USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 TYR OH : rot -156:sc= -0.641 USER MOD Set 1.2: A 11 TYR OH : rot 1:sc= -0.815 USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= -2.48 (180deg=-2.54) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0409 (180deg=-0.511) USER MOD Single : A 10 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= -0.0469 (180deg=-0.375) USER MOD Single : A 17 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.5!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 21 GLN : amide:sc= -4.2! C(o=-4.2!,f=-9.5!) USER MOD Single : A 23 ASN : amide:sc= -2.94! C(o=-2.9!,f=-9.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2! K(o=-2!,f=-0.98) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.154 (180deg=-1.46) USER MOD Single : A 44 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.4!) USER MOD Single : A 46 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= -3.27 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N CYS A 4 91.272 -14.395 -51.515 1.00 0.00 N ATOM 36 CA CYS A 4 91.578 -15.120 -50.287 1.00 0.00 C ATOM 37 C CYS A 4 90.419 -15.041 -49.305 1.00 0.00 C ATOM 38 O CYS A 4 90.245 -15.914 -48.455 1.00 0.00 O ATOM 39 CB CYS A 4 92.802 -14.504 -49.608 1.00 0.00 C ATOM 40 SG CYS A 4 94.187 -14.474 -50.773 1.00 0.00 S ATOM 0 HA CYS A 4 91.765 -16.159 -50.557 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.574 -13.493 -49.271 1.00 0.00 H new ATOM 0 HB3 CYS A 4 93.070 -15.082 -48.723 1.00 0.00 H new ATOM 45 N LYS A 5 89.644 -13.966 -49.408 1.00 0.00 N ATOM 46 CA LYS A 5 88.518 -13.760 -48.505 1.00 0.00 C ATOM 47 C LYS A 5 87.300 -14.546 -48.979 1.00 0.00 C ATOM 48 O LYS A 5 86.760 -14.285 -50.054 1.00 0.00 O ATOM 49 CB LYS A 5 88.172 -12.271 -48.435 1.00 0.00 C ATOM 50 CG LYS A 5 89.458 -11.445 -48.495 1.00 0.00 C ATOM 51 CD LYS A 5 90.379 -11.851 -47.342 1.00 0.00 C ATOM 52 CE LYS A 5 91.576 -10.899 -47.285 1.00 0.00 C ATOM 53 NZ LYS A 5 91.096 -9.514 -47.013 1.00 0.00 N ATOM 0 H LYS A 5 89.773 -13.230 -50.102 1.00 0.00 H new ATOM 0 HA LYS A 5 88.801 -14.115 -47.514 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.514 -12.000 -49.261 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.631 -12.055 -47.513 1.00 0.00 H new ATOM 0 HG2 LYS A 5 89.961 -11.603 -49.449 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.224 -10.382 -48.431 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.833 -11.822 -46.399 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.722 -12.876 -47.481 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.269 -11.215 -46.505 1.00 0.00 H new ATOM 0 HE3 LYS A 5 92.122 -10.928 -48.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.912 -8.882 -46.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 90.519 -9.183 -47.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 90.521 -9.510 -46.146 1.00 0.00 H new ATOM 67 N LYS A 6 86.873 -15.511 -48.170 1.00 0.00 N ATOM 68 CA LYS A 6 85.708 -16.320 -48.510 1.00 0.00 C ATOM 69 C LYS A 6 84.662 -16.243 -47.402 1.00 0.00 C ATOM 70 O LYS A 6 84.995 -16.274 -46.218 1.00 0.00 O ATOM 71 CB LYS A 6 86.127 -17.776 -48.719 1.00 0.00 C ATOM 72 CG LYS A 6 87.077 -17.868 -49.916 1.00 0.00 C ATOM 73 CD LYS A 6 87.324 -19.338 -50.261 1.00 0.00 C ATOM 74 CE LYS A 6 88.435 -19.437 -51.308 1.00 0.00 C ATOM 75 NZ LYS A 6 88.099 -18.569 -52.472 1.00 0.00 N ATOM 0 H LYS A 6 87.312 -15.750 -47.281 1.00 0.00 H new ATOM 0 HA LYS A 6 85.274 -15.931 -49.431 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.617 -18.157 -47.823 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.248 -18.397 -48.890 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.649 -17.349 -50.774 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.021 -17.375 -49.683 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.604 -19.891 -49.364 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.409 -19.792 -50.642 1.00 0.00 H new ATOM 0 HE2 LYS A 6 89.387 -19.130 -50.874 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.552 -20.471 -51.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 88.681 -18.843 -53.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 87.093 -18.682 -52.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 88.288 -17.575 -52.230 1.00 0.00 H new ATOM 89 N VAL A 7 83.396 -16.142 -47.796 1.00 0.00 N ATOM 90 CA VAL A 7 82.312 -16.035 -46.826 1.00 0.00 C ATOM 91 C VAL A 7 81.440 -17.286 -46.855 1.00 0.00 C ATOM 92 O VAL A 7 80.995 -17.720 -47.917 1.00 0.00 O ATOM 93 CB VAL A 7 81.455 -14.806 -47.133 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.780 -14.981 -48.495 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.384 -14.651 -46.051 1.00 0.00 C ATOM 0 H VAL A 7 83.097 -16.132 -48.771 1.00 0.00 H new ATOM 0 HA VAL A 7 82.749 -15.934 -45.832 1.00 0.00 H new ATOM 0 HB VAL A 7 82.087 -13.918 -47.152 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.169 -14.105 -48.714 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.542 -15.094 -49.267 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.148 -15.869 -48.476 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.772 -13.776 -46.268 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.753 -15.540 -46.034 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.863 -14.527 -45.080 1.00 0.00 H new ATOM 105 N TYR A 8 81.198 -17.860 -45.680 1.00 0.00 N ATOM 106 CA TYR A 8 80.326 -19.025 -45.575 1.00 0.00 C ATOM 107 C TYR A 8 79.449 -18.925 -44.331 1.00 0.00 C ATOM 108 O TYR A 8 79.944 -18.968 -43.205 1.00 0.00 O ATOM 109 CB TYR A 8 81.166 -20.302 -45.511 1.00 0.00 C ATOM 110 CG TYR A 8 81.650 -20.518 -44.097 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.862 -19.956 -43.678 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.888 -21.283 -43.205 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.312 -20.158 -42.368 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.338 -21.484 -41.895 1.00 0.00 C ATOM 115 CZ TYR A 8 82.550 -20.922 -41.476 1.00 0.00 C ATOM 116 OH TYR A 8 82.993 -21.121 -40.184 1.00 0.00 O ATOM 0 H TYR A 8 81.590 -17.541 -44.794 1.00 0.00 H new ATOM 0 HA TYR A 8 79.685 -19.058 -46.456 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.573 -21.156 -45.838 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.016 -20.225 -46.189 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.450 -19.366 -44.366 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.954 -21.718 -43.528 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.247 -19.724 -42.045 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.750 -22.073 -41.207 1.00 0.00 H new ATOM 0 HH TYR A 8 82.592 -21.939 -39.823 1.00 0.00 H new ATOM 126 N GLU A 9 78.144 -18.790 -44.544 1.00 0.00 N ATOM 127 CA GLU A 9 77.214 -18.602 -43.437 1.00 0.00 C ATOM 128 C GLU A 9 77.120 -19.868 -42.590 1.00 0.00 C ATOM 129 O GLU A 9 77.810 -20.001 -41.580 1.00 0.00 O ATOM 130 CB GLU A 9 75.828 -18.243 -43.976 1.00 0.00 C ATOM 131 CG GLU A 9 75.941 -17.041 -44.916 1.00 0.00 C ATOM 132 CD GLU A 9 74.554 -16.606 -45.375 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.611 -17.339 -45.125 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.454 -15.545 -45.970 1.00 0.00 O ATOM 0 H GLU A 9 77.709 -18.807 -45.466 1.00 0.00 H new ATOM 0 HA GLU A 9 77.584 -17.789 -42.812 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.401 -19.094 -44.507 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.154 -18.011 -43.151 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.440 -16.216 -44.407 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.554 -17.300 -45.779 1.00 0.00 H new ATOM 141 N ASN A 10 76.260 -20.791 -43.007 1.00 0.00 N ATOM 142 CA ASN A 10 76.013 -21.998 -42.226 1.00 0.00 C ATOM 143 C ASN A 10 75.445 -21.636 -40.858 1.00 0.00 C ATOM 144 O ASN A 10 74.356 -22.075 -40.490 1.00 0.00 O ATOM 145 CB ASN A 10 77.314 -22.783 -42.049 1.00 0.00 C ATOM 146 CG ASN A 10 77.804 -23.289 -43.401 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.102 -23.165 -44.404 1.00 0.00 O ATOM 148 ND2 ASN A 10 78.976 -23.857 -43.488 1.00 0.00 N ATOM 0 H ASN A 10 75.726 -20.728 -43.874 1.00 0.00 H new ATOM 0 HA ASN A 10 75.290 -22.615 -42.760 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.073 -22.148 -41.592 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.153 -23.623 -41.373 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.311 -24.199 -44.389 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.556 -23.959 -42.655 1.00 0.00 H new ATOM 155 N TYR A 11 76.192 -20.829 -40.111 1.00 0.00 N ATOM 156 CA TYR A 11 75.706 -20.313 -38.837 1.00 0.00 C ATOM 157 C TYR A 11 75.694 -18.788 -38.852 1.00 0.00 C ATOM 158 O TYR A 11 76.740 -18.146 -38.763 1.00 0.00 O ATOM 159 CB TYR A 11 76.598 -20.809 -37.697 1.00 0.00 C ATOM 160 CG TYR A 11 77.998 -20.274 -37.882 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.348 -19.030 -37.344 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.946 -21.023 -38.590 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.646 -18.535 -37.515 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.244 -20.527 -38.760 1.00 0.00 C ATOM 165 CZ TYR A 11 80.594 -19.283 -38.223 1.00 0.00 C ATOM 166 OH TYR A 11 81.874 -18.795 -38.391 1.00 0.00 O ATOM 0 H TYR A 11 77.131 -20.520 -40.364 1.00 0.00 H new ATOM 0 HA TYR A 11 74.689 -20.673 -38.682 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.196 -20.482 -36.738 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.613 -21.899 -37.681 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.617 -18.453 -36.797 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.676 -21.983 -39.005 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.916 -17.575 -37.100 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.975 -21.105 -39.306 1.00 0.00 H new ATOM 0 HH TYR A 11 81.955 -17.927 -37.943 1.00 0.00 H new ATOM 176 N PRO A 12 74.531 -18.208 -38.968 1.00 0.00 N ATOM 177 CA PRO A 12 74.366 -16.732 -39.056 1.00 0.00 C ATOM 178 C PRO A 12 75.161 -15.993 -37.982 1.00 0.00 C ATOM 179 O PRO A 12 75.896 -16.605 -37.208 1.00 0.00 O ATOM 180 CB PRO A 12 72.825 -16.502 -38.892 1.00 0.00 C ATOM 181 CG PRO A 12 72.226 -17.793 -39.350 1.00 0.00 C ATOM 182 CD PRO A 12 73.236 -18.902 -39.027 1.00 0.00 C ATOM 0 HA PRO A 12 74.749 -16.339 -39.998 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.560 -16.282 -37.858 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.478 -15.663 -39.495 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.278 -17.977 -38.845 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.017 -17.762 -40.419 1.00 0.00 H new ATOM 0 HD2 PRO A 12 73.002 -19.389 -38.080 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.235 -19.677 -39.793 1.00 0.00 H new ATOM 190 N VAL A 13 75.006 -14.674 -37.945 1.00 0.00 N ATOM 191 CA VAL A 13 75.752 -13.852 -36.999 1.00 0.00 C ATOM 192 C VAL A 13 75.630 -14.414 -35.587 1.00 0.00 C ATOM 193 O VAL A 13 76.328 -13.978 -34.672 1.00 0.00 O ATOM 194 CB VAL A 13 75.224 -12.417 -37.028 1.00 0.00 C ATOM 195 CG1 VAL A 13 74.765 -12.070 -38.445 1.00 0.00 C ATOM 196 CG2 VAL A 13 74.042 -12.289 -36.064 1.00 0.00 C ATOM 0 H VAL A 13 74.375 -14.154 -38.555 1.00 0.00 H new ATOM 0 HA VAL A 13 76.803 -13.859 -37.289 1.00 0.00 H new ATOM 0 HB VAL A 13 76.017 -11.733 -36.725 1.00 0.00 H new ATOM 0 HG11 VAL A 13 74.389 -11.047 -38.465 1.00 0.00 H new ATOM 0 HG12 VAL A 13 75.606 -12.161 -39.132 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.973 -12.754 -38.749 1.00 0.00 H new ATOM 0 HG21 VAL A 13 73.665 -11.266 -36.084 1.00 0.00 H new ATOM 0 HG22 VAL A 13 73.250 -12.974 -36.367 1.00 0.00 H new ATOM 0 HG23 VAL A 13 74.368 -12.536 -35.054 1.00 0.00 H new ATOM 206 N SER A 14 74.738 -15.385 -35.418 1.00 0.00 N ATOM 207 CA SER A 14 74.499 -15.969 -34.103 1.00 0.00 C ATOM 208 C SER A 14 75.814 -16.156 -33.354 1.00 0.00 C ATOM 209 O SER A 14 75.936 -15.773 -32.191 1.00 0.00 O ATOM 210 CB SER A 14 73.796 -17.318 -34.252 1.00 0.00 C ATOM 211 OG SER A 14 72.598 -17.144 -34.996 1.00 0.00 O ATOM 0 H SER A 14 74.173 -15.782 -36.169 1.00 0.00 H new ATOM 0 HA SER A 14 73.864 -15.291 -33.533 1.00 0.00 H new ATOM 0 HB2 SER A 14 74.451 -18.028 -34.756 1.00 0.00 H new ATOM 0 HB3 SER A 14 73.571 -17.734 -33.270 1.00 0.00 H new ATOM 0 HG SER A 14 72.146 -18.008 -35.095 1.00 0.00 H new ATOM 217 N LYS A 15 76.795 -16.746 -34.029 1.00 0.00 N ATOM 218 CA LYS A 15 78.097 -16.981 -33.416 1.00 0.00 C ATOM 219 C LYS A 15 78.971 -15.736 -33.527 1.00 0.00 C ATOM 220 O LYS A 15 79.744 -15.425 -32.621 1.00 0.00 O ATOM 221 CB LYS A 15 78.793 -18.158 -34.100 1.00 0.00 C ATOM 222 CG LYS A 15 77.933 -19.415 -33.956 1.00 0.00 C ATOM 223 CD LYS A 15 78.750 -20.643 -34.365 1.00 0.00 C ATOM 224 CE LYS A 15 77.862 -21.887 -34.319 1.00 0.00 C ATOM 225 NZ LYS A 15 77.397 -22.114 -32.921 1.00 0.00 N ATOM 0 H LYS A 15 76.715 -17.068 -34.993 1.00 0.00 H new ATOM 0 HA LYS A 15 77.945 -17.214 -32.362 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.956 -17.935 -35.154 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.774 -18.323 -33.654 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.592 -19.519 -32.926 1.00 0.00 H new ATOM 0 HG3 LYS A 15 77.043 -19.333 -34.580 1.00 0.00 H new ATOM 0 HD2 LYS A 15 79.152 -20.507 -35.369 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.601 -20.766 -33.695 1.00 0.00 H new ATOM 0 HE2 LYS A 15 77.006 -21.761 -34.982 1.00 0.00 H new ATOM 0 HE3 LYS A 15 78.416 -22.756 -34.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 77.030 -23.083 -32.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 78.193 -21.983 -32.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 76.643 -21.435 -32.691 1.00 0.00 H new ATOM 239 N CYS A 16 78.841 -15.028 -34.644 1.00 0.00 N ATOM 240 CA CYS A 16 79.660 -13.845 -34.886 1.00 0.00 C ATOM 241 C CYS A 16 79.590 -12.892 -33.697 1.00 0.00 C ATOM 242 O CYS A 16 80.287 -11.878 -33.661 1.00 0.00 O ATOM 243 CB CYS A 16 79.178 -13.126 -36.148 1.00 0.00 C ATOM 244 SG CYS A 16 80.259 -11.715 -36.488 1.00 0.00 S ATOM 0 H CYS A 16 78.182 -15.250 -35.391 1.00 0.00 H new ATOM 0 HA CYS A 16 80.694 -14.163 -35.021 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.181 -13.813 -36.994 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.150 -12.787 -36.016 1.00 0.00 H new ATOM 249 N GLN A 17 78.745 -13.225 -32.726 1.00 0.00 N ATOM 250 CA GLN A 17 78.606 -12.398 -31.533 1.00 0.00 C ATOM 251 C GLN A 17 79.953 -12.233 -30.837 1.00 0.00 C ATOM 252 O GLN A 17 80.168 -11.274 -30.097 1.00 0.00 O ATOM 253 CB GLN A 17 77.605 -13.037 -30.568 1.00 0.00 C ATOM 254 CG GLN A 17 76.226 -13.097 -31.228 1.00 0.00 C ATOM 255 CD GLN A 17 75.622 -11.698 -31.302 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.887 -10.861 -30.440 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.821 -11.395 -32.287 1.00 0.00 N ATOM 0 H GLN A 17 78.151 -14.054 -32.741 1.00 0.00 H new ATOM 0 HA GLN A 17 78.242 -11.416 -31.834 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.934 -14.040 -30.298 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.553 -12.459 -29.645 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.311 -13.519 -32.229 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.570 -13.756 -30.659 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.603 -12.091 -33.000 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.413 -10.462 -32.344 1.00 0.00 H new ATOM 266 N LEU A 18 80.857 -13.176 -31.082 1.00 0.00 N ATOM 267 CA LEU A 18 82.196 -13.106 -30.507 1.00 0.00 C ATOM 268 C LEU A 18 83.253 -13.217 -31.601 1.00 0.00 C ATOM 269 O LEU A 18 83.362 -14.245 -32.270 1.00 0.00 O ATOM 270 CB LEU A 18 82.390 -14.234 -29.492 1.00 0.00 C ATOM 271 CG LEU A 18 81.333 -14.121 -28.393 1.00 0.00 C ATOM 272 CD1 LEU A 18 81.040 -15.509 -27.822 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.854 -13.211 -27.278 1.00 0.00 C ATOM 0 H LEU A 18 80.689 -13.992 -31.670 1.00 0.00 H new ATOM 0 HA LEU A 18 82.306 -12.145 -30.005 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.311 -15.201 -29.988 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.388 -14.179 -29.058 1.00 0.00 H new ATOM 0 HG LEU A 18 80.418 -13.700 -28.810 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.286 -15.428 -27.039 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.670 -16.158 -28.616 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.954 -15.931 -27.404 1.00 0.00 H new ATOM 0 HD21 LEU A 18 81.102 -13.129 -26.494 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.768 -13.633 -26.861 1.00 0.00 H new ATOM 0 HD23 LEU A 18 82.064 -12.221 -27.684 1.00 0.00 H new ATOM 285 N ALA A 19 84.031 -12.154 -31.777 1.00 0.00 N ATOM 286 CA ALA A 19 85.055 -12.135 -32.815 1.00 0.00 C ATOM 287 C ALA A 19 85.963 -13.354 -32.692 1.00 0.00 C ATOM 288 O ALA A 19 86.725 -13.667 -33.607 1.00 0.00 O ATOM 289 CB ALA A 19 85.891 -10.859 -32.702 1.00 0.00 C ATOM 0 H ALA A 19 83.973 -11.302 -31.220 1.00 0.00 H new ATOM 0 HA ALA A 19 84.562 -12.159 -33.787 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.653 -10.853 -33.481 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.245 -9.989 -32.820 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.371 -10.824 -31.724 1.00 0.00 H new ATOM 295 N ASN A 20 85.876 -14.038 -31.556 1.00 0.00 N ATOM 296 CA ASN A 20 86.704 -15.215 -31.318 1.00 0.00 C ATOM 297 C ASN A 20 86.023 -16.468 -31.859 1.00 0.00 C ATOM 298 O ASN A 20 86.656 -17.513 -32.012 1.00 0.00 O ATOM 299 CB ASN A 20 86.962 -15.378 -29.819 1.00 0.00 C ATOM 300 CG ASN A 20 87.461 -14.064 -29.229 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.274 -13.375 -29.846 1.00 0.00 O ATOM 302 ND2 ASN A 20 87.021 -13.673 -28.064 1.00 0.00 N ATOM 0 H ASN A 20 85.245 -13.800 -30.791 1.00 0.00 H new ATOM 0 HA ASN A 20 87.653 -15.079 -31.837 1.00 0.00 H new ATOM 0 HB2 ASN A 20 86.046 -15.687 -29.316 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.699 -16.164 -29.652 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.351 -12.795 -27.663 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.348 -14.245 -27.555 1.00 0.00 H new ATOM 309 N GLN A 21 84.730 -16.356 -32.147 1.00 0.00 N ATOM 310 CA GLN A 21 83.966 -17.498 -32.637 1.00 0.00 C ATOM 311 C GLN A 21 84.246 -17.733 -34.118 1.00 0.00 C ATOM 312 O GLN A 21 84.543 -18.854 -34.533 1.00 0.00 O ATOM 313 CB GLN A 21 82.470 -17.253 -32.431 1.00 0.00 C ATOM 314 CG GLN A 21 81.802 -18.547 -31.961 1.00 0.00 C ATOM 315 CD GLN A 21 81.919 -19.617 -33.040 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.904 -19.303 -34.231 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.037 -20.870 -32.695 1.00 0.00 N ATOM 0 H GLN A 21 84.193 -15.494 -32.051 1.00 0.00 H new ATOM 0 HA GLN A 21 84.269 -18.382 -32.076 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.318 -16.464 -31.694 1.00 0.00 H new ATOM 0 HB3 GLN A 21 82.015 -16.913 -33.361 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.271 -18.894 -31.041 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.752 -18.362 -31.733 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.049 -21.128 -31.708 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.117 -21.591 -33.412 1.00 0.00 H new ATOM 326 N CYS A 22 84.149 -16.671 -34.910 1.00 0.00 N ATOM 327 CA CYS A 22 84.378 -16.777 -36.346 1.00 0.00 C ATOM 328 C CYS A 22 85.684 -17.515 -36.626 1.00 0.00 C ATOM 329 O CYS A 22 85.690 -18.565 -37.268 1.00 0.00 O ATOM 330 CB CYS A 22 84.433 -15.383 -36.972 1.00 0.00 C ATOM 331 SG CYS A 22 82.758 -14.710 -37.098 1.00 0.00 S ATOM 0 H CYS A 22 83.915 -15.733 -34.585 1.00 0.00 H new ATOM 0 HA CYS A 22 83.554 -17.339 -36.786 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.056 -14.725 -36.366 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.891 -15.434 -37.960 1.00 0.00 H new ATOM 336 N ASN A 23 86.788 -16.958 -36.140 1.00 0.00 N ATOM 337 CA ASN A 23 88.095 -17.571 -36.344 1.00 0.00 C ATOM 338 C ASN A 23 88.034 -19.070 -36.067 1.00 0.00 C ATOM 339 O ASN A 23 88.487 -19.880 -36.876 1.00 0.00 O ATOM 340 CB ASN A 23 89.127 -16.921 -35.421 1.00 0.00 C ATOM 341 CG ASN A 23 88.748 -15.469 -35.156 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.967 -14.883 -35.907 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.257 -14.848 -34.127 1.00 0.00 N ATOM 0 H ASN A 23 86.804 -16.089 -35.606 1.00 0.00 H new ATOM 0 HA ASN A 23 88.389 -17.417 -37.382 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.182 -17.469 -34.480 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.116 -16.970 -35.876 1.00 0.00 H new ATOM 0 HD21 ASN A 23 89.008 -13.876 -33.944 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.904 -15.335 -33.506 1.00 0.00 H new ATOM 350 N TYR A 24 87.472 -19.431 -34.918 1.00 0.00 N ATOM 351 CA TYR A 24 87.342 -20.837 -34.551 1.00 0.00 C ATOM 352 C TYR A 24 86.646 -21.619 -35.661 1.00 0.00 C ATOM 353 O TYR A 24 87.212 -22.559 -36.219 1.00 0.00 O ATOM 354 CB TYR A 24 86.541 -20.965 -33.254 1.00 0.00 C ATOM 355 CG TYR A 24 87.486 -20.964 -32.077 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.337 -19.873 -31.864 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.511 -22.054 -31.198 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.214 -19.872 -30.772 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.388 -22.053 -30.106 1.00 0.00 C ATOM 360 CZ TYR A 24 89.239 -20.962 -29.893 1.00 0.00 C ATOM 361 OH TYR A 24 90.104 -20.961 -28.817 1.00 0.00 O ATOM 0 H TYR A 24 87.102 -18.776 -34.230 1.00 0.00 H new ATOM 0 HA TYR A 24 88.340 -21.249 -34.404 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.834 -20.140 -33.167 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.957 -21.885 -33.264 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.317 -19.032 -32.542 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.854 -22.895 -31.362 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.871 -19.031 -30.608 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.408 -22.894 -29.428 1.00 0.00 H new ATOM 0 HH TYR A 24 89.993 -21.791 -28.307 1.00 0.00 H new ATOM 371 N ASP A 25 85.417 -21.225 -35.976 1.00 0.00 N ATOM 372 CA ASP A 25 84.659 -21.889 -37.031 1.00 0.00 C ATOM 373 C ASP A 25 85.361 -21.732 -38.376 1.00 0.00 C ATOM 374 O ASP A 25 85.466 -22.686 -39.147 1.00 0.00 O ATOM 375 CB ASP A 25 83.252 -21.294 -37.116 1.00 0.00 C ATOM 376 CG ASP A 25 82.476 -21.605 -35.841 1.00 0.00 C ATOM 377 OD1 ASP A 25 82.986 -22.361 -35.030 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.384 -21.083 -35.693 1.00 0.00 O ATOM 0 H ASP A 25 84.927 -20.455 -35.520 1.00 0.00 H new ATOM 0 HA ASP A 25 84.592 -22.950 -36.791 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.313 -20.215 -37.261 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.727 -21.702 -37.980 1.00 0.00 H new ATOM 383 N CYS A 26 85.838 -20.523 -38.652 1.00 0.00 N ATOM 384 CA CYS A 26 86.526 -20.253 -39.910 1.00 0.00 C ATOM 385 C CYS A 26 87.789 -21.101 -40.024 1.00 0.00 C ATOM 386 O CYS A 26 88.168 -21.524 -41.116 1.00 0.00 O ATOM 387 CB CYS A 26 86.895 -18.771 -39.995 1.00 0.00 C ATOM 388 SG CYS A 26 86.210 -18.066 -41.515 1.00 0.00 S ATOM 0 H CYS A 26 85.762 -19.720 -38.028 1.00 0.00 H new ATOM 0 HA CYS A 26 85.856 -20.509 -40.731 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.507 -18.238 -39.127 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.979 -18.654 -39.983 1.00 0.00 H new ATOM 393 N LYS A 27 88.437 -21.346 -38.889 1.00 0.00 N ATOM 394 CA LYS A 27 89.657 -22.144 -38.875 1.00 0.00 C ATOM 395 C LYS A 27 89.324 -23.632 -38.909 1.00 0.00 C ATOM 396 O LYS A 27 90.037 -24.424 -39.525 1.00 0.00 O ATOM 397 CB LYS A 27 90.473 -21.830 -37.620 1.00 0.00 C ATOM 398 CG LYS A 27 91.059 -20.421 -37.731 1.00 0.00 C ATOM 399 CD LYS A 27 91.350 -19.876 -36.331 1.00 0.00 C ATOM 400 CE LYS A 27 92.455 -20.709 -35.678 1.00 0.00 C ATOM 401 NZ LYS A 27 92.935 -20.018 -34.448 1.00 0.00 N ATOM 0 H LYS A 27 88.140 -21.006 -37.974 1.00 0.00 H new ATOM 0 HA LYS A 27 90.242 -21.894 -39.760 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.841 -21.904 -36.735 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.274 -22.560 -37.502 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.975 -20.442 -38.322 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.360 -19.765 -38.250 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.655 -18.831 -36.392 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.447 -19.909 -35.722 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.078 -21.701 -35.428 1.00 0.00 H new ATOM 0 HE3 LYS A 27 93.281 -20.849 -36.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 93.686 -20.583 -34.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.310 -19.081 -34.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 92.145 -19.907 -33.781 1.00 0.00 H new ATOM 415 N LEU A 28 88.235 -24.005 -38.244 1.00 0.00 N ATOM 416 CA LEU A 28 87.828 -25.404 -38.188 1.00 0.00 C ATOM 417 C LEU A 28 87.015 -25.775 -39.424 1.00 0.00 C ATOM 418 O LEU A 28 86.953 -26.942 -39.810 1.00 0.00 O ATOM 419 CB LEU A 28 86.993 -25.654 -36.930 1.00 0.00 C ATOM 420 CG LEU A 28 87.820 -25.305 -35.692 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.884 -25.007 -34.519 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.723 -26.487 -35.334 1.00 0.00 C ATOM 0 H LEU A 28 87.623 -23.363 -37.740 1.00 0.00 H new ATOM 0 HA LEU A 28 88.724 -26.024 -38.158 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.086 -25.050 -36.957 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.680 -26.697 -36.889 1.00 0.00 H new ATOM 0 HG LEU A 28 88.432 -24.428 -35.900 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.474 -24.758 -33.637 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.239 -24.166 -34.773 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.271 -25.884 -34.310 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.313 -26.240 -34.452 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.110 -27.364 -35.126 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.390 -26.701 -36.169 1.00 0.00 H new ATOM 434 N ASP A 29 86.395 -24.774 -40.041 1.00 0.00 N ATOM 435 CA ASP A 29 85.535 -25.016 -41.194 1.00 0.00 C ATOM 436 C ASP A 29 86.341 -24.942 -42.487 1.00 0.00 C ATOM 437 O ASP A 29 86.438 -25.922 -43.226 1.00 0.00 O ATOM 438 CB ASP A 29 84.410 -23.980 -41.232 1.00 0.00 C ATOM 439 CG ASP A 29 83.512 -24.139 -40.010 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.806 -24.994 -39.191 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.543 -23.404 -39.911 1.00 0.00 O ATOM 0 H ASP A 29 86.471 -23.795 -39.765 1.00 0.00 H new ATOM 0 HA ASP A 29 85.107 -26.014 -41.102 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.831 -22.975 -41.256 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.823 -24.101 -42.143 1.00 0.00 H new ATOM 446 N LYS A 30 86.918 -23.775 -42.753 1.00 0.00 N ATOM 447 CA LYS A 30 87.644 -23.559 -43.999 1.00 0.00 C ATOM 448 C LYS A 30 89.134 -23.382 -43.726 1.00 0.00 C ATOM 449 O LYS A 30 89.932 -23.234 -44.652 1.00 0.00 O ATOM 450 CB LYS A 30 87.101 -22.318 -44.712 1.00 0.00 C ATOM 451 CG LYS A 30 85.576 -22.285 -44.590 1.00 0.00 C ATOM 452 CD LYS A 30 84.980 -23.500 -45.303 1.00 0.00 C ATOM 453 CE LYS A 30 83.461 -23.342 -45.401 1.00 0.00 C ATOM 454 NZ LYS A 30 82.894 -24.468 -46.195 1.00 0.00 N ATOM 0 H LYS A 30 86.898 -22.970 -42.128 1.00 0.00 H new ATOM 0 HA LYS A 30 87.504 -24.432 -44.636 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.531 -21.417 -44.274 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.392 -22.333 -45.762 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.285 -22.287 -43.540 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.186 -21.366 -45.027 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.411 -23.597 -46.299 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.227 -24.411 -44.759 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.021 -23.329 -44.404 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.213 -22.390 -45.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.862 -24.361 -46.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.305 -24.461 -47.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.119 -25.370 -45.728 1.00 0.00 H new ATOM 468 N HIS A 31 89.502 -23.399 -42.449 1.00 0.00 N ATOM 469 CA HIS A 31 90.901 -23.251 -42.064 1.00 0.00 C ATOM 470 C HIS A 31 91.406 -21.852 -42.402 1.00 0.00 C ATOM 471 O HIS A 31 92.337 -21.692 -43.192 1.00 0.00 O ATOM 472 CB HIS A 31 91.756 -24.292 -42.788 1.00 0.00 C ATOM 473 CG HIS A 31 91.034 -25.611 -42.804 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.170 -26.541 -41.786 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.166 -26.171 -43.709 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.403 -27.601 -42.098 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.769 -27.428 -43.261 1.00 0.00 N ATOM 0 H HIS A 31 88.856 -23.513 -41.668 1.00 0.00 H new ATOM 0 HA HIS A 31 90.978 -23.403 -40.987 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.960 -23.965 -43.807 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.719 -24.398 -42.288 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.841 -25.707 -44.628 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.311 -28.484 -41.483 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.131 -28.077 -43.722 1.00 0.00 H new ATOM 485 N ALA A 32 90.788 -20.842 -41.799 1.00 0.00 N ATOM 486 CA ALA A 32 91.190 -19.461 -42.040 1.00 0.00 C ATOM 487 C ALA A 32 92.299 -19.050 -41.077 1.00 0.00 C ATOM 488 O ALA A 32 92.903 -19.893 -40.415 1.00 0.00 O ATOM 489 CB ALA A 32 89.989 -18.529 -41.866 1.00 0.00 C ATOM 0 H ALA A 32 90.013 -20.952 -41.145 1.00 0.00 H new ATOM 0 HA ALA A 32 91.564 -19.384 -43.061 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.298 -17.500 -42.048 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.209 -18.804 -42.576 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.603 -18.618 -40.850 1.00 0.00 H new ATOM 495 N ARG A 33 92.560 -17.749 -41.005 1.00 0.00 N ATOM 496 CA ARG A 33 93.603 -17.238 -40.124 1.00 0.00 C ATOM 497 C ARG A 33 93.003 -16.339 -39.048 1.00 0.00 C ATOM 498 O ARG A 33 93.347 -16.450 -37.871 1.00 0.00 O ATOM 499 CB ARG A 33 94.631 -16.447 -40.936 1.00 0.00 C ATOM 500 CG ARG A 33 95.340 -17.386 -41.915 1.00 0.00 C ATOM 501 CD ARG A 33 96.339 -16.589 -42.754 1.00 0.00 C ATOM 502 NE ARG A 33 97.411 -16.075 -41.909 1.00 0.00 N ATOM 503 CZ ARG A 33 98.319 -16.888 -41.380 1.00 0.00 C ATOM 504 NH1 ARG A 33 98.260 -18.171 -41.612 1.00 0.00 N ATOM 505 NH2 ARG A 33 99.269 -16.404 -40.629 1.00 0.00 N ATOM 0 H ARG A 33 92.068 -17.035 -41.542 1.00 0.00 H new ATOM 0 HA ARG A 33 94.093 -18.085 -39.643 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.138 -15.641 -41.480 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.358 -15.983 -40.269 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.856 -18.176 -41.369 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.610 -17.871 -42.563 1.00 0.00 H new ATOM 0 HD2 ARG A 33 96.756 -17.224 -43.536 1.00 0.00 H new ATOM 0 HD3 ARG A 33 95.830 -15.763 -43.251 1.00 0.00 H new ATOM 0 HE ARG A 33 97.465 -15.074 -41.721 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.517 -18.549 -42.199 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.957 -18.795 -41.206 1.00 0.00 H new ATOM 0 HH21 ARG A 33 99.315 -15.401 -40.448 1.00 0.00 H new ATOM 0 HH22 ARG A 33 99.966 -17.028 -40.223 1.00 0.00 H new ATOM 519 N SER A 34 92.106 -15.449 -39.459 1.00 0.00 N ATOM 520 CA SER A 34 91.502 -14.503 -38.529 1.00 0.00 C ATOM 521 C SER A 34 89.982 -14.626 -38.548 1.00 0.00 C ATOM 522 O SER A 34 89.297 -14.118 -37.660 1.00 0.00 O ATOM 523 CB SER A 34 91.904 -13.076 -38.901 1.00 0.00 C ATOM 524 OG SER A 34 93.261 -12.859 -38.537 1.00 0.00 O ATOM 0 H SER A 34 91.783 -15.363 -40.423 1.00 0.00 H new ATOM 0 HA SER A 34 91.860 -14.732 -37.525 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.773 -12.917 -39.971 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.260 -12.360 -38.391 1.00 0.00 H new ATOM 0 HG SER A 34 93.522 -11.945 -38.776 1.00 0.00 H new ATOM 530 N GLY A 35 89.461 -15.304 -39.566 1.00 0.00 N ATOM 531 CA GLY A 35 88.019 -15.475 -39.697 1.00 0.00 C ATOM 532 C GLY A 35 87.279 -14.231 -39.219 1.00 0.00 C ATOM 533 O GLY A 35 86.592 -14.259 -38.198 1.00 0.00 O ATOM 0 H GLY A 35 90.011 -15.740 -40.306 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.766 -15.677 -40.738 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.697 -16.340 -39.117 1.00 0.00 H new ATOM 537 N GLU A 36 87.423 -13.140 -39.964 1.00 0.00 N ATOM 538 CA GLU A 36 86.795 -11.880 -39.585 1.00 0.00 C ATOM 539 C GLU A 36 85.387 -11.788 -40.163 1.00 0.00 C ATOM 540 O GLU A 36 85.124 -12.271 -41.264 1.00 0.00 O ATOM 541 CB GLU A 36 87.634 -10.704 -40.090 1.00 0.00 C ATOM 542 CG GLU A 36 88.700 -10.352 -39.050 1.00 0.00 C ATOM 543 CD GLU A 36 88.047 -9.718 -37.827 1.00 0.00 C ATOM 544 OE1 GLU A 36 86.909 -9.293 -37.940 1.00 0.00 O ATOM 545 OE2 GLU A 36 88.695 -9.665 -36.794 1.00 0.00 O ATOM 0 H GLU A 36 87.965 -13.103 -40.827 1.00 0.00 H new ATOM 0 HA GLU A 36 86.733 -11.840 -38.498 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.107 -10.962 -41.038 1.00 0.00 H new ATOM 0 HB3 GLU A 36 86.995 -9.841 -40.277 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.244 -11.250 -38.757 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.427 -9.664 -39.481 1.00 0.00 H new ATOM 552 N CYS A 37 84.485 -11.164 -39.413 1.00 0.00 N ATOM 553 CA CYS A 37 83.106 -11.009 -39.862 1.00 0.00 C ATOM 554 C CYS A 37 82.973 -9.794 -40.775 1.00 0.00 C ATOM 555 O CYS A 37 83.775 -8.862 -40.705 1.00 0.00 O ATOM 556 CB CYS A 37 82.116 -10.773 -38.681 1.00 0.00 C ATOM 557 SG CYS A 37 81.358 -12.302 -38.077 1.00 0.00 S ATOM 0 H CYS A 37 84.682 -10.760 -38.497 1.00 0.00 H new ATOM 0 HA CYS A 37 82.860 -11.937 -40.377 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.646 -10.288 -37.861 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.332 -10.088 -39.003 1.00 0.00 H new ATOM 562 N PHE A 38 81.955 -9.810 -41.629 1.00 0.00 N ATOM 563 CA PHE A 38 81.707 -8.690 -42.529 1.00 0.00 C ATOM 564 C PHE A 38 80.211 -8.525 -42.778 1.00 0.00 C ATOM 565 O PHE A 38 79.411 -9.383 -42.405 1.00 0.00 O ATOM 566 CB PHE A 38 82.426 -8.920 -43.860 1.00 0.00 C ATOM 567 CG PHE A 38 83.917 -8.803 -43.654 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.637 -9.882 -43.128 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.579 -7.616 -43.989 1.00 0.00 C ATOM 570 CE1 PHE A 38 86.019 -9.774 -42.937 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.962 -7.508 -43.798 1.00 0.00 C ATOM 572 CZ PHE A 38 86.682 -8.588 -43.272 1.00 0.00 C ATOM 0 H PHE A 38 81.293 -10.581 -41.717 1.00 0.00 H new ATOM 0 HA PHE A 38 82.089 -7.782 -42.063 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.179 -9.906 -44.253 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.092 -8.190 -44.597 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.126 -10.798 -42.870 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.023 -6.784 -44.395 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.574 -10.606 -42.531 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.473 -6.592 -44.056 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.749 -8.506 -43.125 1.00 0.00 H new ATOM 582 N TYR A 39 79.840 -7.417 -43.412 1.00 0.00 N ATOM 583 CA TYR A 39 78.437 -7.152 -43.708 1.00 0.00 C ATOM 584 C TYR A 39 78.119 -7.506 -45.157 1.00 0.00 C ATOM 585 O TYR A 39 78.754 -7.002 -46.083 1.00 0.00 O ATOM 586 CB TYR A 39 78.121 -5.676 -43.459 1.00 0.00 C ATOM 587 CG TYR A 39 78.105 -5.408 -41.973 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.916 -5.552 -41.249 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.280 -5.017 -41.320 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.902 -5.305 -39.871 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.265 -4.769 -39.942 1.00 0.00 C ATOM 592 CZ TYR A 39 78.076 -4.913 -39.217 1.00 0.00 C ATOM 593 OH TYR A 39 78.062 -4.670 -37.859 1.00 0.00 O ATOM 0 H TYR A 39 80.486 -6.694 -43.728 1.00 0.00 H new ATOM 0 HA TYR A 39 77.823 -7.770 -43.053 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.867 -5.047 -43.945 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.155 -5.421 -43.896 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.010 -5.854 -41.753 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.198 -4.907 -41.879 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.985 -5.417 -39.312 1.00 0.00 H new ATOM 0 HE2 TYR A 39 80.171 -4.466 -39.438 1.00 0.00 H new ATOM 0 HH TYR A 39 78.959 -4.409 -37.564 1.00 0.00 H new ATOM 603 N ASP A 40 77.133 -8.377 -45.345 1.00 0.00 N ATOM 604 CA ASP A 40 76.738 -8.791 -46.687 1.00 0.00 C ATOM 605 C ASP A 40 75.452 -8.088 -47.109 1.00 0.00 C ATOM 606 O ASP A 40 75.098 -7.041 -46.565 1.00 0.00 O ATOM 607 CB ASP A 40 76.530 -10.306 -46.725 1.00 0.00 C ATOM 608 CG ASP A 40 77.856 -11.021 -46.491 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.864 -10.341 -46.391 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.844 -12.239 -46.416 1.00 0.00 O ATOM 0 H ASP A 40 76.596 -8.807 -44.592 1.00 0.00 H new ATOM 0 HA ASP A 40 77.533 -8.515 -47.380 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.809 -10.601 -45.963 1.00 0.00 H new ATOM 0 HB3 ASP A 40 76.114 -10.600 -47.689 1.00 0.00 H new ATOM 615 N GLU A 41 74.758 -8.669 -48.081 1.00 0.00 N ATOM 616 CA GLU A 41 73.516 -8.086 -48.574 1.00 0.00 C ATOM 617 C GLU A 41 72.462 -8.059 -47.472 1.00 0.00 C ATOM 618 O GLU A 41 71.537 -7.247 -47.503 1.00 0.00 O ATOM 619 CB GLU A 41 72.994 -8.895 -49.763 1.00 0.00 C ATOM 620 CG GLU A 41 74.001 -8.824 -50.912 1.00 0.00 C ATOM 621 CD GLU A 41 74.090 -7.396 -51.439 1.00 0.00 C ATOM 622 OE1 GLU A 41 73.193 -6.621 -51.150 1.00 0.00 O ATOM 623 OE2 GLU A 41 75.055 -7.097 -52.124 1.00 0.00 O ATOM 0 H GLU A 41 75.032 -9.537 -48.541 1.00 0.00 H new ATOM 0 HA GLU A 41 73.718 -7.063 -48.892 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.835 -9.932 -49.469 1.00 0.00 H new ATOM 0 HB3 GLU A 41 72.029 -8.504 -50.087 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.981 -9.156 -50.569 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.699 -9.498 -51.713 1.00 0.00 H new ATOM 630 N LYS A 42 72.608 -8.953 -46.499 1.00 0.00 N ATOM 631 CA LYS A 42 71.660 -9.025 -45.393 1.00 0.00 C ATOM 632 C LYS A 42 72.184 -8.253 -44.186 1.00 0.00 C ATOM 633 O LYS A 42 71.727 -8.457 -43.061 1.00 0.00 O ATOM 634 CB LYS A 42 71.423 -10.486 -45.003 1.00 0.00 C ATOM 635 CG LYS A 42 70.886 -11.256 -46.210 1.00 0.00 C ATOM 636 CD LYS A 42 70.369 -12.623 -45.756 1.00 0.00 C ATOM 637 CE LYS A 42 71.505 -13.403 -45.091 1.00 0.00 C ATOM 638 NZ LYS A 42 72.764 -13.199 -45.861 1.00 0.00 N ATOM 0 H LYS A 42 73.367 -9.633 -46.454 1.00 0.00 H new ATOM 0 HA LYS A 42 70.720 -8.578 -45.715 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.353 -10.936 -44.656 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.714 -10.543 -44.177 1.00 0.00 H new ATOM 0 HG2 LYS A 42 70.084 -10.692 -46.687 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.673 -11.382 -46.954 1.00 0.00 H new ATOM 0 HD2 LYS A 42 69.542 -12.497 -45.057 1.00 0.00 H new ATOM 0 HD3 LYS A 42 69.983 -13.179 -46.610 1.00 0.00 H new ATOM 0 HE2 LYS A 42 71.637 -13.068 -44.062 1.00 0.00 H new ATOM 0 HE3 LYS A 42 71.258 -14.464 -45.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 73.388 -14.020 -45.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 72.540 -13.092 -46.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 73.244 -12.342 -45.521 1.00 0.00 H new ATOM 652 N ARG A 43 73.144 -7.367 -44.429 1.00 0.00 N ATOM 653 CA ARG A 43 73.733 -6.580 -43.352 1.00 0.00 C ATOM 654 C ARG A 43 74.014 -7.460 -42.137 1.00 0.00 C ATOM 655 O ARG A 43 74.077 -6.974 -41.008 1.00 0.00 O ATOM 656 CB ARG A 43 72.785 -5.447 -42.955 1.00 0.00 C ATOM 657 CG ARG A 43 73.007 -4.248 -43.880 1.00 0.00 C ATOM 658 CD ARG A 43 71.807 -3.304 -43.789 1.00 0.00 C ATOM 659 NE ARG A 43 71.228 -3.350 -42.451 1.00 0.00 N ATOM 660 CZ ARG A 43 70.514 -2.335 -41.976 1.00 0.00 C ATOM 661 NH1 ARG A 43 70.321 -1.273 -42.710 1.00 0.00 N ATOM 662 NH2 ARG A 43 70.006 -2.400 -40.776 1.00 0.00 N ATOM 0 H ARG A 43 73.528 -7.177 -45.355 1.00 0.00 H new ATOM 0 HA ARG A 43 74.674 -6.159 -43.707 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.751 -5.784 -43.021 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.961 -5.158 -41.919 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.919 -3.722 -43.598 1.00 0.00 H new ATOM 0 HG3 ARG A 43 73.139 -4.587 -44.907 1.00 0.00 H new ATOM 0 HD2 ARG A 43 72.118 -2.286 -44.023 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.057 -3.586 -44.527 1.00 0.00 H new ATOM 0 HE ARG A 43 71.374 -4.176 -41.870 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.718 -1.222 -43.648 1.00 0.00 H new ATOM 0 HH12 ARG A 43 69.773 -0.494 -42.345 1.00 0.00 H new ATOM 0 HH21 ARG A 43 70.157 -3.230 -40.203 1.00 0.00 H new ATOM 0 HH22 ARG A 43 69.458 -1.621 -40.411 1.00 0.00 H new ATOM 676 N ASN A 44 74.182 -8.756 -42.378 1.00 0.00 N ATOM 677 CA ASN A 44 74.461 -9.694 -41.297 1.00 0.00 C ATOM 678 C ASN A 44 75.961 -9.940 -41.176 1.00 0.00 C ATOM 679 O ASN A 44 76.693 -9.874 -42.164 1.00 0.00 O ATOM 680 CB ASN A 44 73.743 -11.020 -41.558 1.00 0.00 C ATOM 681 CG ASN A 44 72.280 -10.911 -41.143 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.832 -9.846 -40.717 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.503 -11.955 -41.243 1.00 0.00 N ATOM 0 H ASN A 44 74.130 -9.178 -43.305 1.00 0.00 H new ATOM 0 HA ASN A 44 74.099 -9.263 -40.364 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.812 -11.278 -42.615 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.229 -11.822 -41.002 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.523 -11.890 -40.968 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.876 -12.836 -41.596 1.00 0.00 H new ATOM 690 N LEU A 45 76.413 -10.225 -39.959 1.00 0.00 N ATOM 691 CA LEU A 45 77.825 -10.503 -39.724 1.00 0.00 C ATOM 692 C LEU A 45 78.157 -11.946 -40.093 1.00 0.00 C ATOM 693 O LEU A 45 77.763 -12.881 -39.396 1.00 0.00 O ATOM 694 CB LEU A 45 78.169 -10.259 -38.253 1.00 0.00 C ATOM 695 CG LEU A 45 77.309 -9.117 -37.711 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.643 -8.881 -36.237 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.596 -7.842 -38.507 1.00 0.00 C ATOM 0 H LEU A 45 75.827 -10.269 -39.126 1.00 0.00 H new ATOM 0 HA LEU A 45 78.415 -9.835 -40.351 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.996 -11.165 -37.673 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.226 -10.012 -38.152 1.00 0.00 H new ATOM 0 HG LEU A 45 76.255 -9.379 -37.808 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.030 -8.067 -35.851 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.441 -9.789 -35.668 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.697 -8.619 -36.140 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.983 -7.027 -38.122 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.650 -7.582 -38.409 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.359 -8.008 -39.558 1.00 0.00 H new ATOM 709 N GLN A 46 78.882 -12.118 -41.193 1.00 0.00 N ATOM 710 CA GLN A 46 79.240 -13.452 -41.660 1.00 0.00 C ATOM 711 C GLN A 46 80.738 -13.692 -41.498 1.00 0.00 C ATOM 712 O GLN A 46 81.557 -12.939 -42.026 1.00 0.00 O ATOM 713 CB GLN A 46 78.852 -13.613 -43.131 1.00 0.00 C ATOM 714 CG GLN A 46 77.386 -13.216 -43.319 1.00 0.00 C ATOM 715 CD GLN A 46 76.477 -14.261 -42.681 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.956 -15.279 -42.180 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.186 -14.069 -42.668 1.00 0.00 N ATOM 0 H GLN A 46 79.231 -11.356 -41.774 1.00 0.00 H new ATOM 0 HA GLN A 46 78.699 -14.184 -41.060 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.491 -12.991 -43.757 1.00 0.00 H new ATOM 0 HB3 GLN A 46 79.004 -14.645 -43.447 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.204 -12.240 -42.869 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.159 -13.124 -44.381 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.792 -13.225 -43.084 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.571 -14.763 -42.242 1.00 0.00 H new ATOM 726 N CYS A 47 81.089 -14.743 -40.765 1.00 0.00 N ATOM 727 CA CYS A 47 82.492 -15.087 -40.563 1.00 0.00 C ATOM 728 C CYS A 47 83.168 -15.381 -41.898 1.00 0.00 C ATOM 729 O CYS A 47 82.876 -16.386 -42.546 1.00 0.00 O ATOM 730 CB CYS A 47 82.642 -16.320 -39.657 1.00 0.00 C ATOM 731 SG CYS A 47 81.729 -16.126 -38.107 1.00 0.00 S ATOM 0 H CYS A 47 80.427 -15.367 -40.304 1.00 0.00 H new ATOM 0 HA CYS A 47 82.967 -14.231 -40.084 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.282 -17.204 -40.183 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.697 -16.486 -39.440 1.00 0.00 H new ATOM 736 N ILE A 48 84.074 -14.497 -42.304 1.00 0.00 N ATOM 737 CA ILE A 48 84.774 -14.664 -43.573 1.00 0.00 C ATOM 738 C ILE A 48 86.180 -15.208 -43.342 1.00 0.00 C ATOM 739 O ILE A 48 86.998 -14.578 -42.671 1.00 0.00 O ATOM 740 CB ILE A 48 84.859 -13.322 -44.303 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.449 -12.856 -44.676 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.694 -13.483 -45.574 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.537 -11.770 -45.749 1.00 0.00 C ATOM 0 H ILE A 48 84.339 -13.664 -41.778 1.00 0.00 H new ATOM 0 HA ILE A 48 84.217 -15.375 -44.183 1.00 0.00 H new ATOM 0 HB ILE A 48 85.328 -12.584 -43.652 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.862 -13.698 -45.043 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.937 -12.470 -43.794 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.754 -12.527 -46.093 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.698 -13.816 -45.310 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.226 -14.221 -46.226 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.533 -11.438 -46.014 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.109 -10.925 -45.365 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.032 -12.171 -46.633 1.00 0.00 H new ATOM 755 N CYS A 49 86.455 -16.382 -43.902 1.00 0.00 N ATOM 756 CA CYS A 49 87.775 -16.987 -43.774 1.00 0.00 C ATOM 757 C CYS A 49 88.761 -16.329 -44.733 1.00 0.00 C ATOM 758 O CYS A 49 88.584 -16.374 -45.950 1.00 0.00 O ATOM 759 CB CYS A 49 87.693 -18.471 -44.119 1.00 0.00 C ATOM 760 SG CYS A 49 86.688 -19.411 -42.944 1.00 0.00 S ATOM 0 H CYS A 49 85.787 -16.929 -44.445 1.00 0.00 H new ATOM 0 HA CYS A 49 88.115 -16.850 -42.748 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.275 -18.584 -45.119 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.699 -18.889 -44.145 1.00 0.00 H new ATOM 765 N ASP A 50 89.801 -15.717 -44.176 1.00 0.00 N ATOM 766 CA ASP A 50 90.793 -15.023 -44.989 1.00 0.00 C ATOM 767 C ASP A 50 92.129 -15.757 -44.948 1.00 0.00 C ATOM 768 O ASP A 50 92.770 -15.840 -43.901 1.00 0.00 O ATOM 769 CB ASP A 50 90.978 -13.593 -44.480 1.00 0.00 C ATOM 770 CG ASP A 50 89.624 -12.980 -44.141 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.624 -13.640 -44.368 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.607 -11.859 -43.660 1.00 0.00 O ATOM 0 H ASP A 50 89.978 -15.687 -43.172 1.00 0.00 H new ATOM 0 HA ASP A 50 90.437 -14.998 -46.019 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.618 -13.592 -43.597 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.479 -12.991 -45.238 1.00 0.00 H new ATOM 777 N TYR A 51 92.541 -16.289 -46.094 1.00 0.00 N ATOM 778 CA TYR A 51 93.827 -16.971 -46.189 1.00 0.00 C ATOM 779 C TYR A 51 94.843 -16.097 -46.917 1.00 0.00 C ATOM 780 O TYR A 51 95.339 -16.462 -47.984 1.00 0.00 O ATOM 781 CB TYR A 51 93.660 -18.296 -46.934 1.00 0.00 C ATOM 782 CG TYR A 51 92.261 -18.822 -46.716 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.991 -19.665 -45.631 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.234 -18.466 -47.599 1.00 0.00 C ATOM 785 CE1 TYR A 51 90.694 -20.152 -45.429 1.00 0.00 C ATOM 786 CE2 TYR A 51 89.937 -18.953 -47.396 1.00 0.00 C ATOM 787 CZ TYR A 51 89.667 -19.796 -46.311 1.00 0.00 C ATOM 788 OH TYR A 51 88.389 -20.276 -46.112 1.00 0.00 O ATOM 0 H TYR A 51 92.008 -16.262 -46.963 1.00 0.00 H new ATOM 0 HA TYR A 51 94.191 -17.166 -45.180 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.845 -18.153 -47.999 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.392 -19.021 -46.578 1.00 0.00 H new ATOM 0 HD1 TYR A 51 92.783 -19.939 -44.950 1.00 0.00 H new ATOM 0 HD2 TYR A 51 91.442 -17.816 -48.436 1.00 0.00 H new ATOM 0 HE1 TYR A 51 90.486 -20.803 -44.592 1.00 0.00 H new ATOM 0 HE2 TYR A 51 89.145 -18.678 -48.076 1.00 0.00 H new ATOM 0 HH TYR A 51 87.797 -19.932 -46.813 1.00 0.00 H new ATOM 798 N CYS A 52 95.149 -14.943 -46.334 1.00 0.00 N ATOM 799 CA CYS A 52 96.090 -14.013 -46.949 1.00 0.00 C ATOM 800 C CYS A 52 96.405 -12.863 -45.997 1.00 0.00 C ATOM 801 O CYS A 52 96.076 -12.916 -44.812 1.00 0.00 O ATOM 802 CB CYS A 52 95.503 -13.457 -48.247 1.00 0.00 C ATOM 803 SG CYS A 52 95.825 -14.616 -49.600 1.00 0.00 S ATOM 0 H CYS A 52 94.763 -14.630 -45.443 1.00 0.00 H new ATOM 0 HA CYS A 52 97.012 -14.551 -47.169 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.430 -13.300 -48.136 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.945 -12.486 -48.472 1.00 0.00 H new ATOM 808 N GLU A 53 97.045 -11.824 -46.524 1.00 0.00 N ATOM 809 CA GLU A 53 97.385 -10.658 -45.716 1.00 0.00 C ATOM 810 C GLU A 53 96.460 -9.490 -46.043 1.00 0.00 C ATOM 811 O GLU A 53 96.856 -8.543 -46.722 1.00 0.00 O ATOM 812 CB GLU A 53 98.837 -10.250 -45.973 1.00 0.00 C ATOM 813 CG GLU A 53 99.773 -11.358 -45.487 1.00 0.00 C ATOM 814 CD GLU A 53 101.225 -10.935 -45.680 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.445 -9.908 -46.299 1.00 0.00 O ATOM 816 OE2 GLU A 53 102.096 -11.645 -45.204 1.00 0.00 O ATOM 0 H GLU A 53 97.337 -11.765 -47.500 1.00 0.00 H new ATOM 0 HA GLU A 53 97.262 -10.920 -44.665 1.00 0.00 H new ATOM 0 HB2 GLU A 53 98.992 -10.069 -47.037 1.00 0.00 H new ATOM 0 HB3 GLU A 53 99.061 -9.317 -45.455 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.584 -11.570 -44.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.577 -12.278 -46.037 1.00 0.00 H new ATOM 823 N TYR A 54 95.226 -9.564 -45.554 1.00 0.00 N ATOM 824 CA TYR A 54 94.256 -8.502 -45.793 1.00 0.00 C ATOM 825 C TYR A 54 94.924 -7.134 -45.692 1.00 0.00 C ATOM 826 CB TYR A 54 93.120 -8.593 -44.772 1.00 0.00 C ATOM 827 CG TYR A 54 93.694 -8.860 -43.402 1.00 0.00 C ATOM 828 CD1 TYR A 54 93.880 -10.177 -42.965 1.00 0.00 C ATOM 829 CD2 TYR A 54 94.040 -7.790 -42.568 1.00 0.00 C ATOM 830 CE1 TYR A 54 94.412 -10.424 -41.694 1.00 0.00 C ATOM 831 CE2 TYR A 54 94.573 -8.038 -41.297 1.00 0.00 C ATOM 832 CZ TYR A 54 94.759 -9.355 -40.860 1.00 0.00 C ATOM 833 OH TYR A 54 95.283 -9.598 -39.607 1.00 0.00 O ATOM 0 H TYR A 54 94.876 -10.342 -44.994 1.00 0.00 H new ATOM 0 HA TYR A 54 93.852 -8.624 -46.798 1.00 0.00 H new ATOM 0 HB2 TYR A 54 92.549 -7.665 -44.764 1.00 0.00 H new ATOM 0 HB3 TYR A 54 92.430 -9.389 -45.050 1.00 0.00 H new ATOM 0 HD1 TYR A 54 93.613 -11.002 -43.608 1.00 0.00 H new ATOM 0 HD2 TYR A 54 93.896 -6.774 -42.905 1.00 0.00 H new ATOM 0 HE1 TYR A 54 94.555 -11.440 -41.357 1.00 0.00 H new ATOM 0 HE2 TYR A 54 94.841 -7.213 -40.654 1.00 0.00 H new ATOM 0 HH TYR A 54 95.470 -8.746 -39.160 1.00 0.00 H new