644 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.468 2.288 -20.713 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.295 0.895 -21.380 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.838 -0.873 -22.608 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.445 3.044 -21.681 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.095 -1.090 -24.323 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.696 2.829 -23.391 1.00 0.00 H new ATOM 0 HH TYR A 26 6.777 1.555 -24.945 1.00 0.00 H new ATOM 431 N ASP A 27 13.083 -0.812 -19.287 1.00 0.00 N ATOM 432 CA ASP A 27 13.928 -1.999 -19.247 1.00 0.00 C ATOM 433 C ASP A 27 13.400 -3.009 -18.233 1.00 0.00 C ATOM 434 O ASP A 27 13.371 -4.211 -18.496 1.00 0.00 O ATOM 435 CB ASP A 27 15.368 -1.615 -18.900 1.00 0.00 C ATOM 436 CG ASP A 27 16.291 -2.816 -18.848 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.410 -3.427 -17.765 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.894 -3.146 -19.891 1.00 0.00 O ATOM 0 H ASP A 27 13.543 0.044 -18.977 1.00 0.00 H new ATOM 0 HA ASP A 27 13.911 -2.460 -20.235 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.740 -0.906 -19.640 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.383 -1.107 -17.936 1.00 0.00 H new ATOM 443 N CYS A 28 12.984 -2.512 -17.073 1.00 0.00 N ATOM 444 CA CYS A 28 12.457 -3.370 -16.018 1.00 0.00 C ATOM 445 C CYS A 28 11.350 -4.273 -16.553 1.00 0.00 C ATOM 446 O CYS A 28 11.442 -5.498 -16.479 1.00 0.00 O ATOM 447 CB CYS A 28 11.925 -2.522 -14.861 1.00 0.00 C ATOM 448 SG CYS A 28 13.218 -1.895 -13.741 1.00 0.00 S ATOM 0 H CYS A 28 13.002 -1.519 -16.840 1.00 0.00 H new ATOM 0 HA CYS A 28 13.270 -3.999 -15.655 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.372 -1.676 -15.269 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.217 -3.117 -14.284 1.00 0.00 H new ATOM 453 N LYS A 29 10.302 -3.659 -17.093 1.00 0.00 N ATOM 454 CA LYS A 29 9.177 -4.406 -17.642 1.00 0.00 C ATOM 455 C LYS A 29 9.618 -5.261 -18.826 1.00 0.00 C ATOM 456 O LYS A 29 9.055 -6.328 -19.077 1.00 0.00 O ATOM 457 CB LYS A 29 8.067 -3.447 -18.078 1.00 0.00 C ATOM 458 CG LYS A 29 7.688 -2.431 -17.014 1.00 0.00 C ATOM 459 CD LYS A 29 6.988 -1.225 -17.619 1.00 0.00 C ATOM 460 CE LYS A 29 7.917 -0.441 -18.532 1.00 0.00 C ATOM 461 NZ LYS A 29 7.316 -0.219 -19.876 1.00 0.00 N ATOM 0 H LYS A 29 10.209 -2.646 -17.162 1.00 0.00 H new ATOM 0 HA LYS A 29 8.795 -5.065 -16.862 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.387 -2.918 -18.976 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.183 -4.026 -18.347 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.035 -2.900 -16.278 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.584 -2.106 -16.485 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.115 -1.555 -18.183 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.626 -0.575 -16.822 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.149 0.521 -18.075 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.859 -0.978 -18.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.980 0.319 -20.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.118 -1.137 -20.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.430 0.316 -19.776 1.00 0.00 H new ATOM 475 N LEU A 30 10.627 -4.789 -19.548 1.00 0.00 N ATOM 476 CA LEU A 30 11.145 -5.512 -20.704 1.00 0.00 C ATOM 477 C LEU A 30 11.509 -6.946 -20.332 1.00 0.00 C ATOM 478 O LEU A 30 11.076 -7.896 -20.984 1.00 0.00 O ATOM 479 CB LEU A 30 12.370 -4.794 -21.273 1.00 0.00 C ATOM 480 CG LEU A 30 12.573 -4.908 -22.785 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.871 -3.544 -23.387 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.693 -5.888 -23.100 1.00 0.00 C ATOM 0 H LEU A 30 11.103 -3.908 -19.354 1.00 0.00 H new ATOM 0 HA LEU A 30 10.363 -5.541 -21.463 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.299 -3.737 -21.015 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.258 -5.185 -20.777 1.00 0.00 H new ATOM 0 HG LEU A 30 11.652 -5.285 -23.229 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.013 -3.644 -24.463 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.037 -2.870 -23.192 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.778 -3.138 -22.938 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.823 -5.957 -24.180 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.620 -5.540 -22.644 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.439 -6.871 -22.702 1.00 0.00 H new ATOM 494 N ASP A 31 12.305 -7.094 -19.279 1.00 0.00 N ATOM 495 CA ASP A 31 12.725 -8.412 -18.817 1.00 0.00 C ATOM 496 C ASP A 31 12.075 -8.752 -17.480 1.00 0.00 C ATOM 497 O ASP A 31 11.226 -9.639 -17.397 1.00 0.00 O ATOM 498 CB ASP A 31 14.248 -8.469 -18.688 1.00 0.00 C ATOM 499 CG ASP A 31 14.897 -9.234 -19.825 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.606 -8.916 -20.997 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.698 -10.150 -19.542 1.00 0.00 O ATOM 0 H ASP A 31 12.673 -6.318 -18.729 1.00 0.00 H new ATOM 0 HA ASP A 31 12.403 -9.148 -19.554 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.646 -7.455 -18.663 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.512 -8.939 -17.740 1.00 0.00 H new ATOM 506 N LYS A 32 12.481 -8.041 -16.433 1.00 0.00 N ATOM 507 CA LYS A 32 11.939 -8.265 -15.098 1.00 0.00 C ATOM 508 C LYS A 32 10.415 -8.306 -15.130 1.00 0.00 C ATOM 509 O LYS A 32 9.785 -8.987 -14.319 1.00 0.00 O ATOM 510 CB LYS A 32 12.412 -7.168 -14.142 1.00 0.00 C ATOM 511 CG LYS A 32 13.907 -6.910 -14.204 1.00 0.00 C ATOM 512 CD LYS A 32 14.487 -6.656 -12.822 1.00 0.00 C ATOM 513 CE LYS A 32 15.930 -6.183 -12.901 1.00 0.00 C ATOM 514 NZ LYS A 32 16.419 -5.673 -11.591 1.00 0.00 N ATOM 0 H LYS A 32 13.184 -7.304 -16.484 1.00 0.00 H new ATOM 0 HA LYS A 32 12.303 -9.229 -14.742 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.882 -6.244 -14.373 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.142 -7.444 -13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.406 -7.766 -14.657 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.103 -6.051 -14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.886 -5.908 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.435 -7.570 -12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.564 -7.006 -13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.014 -5.397 -13.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.248 -5.064 -11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.666 -5.124 -11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.685 -6.474 -10.984 1.00 0.00 H new ATOM 528 N HIS A 33 9.827 -7.573 -16.070 1.00 0.00 N ATOM 529 CA HIS A 33 8.376 -7.528 -16.208 1.00 0.00 C ATOM 530 C HIS A 33 7.732 -6.909 -14.971 1.00 0.00 C ATOM 531 O HIS A 33 6.632 -7.294 -14.574 1.00 0.00 O ATOM 532 CB HIS A 33 7.820 -8.933 -16.439 1.00 0.00 C ATOM 533 CG HIS A 33 6.801 -9.002 -17.534 1.00 0.00 C ATOM 534 ND1 HIS A 33 5.572 -8.380 -17.460 1.00 0.00 N ATOM 535 CD2 HIS A 33 6.834 -9.622 -18.737 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.893 -8.617 -18.568 1.00 0.00 C ATOM 537 NE2 HIS A 33 5.637 -9.368 -19.360 1.00 0.00 N ATOM 0 H HIS A 33 10.333 -7.002 -16.747 1.00 0.00 H new ATOM 0 HA HIS A 33 8.137 -6.906 -17.070 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.644 -9.606 -16.678 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.371 -9.294 -15.513 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.650 -10.208 -19.133 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.899 -8.258 -18.789 1.00 0.00 H new ATOM 0 HE2 HIS A 33 5.366 -9.705 -20.284 1.00 0.00 H new ATOM 545 N ALA A 34 8.425 -5.951 -14.366 1.00 0.00 N ATOM 546 CA ALA A 34 7.920 -5.279 -13.175 1.00 0.00 C ATOM 547 C ALA A 34 6.595 -4.580 -13.459 1.00 0.00 C ATOM 548 O ALA A 34 5.987 -4.784 -14.510 1.00 0.00 O ATOM 549 CB ALA A 34 8.945 -4.281 -12.657 1.00 0.00 C ATOM 0 H ALA A 34 9.338 -5.622 -14.681 1.00 0.00 H new ATOM 0 HA ALA A 34 7.745 -6.034 -12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.554 -3.787 -11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.868 -4.804 -12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.148 -3.536 -13.426 1.00 0.00 H new ATOM 555 N ARG A 35 6.152 -3.754 -12.516 1.00 0.00 N ATOM 556 CA ARG A 35 4.898 -3.027 -12.664 1.00 0.00 C ATOM 557 C ARG A 35 5.104 -1.748 -13.471 1.00 0.00 C ATOM 558 O ARG A 35 4.451 -1.535 -14.493 1.00 0.00 O ATOM 559 CB ARG A 35 4.314 -2.688 -11.292 1.00 0.00 C ATOM 560 CG ARG A 35 4.286 -3.868 -10.334 1.00 0.00 C ATOM 561 CD ARG A 35 3.835 -3.447 -8.944 1.00 0.00 C ATOM 562 NE ARG A 35 2.386 -3.283 -8.865 1.00 0.00 N ATOM 563 CZ ARG A 35 1.762 -2.136 -9.111 1.00 0.00 C ATOM 564 NH1 ARG A 35 2.457 -1.059 -9.451 1.00 0.00 N ATOM 565 NH2 ARG A 35 0.440 -2.066 -9.019 1.00 0.00 N ATOM 0 H ARG A 35 6.644 -3.572 -11.641 1.00 0.00 H new ATOM 0 HA ARG A 35 4.198 -3.667 -13.201 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.898 -1.883 -10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.299 -2.312 -11.421 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.614 -4.635 -10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.279 -4.314 -10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.155 -4.194 -8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.321 -2.510 -8.674 1.00 0.00 H new ATOM 0 HE ARG A 35 1.822 -4.093 -8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.473 -1.110 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.975 -0.180 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.098 -2.893 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.038 -1.185 -9.208 1.00 0.00 H new ATOM 579 N SER A 36 6.014 -0.900 -13.003 1.00 0.00 N ATOM 580 CA SER A 36 6.303 0.360 -13.678 1.00 0.00 C ATOM 581 C SER A 36 7.807 0.567 -13.823 1.00 0.00 C ATOM 582 O SER A 36 8.302 0.866 -14.909 1.00 0.00 O ATOM 583 CB SER A 36 5.688 1.529 -12.906 1.00 0.00 C ATOM 584 OG SER A 36 6.547 1.959 -11.864 1.00 0.00 O ATOM 0 H SER A 36 6.564 -1.062 -12.159 1.00 0.00 H new ATOM 0 HA SER A 36 5.862 0.319 -14.674 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.494 2.357 -13.587 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.727 1.228 -12.489 1.00 0.00 H new ATOM 0 HG SER A 36 6.133 2.708 -11.387 1.00 0.00 H new ATOM 590 N GLY A 37 8.530 0.404 -12.719 1.00 0.00 N ATOM 591 CA GLY A 37 9.971 0.577 -12.743 1.00 0.00 C ATOM 592 C GLY A 37 10.383 2.029 -12.613 1.00 0.00 C ATOM 593 O GLY A 37 9.821 2.902 -13.273 1.00 0.00 O ATOM 0 H GLY A 37 8.144 0.155 -11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.416 0.002 -11.931 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.367 0.172 -13.674 1.00 0.00 H new ATOM 597 N GLU A 38 11.366 2.289 -11.756 1.00 0.00 N ATOM 598 CA GLU A 38 11.851 3.647 -11.540 1.00 0.00 C ATOM 599 C GLU A 38 13.272 3.635 -10.982 1.00 0.00 C ATOM 600 O GLU A 38 13.764 2.602 -10.527 1.00 0.00 O ATOM 601 CB GLU A 38 10.922 4.397 -10.583 1.00 0.00 C ATOM 602 CG GLU A 38 9.693 4.980 -11.260 1.00 0.00 C ATOM 603 CD GLU A 38 8.986 6.009 -10.399 1.00 0.00 C ATOM 604 OE1 GLU A 38 9.394 7.189 -10.429 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.025 5.635 -9.694 1.00 0.00 O ATOM 0 H GLU A 38 11.841 1.578 -11.201 1.00 0.00 H new ATOM 0 HA GLU A 38 11.861 4.160 -12.502 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.603 3.718 -9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.480 5.202 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.986 5.441 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.999 4.175 -11.501 1.00 0.00 H new ATOM 612 N CYS A 39 13.926 4.791 -11.022 1.00 0.00 N ATOM 613 CA CYS A 39 15.290 4.916 -10.523 1.00 0.00 C ATOM 614 C CYS A 39 15.333 5.781 -9.267 1.00 0.00 C ATOM 615 O CYS A 39 14.657 6.807 -9.183 1.00 0.00 O ATOM 616 CB CYS A 39 16.196 5.516 -11.600 1.00 0.00 C ATOM 617 SG CYS A 39 16.230 4.569 -13.156 1.00 0.00 S ATOM 0 H CYS A 39 13.533 5.655 -11.395 1.00 0.00 H new ATOM 0 HA CYS A 39 15.650 3.919 -10.268 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.865 6.532 -11.813 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.211 5.587 -11.208 1.00 0.00 H new ATOM 622 N PHE A 40 16.132 5.360 -8.292 1.00 0.00 N ATOM 623 CA PHE A 40 16.263 6.095 -7.040 1.00 0.00 C ATOM 624 C PHE A 40 17.645 5.885 -6.428 1.00 0.00 C ATOM 625 O PHE A 40 18.321 4.898 -6.719 1.00 0.00 O ATOM 626 CB PHE A 40 15.182 5.655 -6.050 1.00 0.00 C ATOM 627 CG PHE A 40 13.784 5.874 -6.553 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.199 7.128 -6.488 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.055 4.826 -7.091 1.00 0.00 C ATOM 630 CE1 PHE A 40 11.912 7.332 -6.949 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.768 5.024 -7.554 1.00 0.00 C ATOM 632 CZ PHE A 40 11.196 6.279 -7.484 1.00 0.00 C ATOM 0 H PHE A 40 16.698 4.513 -8.345 1.00 0.00 H new ATOM 0 HA PHE A 40 16.138 7.156 -7.256 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.317 4.597 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.313 6.200 -5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.755 7.956 -6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.498 3.843 -7.149 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.467 8.314 -6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.210 4.198 -7.970 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.191 6.437 -7.847 1.00 0.00 H new ATOM 642 N TYR A 41 18.058 6.820 -5.579 1.00 0.00 N ATOM 643 CA TYR A 41 19.360 6.740 -4.928 1.00 0.00 C ATOM 644 C TYR A 41 19.348 5.700 -3.812 1.00 0.00 C ATOM 645 O TYR A 41 18.302 5.406 -3.233 1.00 0.00 O ATOM 646 CB TYR A 41 19.756 8.105 -4.363 1.00 0.00 C ATOM 647 CG TYR A 41 20.011 9.149 -5.427 1.00 0.00 C ATOM 648 CD1 TYR A 41 18.970 9.911 -5.945 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.293 9.375 -5.913 1.00 0.00 C ATOM 650 CE1 TYR A 41 19.199 10.865 -6.917 1.00 0.00 C ATOM 651 CE2 TYR A 41 21.531 10.328 -6.884 1.00 0.00 C ATOM 652 CZ TYR A 41 20.481 11.070 -7.383 1.00 0.00 C ATOM 653 OH TYR A 41 20.713 12.021 -8.351 1.00 0.00 O ATOM 0 H TYR A 41 17.510 7.642 -5.326 1.00 0.00 H new ATOM 0 HA TYR A 41 20.093 6.437 -5.675 1.00 0.00 H new ATOM 0 HB2 TYR A 41 18.965 8.458 -3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.653 7.991 -3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.965 9.754 -5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.118 8.795 -5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.379 11.447 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 41 22.534 10.491 -7.250 1.00 0.00 H new ATOM 0 HH TYR A 41 21.673 12.212 -8.399 1.00 0.00 H new ATOM 663 N ASP A 42 20.519 5.147 -3.516 1.00 0.00 N ATOM 664 CA ASP A 42 20.646 4.140 -2.468 1.00 0.00 C ATOM 665 C ASP A 42 21.341 4.719 -1.240 1.00 0.00 C ATOM 666 O ASP A 42 21.538 5.929 -1.139 1.00 0.00 O ATOM 667 CB ASP A 42 21.423 2.929 -2.986 1.00 0.00 C ATOM 668 CG ASP A 42 22.924 3.118 -2.885 1.00 0.00 C ATOM 669 OD1 ASP A 42 23.387 4.270 -3.015 1.00 0.00 O ATOM 670 OD2 ASP A 42 23.635 2.113 -2.674 1.00 0.00 O ATOM 0 H ASP A 42 21.394 5.379 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 42 19.644 3.822 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.132 2.045 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.152 2.745 -4.026 1.00 0.00 H new ATOM 675 N GLU A 43 21.709 3.845 -0.308 1.00 0.00 N ATOM 676 CA GLU A 43 22.381 4.271 0.915 1.00 0.00 C ATOM 677 C GLU A 43 23.630 5.086 0.594 1.00 0.00 C ATOM 678 O GLU A 43 23.952 6.050 1.288 1.00 0.00 O ATOM 679 CB GLU A 43 22.756 3.056 1.766 1.00 0.00 C ATOM 680 CG GLU A 43 21.566 2.197 2.158 1.00 0.00 C ATOM 681 CD GLU A 43 21.362 2.132 3.659 1.00 0.00 C ATOM 682 OE1 GLU A 43 21.135 3.195 4.273 1.00 0.00 O ATOM 683 OE2 GLU A 43 21.431 1.018 4.220 1.00 0.00 O ATOM 0 H GLU A 43 21.554 2.839 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 43 21.692 4.901 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.470 2.443 1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.260 3.398 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.666 2.595 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.708 1.188 1.770 1.00 0.00 H new ATOM 690 N LYS A 44 24.331 4.691 -0.464 1.00 0.00 N ATOM 691 CA LYS A 44 25.545 5.384 -0.880 1.00 0.00 C ATOM 692 C LYS A 44 25.225 6.490 -1.881 1.00 0.00 C ATOM 693 O LYS A 44 26.048 6.826 -2.732 1.00 0.00 O ATOM 694 CB LYS A 44 26.536 4.394 -1.496 1.00 0.00 C ATOM 695 CG LYS A 44 27.398 3.678 -0.471 1.00 0.00 C ATOM 696 CD LYS A 44 28.820 4.214 -0.466 1.00 0.00 C ATOM 697 CE LYS A 44 29.806 3.171 0.036 1.00 0.00 C ATOM 698 NZ LYS A 44 31.201 3.693 0.059 1.00 0.00 N ATOM 0 H LYS A 44 24.079 3.894 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 44 25.995 5.837 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 44 25.984 3.653 -2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.183 4.927 -2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 44 26.960 3.796 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.412 2.610 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.097 4.523 -1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.874 5.101 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.520 2.854 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.759 2.289 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.843 2.953 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.483 3.972 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 31.252 4.519 0.688 1.00 0.00 H new ATOM 712 N ARG A 45 24.025 7.051 -1.772 1.00 0.00 N ATOM 713 CA ARG A 45 23.597 8.119 -2.667 1.00 0.00 C ATOM 714 C ARG A 45 23.846 7.739 -4.124 1.00 0.00 C ATOM 715 O ARG A 45 24.307 8.557 -4.919 1.00 0.00 O ATOM 716 CB ARG A 45 24.334 9.418 -2.335 1.00 0.00 C ATOM 717 CG ARG A 45 24.227 9.822 -0.874 1.00 0.00 C ATOM 718 CD ARG A 45 23.324 11.032 -0.694 1.00 0.00 C ATOM 719 NE ARG A 45 23.084 11.332 0.715 1.00 0.00 N ATOM 720 CZ ARG A 45 22.605 12.493 1.147 1.00 0.00 C ATOM 721 NH1 ARG A 45 22.315 13.458 0.285 1.00 0.00 N ATOM 722 NH2 ARG A 45 22.414 12.691 2.446 1.00 0.00 N ATOM 0 H ARG A 45 23.332 6.784 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 45 22.527 8.270 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.386 9.306 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 45 23.936 10.221 -2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.838 8.987 -0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.220 10.047 -0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.778 11.898 -1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.372 10.851 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 45 23.296 10.611 1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.460 13.310 -0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.947 14.348 0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.635 11.951 3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.046 13.583 2.777 1.00 0.00 H new ATOM 736 N ASN A 46 23.538 6.492 -4.466 1.00 0.00 N ATOM 737 CA ASN A 46 23.729 6.003 -5.827 1.00 0.00 C ATOM 738 C ASN A 46 22.390 5.680 -6.481 1.00 0.00 C ATOM 739 O ASN A 46 21.632 4.843 -5.989 1.00 0.00 O ATOM 740 CB ASN A 46 24.622 4.761 -5.824 1.00 0.00 C ATOM 741 CG ASN A 46 25.956 5.009 -5.147 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.491 6.117 -5.192 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.501 3.975 -4.516 1.00 0.00 N ATOM 0 H ASN A 46 23.155 5.802 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 46 24.215 6.789 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.106 3.947 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 46 24.793 4.438 -6.851 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.398 4.081 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 46 26.022 3.075 -4.504 1.00 0.00 H new ATOM 750 N LEU A 47 22.105 6.347 -7.594 1.00 0.00 N ATOM 751 CA LEU A 47 20.858 6.130 -8.318 1.00 0.00 C ATOM 752 C LEU A 47 20.880 4.795 -9.055 1.00 0.00 C ATOM 753 O LEU A 47 21.648 4.609 -9.998 1.00 0.00 O ATOM 754 CB LEU A 47 20.617 7.269 -9.311 1.00 0.00 C ATOM 755 CG LEU A 47 19.337 8.080 -9.105 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.411 9.396 -9.863 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.121 7.277 -9.543 1.00 0.00 C ATOM 0 H LEU A 47 22.721 7.043 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 47 20.045 6.110 -7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.466 7.950 -9.264 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.600 6.850 -10.317 1.00 0.00 H new ATOM 0 HG LEU A 47 19.237 8.302 -8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.491 9.959 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.259 9.977 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.535 9.196 -10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.219 7.870 -9.389 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.213 7.024 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.058 6.362 -8.955 1.00 0.00 H new ATOM 769 N GLN A 48 20.031 3.870 -8.618 1.00 0.00 N ATOM 770 CA GLN A 48 19.954 2.552 -9.237 1.00 0.00 C ATOM 771 C GLN A 48 18.575 2.317 -9.845 1.00 0.00 C ATOM 772 O GLN A 48 17.617 3.025 -9.531 1.00 0.00 O ATOM 773 CB GLN A 48 20.263 1.463 -8.209 1.00 0.00 C ATOM 774 CG GLN A 48 21.744 1.328 -7.893 1.00 0.00 C ATOM 775 CD GLN A 48 22.039 1.459 -6.412 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.587 2.467 -5.963 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.678 0.438 -5.643 1.00 0.00 N ATOM 0 H GLN A 48 19.388 4.009 -7.839 1.00 0.00 H new ATOM 0 HA GLN A 48 20.696 2.509 -10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.722 1.680 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.891 0.508 -8.580 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.100 0.360 -8.246 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.299 2.091 -8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.227 -0.378 -6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.852 0.470 -4.638 1.00 0.00 H new ATOM 786 N CYS A 49 18.480 1.318 -10.717 1.00 0.00 N ATOM 787 CA CYS A 49 17.219 0.989 -11.370 1.00 0.00 C ATOM 788 C CYS A 49 16.370 0.080 -10.486 1.00 0.00 C ATOM 789 O CYS A 49 16.478 -1.145 -10.553 1.00 0.00 O ATOM 790 CB CYS A 49 17.480 0.312 -12.716 1.00 0.00 C ATOM 791 SG CYS A 49 16.063 0.362 -13.860 1.00 0.00 S ATOM 0 H CYS A 49 19.262 0.722 -10.987 1.00 0.00 H new ATOM 0 HA CYS A 49 16.672 1.917 -11.538 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.335 0.792 -13.192 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.755 -0.728 -12.540 1.00 0.00 H new ATOM 796 N ILE A 50 15.526 0.688 -9.659 1.00 0.00 N ATOM 797 CA ILE A 50 14.658 -0.066 -8.764 1.00 0.00 C ATOM 798 C ILE A 50 13.321 -0.380 -9.429 1.00 0.00 C ATOM 799 O ILE A 50 12.539 0.522 -9.732 1.00 0.00 O ATOM 800 CB ILE A 50 14.399 0.700 -7.453 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.669 0.740 -6.602 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.257 0.056 -6.681 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.055 2.134 -6.158 1.00 0.00 C ATOM 0 H ILE A 50 15.425 1.701 -9.591 1.00 0.00 H new ATOM 0 HA ILE A 50 15.175 -0.998 -8.535 1.00 0.00 H new ATOM 0 HB ILE A 50 14.115 1.724 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.527 0.113 -5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.492 0.308 -7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.086 0.608 -5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.352 0.074 -7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.514 -0.976 -6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.964 2.086 -5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.230 2.759 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.249 2.562 -5.561 1.00 0.00 H new ATOM 815 N CYS A 51 13.065 -1.664 -9.652 1.00 0.00 N ATOM 816 CA CYS A 51 11.823 -2.098 -10.280 1.00 0.00 C ATOM 817 C CYS A 51 10.776 -2.452 -9.228 1.00 0.00 C ATOM 818 O CYS A 51 11.091 -2.590 -8.046 1.00 0.00 O ATOM 819 CB CYS A 51 12.079 -3.305 -11.185 1.00 0.00 C ATOM 820 SG CYS A 51 13.541 -3.132 -12.258 1.00 0.00 S ATOM 0 H CYS A 51 13.701 -2.423 -9.407 1.00 0.00 H new ATOM 0 HA CYS A 51 11.443 -1.273 -10.883 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.200 -4.192 -10.564 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.201 -3.471 -11.809 1.00 0.00 H new ATOM 825 N ASP A 52 9.530 -2.597 -9.666 1.00 0.00 N ATOM 826 CA ASP A 52 8.436 -2.935 -8.763 1.00 0.00 C ATOM 827 C ASP A 52 7.974 -4.372 -8.984 1.00 0.00 C ATOM 828 O ASP A 52 7.559 -4.739 -10.084 1.00 0.00 O ATOM 829 CB ASP A 52 7.265 -1.972 -8.963 1.00 0.00 C ATOM 830 CG ASP A 52 6.466 -1.761 -7.692 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.416 -2.691 -6.860 1.00 0.00 O ATOM 832 OD2 ASP A 52 5.890 -0.665 -7.529 1.00 0.00 O ATOM 0 H ASP A 52 9.252 -2.486 -10.641 1.00 0.00 H new ATOM 0 HA ASP A 52 8.800 -2.843 -7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.644 -1.012 -9.314 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.608 -2.360 -9.742 1.00 0.00 H new ATOM 837 N TYR A 53 8.049 -5.180 -7.933 1.00 0.00 N ATOM 838 CA TYR A 53 7.641 -6.578 -8.013 1.00 0.00 C ATOM 839 C TYR A 53 6.500 -6.869 -7.043 1.00 0.00 C ATOM 840 O TYR A 53 6.697 -6.908 -5.828 1.00 0.00 O ATOM 841 CB TYR A 53 8.828 -7.495 -7.712 1.00 0.00 C ATOM 842 CG TYR A 53 9.516 -8.021 -8.951 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.505 -7.280 -9.587 1.00 0.00 C ATOM 844 CD2 TYR A 53 9.178 -9.257 -9.487 1.00 0.00 C ATOM 845 CE1 TYR A 53 11.136 -7.756 -10.720 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.805 -9.742 -10.618 1.00 0.00 C ATOM 847 CZ TYR A 53 10.783 -8.987 -11.231 1.00 0.00 C ATOM 848 OH TYR A 53 11.410 -9.466 -12.360 1.00 0.00 O ATOM 0 H TYR A 53 8.388 -4.891 -7.015 1.00 0.00 H new ATOM 0 HA TYR A 53 7.289 -6.770 -9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.553 -6.950 -7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.483 -8.338 -7.113 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.785 -6.316 -9.189 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.411 -9.850 -9.011 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.902 -7.167 -11.203 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.531 -10.706 -11.020 1.00 0.00 H new ATOM 0 HH TYR A 53 10.741 -9.656 -13.050 1.00 0.00 H new ATOM 858 N CYS A 54 5.306 -7.073 -7.589 1.00 0.00 N ATOM 859 CA CYS A 54 4.131 -7.361 -6.775 1.00 0.00 C ATOM 860 C CYS A 54 2.957 -7.793 -7.648 1.00 0.00 C ATOM 861 O CYS A 54 2.390 -8.868 -7.456 1.00 0.00 O ATOM 862 CB CYS A 54 3.744 -6.133 -5.950 1.00 0.00 C ATOM 863 SG CYS A 54 4.199 -6.246 -4.189 1.00 0.00 S ATOM 0 H CYS A 54 5.126 -7.044 -8.593 1.00 0.00 H new ATOM 0 HA CYS A 54 4.379 -8.180 -6.100 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.221 -5.253 -6.382 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.667 -5.981 -6.027 1.00 0.00 H new