USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=11 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 21 GLN : amide:sc= -5.31! C(o=-5.3!,f=-11!) USER MOD Set 2.1: A 8 TYR OH : rot -136:sc= 0.933 USER MOD Set 2.2: A 11 TYR OH : rot -152:sc= -1.66! USER MOD Single : A 5 LYS NZ :NH3+ -134:sc= -0.737 (180deg=-2.61!) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.116 (180deg=-0.743) USER MOD Single : A 10 ASN : amide:sc= -0.597 K(o=-0.6,f=-2.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0037 USER MOD Single : A 17 GLN : amide:sc= -0.474 K(o=-0.47,f=-1.4!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 23 ASN : amide:sc= -2.89! C(o=-2.9!,f=-10!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.29 (180deg=-1.11) 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=-0.97) USER MOD Single : A 34 SER OG : rot 180:sc= -0.484 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.6!) USER MOD Single : A 46 GLN : amide:sc= -1.03 K(o=-1,f=-4.1!) USER MOD Single : A 51 TYR OH : rot 180:sc= -2.98 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N CYS A 4 91.281 -14.343 -51.538 1.00 0.00 N ATOM 36 CA CYS A 4 91.547 -15.140 -50.345 1.00 0.00 C ATOM 37 C CYS A 4 90.387 -15.058 -49.365 1.00 0.00 C ATOM 38 O CYS A 4 90.162 -15.972 -48.571 1.00 0.00 O ATOM 39 CB CYS A 4 92.794 -14.613 -49.634 1.00 0.00 C ATOM 40 SG CYS A 4 94.199 -14.643 -50.775 1.00 0.00 S ATOM 0 HA CYS A 4 91.689 -16.173 -50.664 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.621 -13.597 -49.280 1.00 0.00 H new ATOM 0 HB3 CYS A 4 93.011 -15.223 -48.757 1.00 0.00 H new ATOM 45 N LYS A 5 89.665 -13.944 -49.409 1.00 0.00 N ATOM 46 CA LYS A 5 88.542 -13.736 -48.502 1.00 0.00 C ATOM 47 C LYS A 5 87.308 -14.485 -48.995 1.00 0.00 C ATOM 48 O LYS A 5 86.781 -14.193 -50.069 1.00 0.00 O ATOM 49 CB LYS A 5 88.228 -12.244 -48.395 1.00 0.00 C ATOM 50 CG LYS A 5 89.533 -11.446 -48.378 1.00 0.00 C ATOM 51 CD LYS A 5 90.407 -11.923 -47.215 1.00 0.00 C ATOM 52 CE LYS A 5 91.588 -10.966 -47.037 1.00 0.00 C ATOM 53 NZ LYS A 5 91.119 -9.719 -46.369 1.00 0.00 N ATOM 0 H LYS A 5 89.835 -13.176 -50.058 1.00 0.00 H new ATOM 0 HA LYS A 5 88.816 -14.120 -47.520 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.609 -11.931 -49.236 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.657 -12.046 -47.488 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.063 -11.575 -49.322 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.320 -10.382 -48.274 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.819 -11.966 -46.298 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.769 -12.933 -47.409 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.368 -11.440 -46.441 1.00 0.00 H new ATOM 0 HE3 LYS A 5 92.028 -10.729 -48.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.506 -8.892 -46.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 90.080 -9.683 -46.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 91.444 -9.711 -45.381 1.00 0.00 H new ATOM 67 N LYS A 6 86.854 -15.452 -48.205 1.00 0.00 N ATOM 68 CA LYS A 6 85.673 -16.228 -48.565 1.00 0.00 C ATOM 69 C LYS A 6 84.628 -16.160 -47.455 1.00 0.00 C ATOM 70 O LYS A 6 84.961 -16.234 -46.272 1.00 0.00 O ATOM 71 CB LYS A 6 86.062 -17.686 -48.813 1.00 0.00 C ATOM 72 CG LYS A 6 87.047 -17.760 -49.983 1.00 0.00 C ATOM 73 CD LYS A 6 87.237 -19.220 -50.399 1.00 0.00 C ATOM 74 CE LYS A 6 88.348 -19.311 -51.446 1.00 0.00 C ATOM 75 NZ LYS A 6 88.234 -18.167 -52.395 1.00 0.00 N ATOM 0 H LYS A 6 87.282 -15.716 -47.318 1.00 0.00 H new ATOM 0 HA LYS A 6 85.248 -15.806 -49.475 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.513 -18.111 -47.916 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.174 -18.278 -49.034 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.673 -17.177 -50.824 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.004 -17.326 -49.694 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.491 -19.827 -49.530 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.307 -19.618 -50.805 1.00 0.00 H new ATOM 0 HE2 LYS A 6 89.323 -19.297 -50.959 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.276 -20.254 -51.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 88.770 -18.379 -53.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 87.234 -18.014 -52.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 88.618 -17.308 -51.951 1.00 0.00 H new ATOM 89 N VAL A 7 83.365 -16.018 -47.843 1.00 0.00 N ATOM 90 CA VAL A 7 82.284 -15.917 -46.871 1.00 0.00 C ATOM 91 C VAL A 7 81.419 -17.173 -46.895 1.00 0.00 C ATOM 92 O VAL A 7 80.945 -17.591 -47.952 1.00 0.00 O ATOM 93 CB VAL A 7 81.418 -14.693 -47.176 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.759 -14.861 -48.546 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.333 -14.557 -46.104 1.00 0.00 C ATOM 0 H VAL A 7 83.067 -15.971 -48.817 1.00 0.00 H new ATOM 0 HA VAL A 7 82.724 -15.813 -45.879 1.00 0.00 H new ATOM 0 HB VAL A 7 82.042 -13.799 -47.180 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.142 -13.989 -48.763 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.529 -14.960 -49.311 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.135 -15.755 -48.542 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.715 -13.685 -46.320 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.710 -15.451 -46.101 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.800 -14.437 -45.127 1.00 0.00 H new ATOM 105 N TYR A 8 81.215 -17.768 -45.725 1.00 0.00 N ATOM 106 CA TYR A 8 80.354 -18.940 -45.613 1.00 0.00 C ATOM 107 C TYR A 8 79.482 -18.846 -44.364 1.00 0.00 C ATOM 108 O TYR A 8 79.985 -18.881 -43.241 1.00 0.00 O ATOM 109 CB TYR A 8 81.204 -20.211 -45.553 1.00 0.00 C ATOM 110 CG TYR A 8 81.610 -20.480 -44.123 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.794 -19.932 -43.616 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.802 -21.279 -43.306 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.170 -20.183 -42.291 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.179 -21.531 -41.980 1.00 0.00 C ATOM 115 CZ TYR A 8 82.363 -20.982 -41.473 1.00 0.00 C ATOM 116 OH TYR A 8 82.734 -21.230 -40.168 1.00 0.00 O ATOM 0 H TYR A 8 81.631 -17.461 -44.846 1.00 0.00 H new ATOM 0 HA TYR A 8 79.708 -18.979 -46.490 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.641 -21.057 -45.947 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.090 -20.099 -46.178 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.417 -19.316 -44.247 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.888 -21.701 -43.697 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.083 -19.760 -41.900 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.556 -22.148 -41.349 1.00 0.00 H new ATOM 0 HH TYR A 8 82.592 -22.178 -39.962 1.00 0.00 H new ATOM 126 N GLU A 9 78.176 -18.725 -44.570 1.00 0.00 N ATOM 127 CA GLU A 9 77.250 -18.540 -43.459 1.00 0.00 C ATOM 128 C GLU A 9 77.151 -19.811 -42.621 1.00 0.00 C ATOM 129 O GLU A 9 77.797 -19.931 -41.580 1.00 0.00 O ATOM 130 CB GLU A 9 75.865 -18.168 -43.990 1.00 0.00 C ATOM 131 CG GLU A 9 75.988 -16.988 -44.956 1.00 0.00 C ATOM 132 CD GLU A 9 74.603 -16.533 -45.404 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.644 -17.212 -45.078 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.522 -15.511 -46.065 1.00 0.00 O ATOM 0 H GLU A 9 77.736 -18.751 -45.490 1.00 0.00 H new ATOM 0 HA GLU A 9 77.627 -17.734 -42.829 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.417 -19.022 -44.498 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.205 -17.907 -43.163 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.511 -16.164 -44.471 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.583 -17.277 -45.823 1.00 0.00 H new ATOM 141 N ASN A 10 76.335 -20.755 -43.080 1.00 0.00 N ATOM 142 CA ASN A 10 76.078 -21.967 -42.312 1.00 0.00 C ATOM 143 C ASN A 10 75.454 -21.618 -40.965 1.00 0.00 C ATOM 144 O ASN A 10 74.351 -22.061 -40.646 1.00 0.00 O ATOM 145 CB ASN A 10 77.384 -22.733 -42.088 1.00 0.00 C ATOM 146 CG ASN A 10 77.833 -23.388 -43.389 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.062 -23.464 -44.345 1.00 0.00 O ATOM 148 ND2 ASN A 10 79.042 -23.870 -43.482 1.00 0.00 N ATOM 0 H ASN A 10 75.844 -20.705 -43.973 1.00 0.00 H new ATOM 0 HA ASN A 10 75.385 -22.593 -42.874 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.157 -22.054 -41.728 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.243 -23.492 -41.319 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.350 -24.311 -44.349 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.679 -23.806 -42.688 1.00 0.00 H new ATOM 155 N TYR A 11 76.168 -20.818 -40.181 1.00 0.00 N ATOM 156 CA TYR A 11 75.626 -20.305 -38.929 1.00 0.00 C ATOM 157 C TYR A 11 75.631 -18.779 -38.934 1.00 0.00 C ATOM 158 O TYR A 11 76.684 -18.150 -38.822 1.00 0.00 O ATOM 159 CB TYR A 11 76.453 -20.819 -37.749 1.00 0.00 C ATOM 160 CG TYR A 11 77.913 -20.515 -37.987 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.434 -19.264 -37.633 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.745 -21.485 -38.558 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.788 -18.983 -37.852 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.099 -21.204 -38.777 1.00 0.00 C ATOM 165 CZ TYR A 11 80.621 -19.953 -38.424 1.00 0.00 C ATOM 166 OH TYR A 11 81.955 -19.676 -38.639 1.00 0.00 O ATOM 0 H TYR A 11 77.119 -20.512 -40.389 1.00 0.00 H new ATOM 0 HA TYR A 11 74.599 -20.655 -38.827 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.119 -20.348 -36.824 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.309 -21.893 -37.630 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.792 -18.517 -37.191 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.343 -22.450 -38.830 1.00 0.00 H new ATOM 0 HE1 TYR A 11 80.190 -18.018 -37.580 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.741 -21.952 -39.218 1.00 0.00 H new ATOM 0 HH TYR A 11 82.282 -20.208 -39.395 1.00 0.00 H new ATOM 176 N PRO A 12 74.478 -18.184 -39.067 1.00 0.00 N ATOM 177 CA PRO A 12 74.332 -16.705 -39.134 1.00 0.00 C ATOM 178 C PRO A 12 75.146 -15.990 -38.058 1.00 0.00 C ATOM 179 O PRO A 12 75.882 -16.621 -37.301 1.00 0.00 O ATOM 180 CB PRO A 12 72.794 -16.461 -38.962 1.00 0.00 C ATOM 181 CG PRO A 12 72.182 -17.733 -39.460 1.00 0.00 C ATOM 182 CD PRO A 12 73.177 -18.862 -39.164 1.00 0.00 C ATOM 0 HA PRO A 12 74.714 -16.301 -40.072 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.532 -16.270 -37.922 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.457 -15.600 -39.539 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.229 -17.921 -38.965 1.00 0.00 H new ATOM 0 HG3 PRO A 12 71.979 -17.669 -40.529 1.00 0.00 H new ATOM 0 HD2 PRO A 12 72.928 -19.379 -38.237 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.177 -19.610 -39.956 1.00 0.00 H new ATOM 190 N VAL A 13 75.004 -14.669 -38.000 1.00 0.00 N ATOM 191 CA VAL A 13 75.766 -13.869 -37.049 1.00 0.00 C ATOM 192 C VAL A 13 75.705 -14.489 -35.657 1.00 0.00 C ATOM 193 O VAL A 13 76.431 -14.079 -34.752 1.00 0.00 O ATOM 194 CB VAL A 13 75.207 -12.446 -37.002 1.00 0.00 C ATOM 195 CG1 VAL A 13 74.734 -12.037 -38.397 1.00 0.00 C ATOM 196 CG2 VAL A 13 74.027 -12.394 -36.029 1.00 0.00 C ATOM 0 H VAL A 13 74.373 -14.134 -38.596 1.00 0.00 H new ATOM 0 HA VAL A 13 76.806 -13.841 -37.375 1.00 0.00 H new ATOM 0 HB VAL A 13 75.986 -11.761 -36.667 1.00 0.00 H new ATOM 0 HG11 VAL A 13 74.336 -11.023 -38.363 1.00 0.00 H new ATOM 0 HG12 VAL A 13 75.573 -12.074 -39.091 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.955 -12.722 -38.732 1.00 0.00 H new ATOM 0 HG21 VAL A 13 73.628 -11.380 -35.995 1.00 0.00 H new ATOM 0 HG22 VAL A 13 73.248 -13.079 -36.364 1.00 0.00 H new ATOM 0 HG23 VAL A 13 74.363 -12.685 -35.034 1.00 0.00 H new ATOM 206 N SER A 14 74.833 -15.479 -35.494 1.00 0.00 N ATOM 207 CA SER A 14 74.665 -16.130 -34.200 1.00 0.00 C ATOM 208 C SER A 14 76.019 -16.355 -33.535 1.00 0.00 C ATOM 209 O SER A 14 76.197 -16.059 -32.353 1.00 0.00 O ATOM 210 CB SER A 14 73.954 -17.472 -34.380 1.00 0.00 C ATOM 211 OG SER A 14 72.752 -17.271 -35.111 1.00 0.00 O ATOM 0 H SER A 14 74.236 -15.846 -36.236 1.00 0.00 H new ATOM 0 HA SER A 14 74.063 -15.482 -33.563 1.00 0.00 H new ATOM 0 HB2 SER A 14 74.602 -18.172 -34.908 1.00 0.00 H new ATOM 0 HB3 SER A 14 73.733 -17.913 -33.408 1.00 0.00 H new ATOM 0 HG SER A 14 72.294 -18.129 -35.230 1.00 0.00 H new ATOM 217 N LYS A 15 76.970 -16.879 -34.301 1.00 0.00 N ATOM 218 CA LYS A 15 78.309 -17.121 -33.779 1.00 0.00 C ATOM 219 C LYS A 15 79.133 -15.837 -33.807 1.00 0.00 C ATOM 220 O LYS A 15 79.914 -15.568 -32.894 1.00 0.00 O ATOM 221 CB LYS A 15 79.010 -18.195 -34.613 1.00 0.00 C ATOM 222 CG LYS A 15 78.144 -19.455 -34.655 1.00 0.00 C ATOM 223 CD LYS A 15 77.977 -20.008 -33.239 1.00 0.00 C ATOM 224 CE LYS A 15 77.681 -21.508 -33.306 1.00 0.00 C ATOM 225 NZ LYS A 15 78.964 -22.266 -33.313 1.00 0.00 N ATOM 0 H LYS A 15 76.840 -17.142 -35.278 1.00 0.00 H new ATOM 0 HA LYS A 15 78.220 -17.463 -32.748 1.00 0.00 H new ATOM 0 HB2 LYS A 15 79.186 -17.828 -35.624 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.985 -18.425 -34.183 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.169 -19.224 -35.084 1.00 0.00 H new ATOM 0 HG3 LYS A 15 78.606 -20.205 -35.297 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.883 -19.831 -32.659 1.00 0.00 H new ATOM 0 HD3 LYS A 15 77.166 -19.489 -32.728 1.00 0.00 H new ATOM 0 HE2 LYS A 15 77.073 -21.808 -32.453 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.106 -21.737 -34.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 78.765 -23.286 -33.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 79.528 -21.986 -34.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 79.496 -22.056 -32.445 1.00 0.00 H new ATOM 239 N CYS A 16 78.951 -15.047 -34.861 1.00 0.00 N ATOM 240 CA CYS A 16 79.714 -13.815 -35.020 1.00 0.00 C ATOM 241 C CYS A 16 79.580 -12.937 -33.779 1.00 0.00 C ATOM 242 O CYS A 16 80.217 -11.888 -33.678 1.00 0.00 O ATOM 243 CB CYS A 16 79.217 -13.048 -36.246 1.00 0.00 C ATOM 244 SG CYS A 16 80.305 -11.634 -36.556 1.00 0.00 S ATOM 0 H CYS A 16 78.287 -15.236 -35.612 1.00 0.00 H new ATOM 0 HA CYS A 16 80.764 -14.075 -35.155 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.199 -13.704 -37.116 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.195 -12.705 -36.084 1.00 0.00 H new ATOM 249 N GLN A 17 78.747 -13.372 -32.839 1.00 0.00 N ATOM 250 CA GLN A 17 78.549 -12.622 -31.603 1.00 0.00 C ATOM 251 C GLN A 17 79.875 -12.435 -30.874 1.00 0.00 C ATOM 252 O GLN A 17 80.054 -11.475 -30.125 1.00 0.00 O ATOM 253 CB GLN A 17 77.564 -13.362 -30.696 1.00 0.00 C ATOM 254 CG GLN A 17 76.190 -13.411 -31.365 1.00 0.00 C ATOM 255 CD GLN A 17 75.562 -12.021 -31.369 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.808 -11.225 -30.462 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.761 -11.680 -32.342 1.00 0.00 N ATOM 0 H GLN A 17 78.203 -14.232 -32.908 1.00 0.00 H new ATOM 0 HA GLN A 17 78.144 -11.642 -31.854 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.922 -14.373 -30.502 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.493 -12.859 -29.732 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.287 -13.778 -32.387 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.543 -14.110 -30.835 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.559 -12.341 -33.092 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.337 -10.752 -32.352 1.00 0.00 H new ATOM 266 N LEU A 18 80.803 -13.360 -31.099 1.00 0.00 N ATOM 267 CA LEU A 18 82.125 -13.266 -30.490 1.00 0.00 C ATOM 268 C LEU A 18 83.211 -13.336 -31.559 1.00 0.00 C ATOM 269 O LEU A 18 83.347 -14.342 -32.255 1.00 0.00 O ATOM 270 CB LEU A 18 82.322 -14.405 -29.488 1.00 0.00 C ATOM 271 CG LEU A 18 81.196 -14.376 -28.454 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.952 -15.791 -27.926 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.594 -13.463 -27.293 1.00 0.00 C ATOM 0 H LEU A 18 80.666 -14.177 -31.694 1.00 0.00 H new ATOM 0 HA LEU A 18 82.198 -12.310 -29.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.328 -15.363 -30.007 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.288 -14.305 -28.992 1.00 0.00 H new ATOM 0 HG LEU A 18 80.285 -13.999 -28.919 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.149 -15.771 -27.189 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.670 -16.444 -28.752 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.863 -16.168 -27.461 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.792 -13.442 -26.555 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.504 -13.841 -26.828 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.770 -12.454 -27.667 1.00 0.00 H new ATOM 285 N ALA A 19 83.981 -12.261 -31.685 1.00 0.00 N ATOM 286 CA ALA A 19 85.033 -12.203 -32.694 1.00 0.00 C ATOM 287 C ALA A 19 85.939 -13.426 -32.591 1.00 0.00 C ATOM 288 O ALA A 19 86.722 -13.708 -33.499 1.00 0.00 O ATOM 289 CB ALA A 19 85.865 -10.932 -32.509 1.00 0.00 C ATOM 0 H ALA A 19 83.898 -11.425 -31.107 1.00 0.00 H new ATOM 0 HA ALA A 19 84.567 -12.191 -33.679 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.648 -10.896 -33.266 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.222 -10.058 -32.611 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.319 -10.935 -31.518 1.00 0.00 H new ATOM 295 N ASN A 20 85.826 -14.149 -31.482 1.00 0.00 N ATOM 296 CA ASN A 20 86.650 -15.333 -31.265 1.00 0.00 C ATOM 297 C ASN A 20 85.975 -16.570 -31.850 1.00 0.00 C ATOM 298 O ASN A 20 86.607 -17.613 -32.016 1.00 0.00 O ATOM 299 CB ASN A 20 86.885 -15.538 -29.768 1.00 0.00 C ATOM 300 CG ASN A 20 87.329 -14.228 -29.125 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.129 -13.492 -29.702 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.852 -13.890 -27.959 1.00 0.00 N ATOM 0 H ASN A 20 85.177 -13.938 -30.724 1.00 0.00 H new ATOM 0 HA ASN A 20 87.607 -15.184 -31.766 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.971 -15.894 -29.293 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.644 -16.305 -29.612 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.142 -13.014 -27.524 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.189 -14.501 -27.482 1.00 0.00 H new ATOM 309 N GLN A 21 84.688 -16.446 -32.160 1.00 0.00 N ATOM 310 CA GLN A 21 83.930 -17.572 -32.693 1.00 0.00 C ATOM 311 C GLN A 21 84.244 -17.778 -34.171 1.00 0.00 C ATOM 312 O GLN A 21 84.577 -18.884 -34.597 1.00 0.00 O ATOM 313 CB GLN A 21 82.431 -17.323 -32.518 1.00 0.00 C ATOM 314 CG GLN A 21 81.736 -18.633 -32.141 1.00 0.00 C ATOM 315 CD GLN A 21 82.027 -19.699 -33.193 1.00 0.00 C ATOM 316 OE1 GLN A 21 82.155 -19.385 -34.377 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.142 -20.946 -32.830 1.00 0.00 N ATOM 0 H GLN A 21 84.152 -15.585 -32.052 1.00 0.00 H new ATOM 0 HA GLN A 21 84.215 -18.469 -32.144 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.264 -16.575 -31.743 1.00 0.00 H new ATOM 0 HB3 GLN A 21 82.007 -16.927 -33.441 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.083 -18.970 -31.164 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.661 -18.474 -32.060 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.036 -21.203 -31.849 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.338 -21.664 -33.527 1.00 0.00 H new ATOM 326 N CYS A 22 84.137 -16.706 -34.949 1.00 0.00 N ATOM 327 CA CYS A 22 84.388 -16.786 -36.384 1.00 0.00 C ATOM 328 C CYS A 22 85.700 -17.514 -36.657 1.00 0.00 C ATOM 329 O CYS A 22 85.716 -18.569 -37.290 1.00 0.00 O ATOM 330 CB CYS A 22 84.447 -15.380 -36.984 1.00 0.00 C ATOM 331 SG CYS A 22 82.776 -14.689 -37.071 1.00 0.00 S ATOM 0 H CYS A 22 83.880 -15.778 -34.613 1.00 0.00 H new ATOM 0 HA CYS A 22 83.573 -17.343 -36.846 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.085 -14.740 -36.375 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.889 -15.416 -37.980 1.00 0.00 H new ATOM 336 N ASN A 23 86.799 -16.944 -36.174 1.00 0.00 N ATOM 337 CA ASN A 23 88.113 -17.544 -36.378 1.00 0.00 C ATOM 338 C ASN A 23 88.071 -19.040 -36.080 1.00 0.00 C ATOM 339 O ASN A 23 88.519 -19.855 -36.886 1.00 0.00 O ATOM 340 CB ASN A 23 89.142 -16.870 -35.468 1.00 0.00 C ATOM 341 CG ASN A 23 88.746 -15.418 -35.220 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.954 -14.852 -35.974 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.253 -14.779 -34.202 1.00 0.00 N ATOM 0 H ASN A 23 86.807 -16.074 -35.642 1.00 0.00 H new ATOM 0 HA ASN A 23 88.400 -17.400 -37.420 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.208 -17.405 -34.520 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.130 -16.913 -35.927 1.00 0.00 H new ATOM 0 HD21 ASN A 23 88.994 -13.808 -34.029 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.909 -15.251 -33.579 1.00 0.00 H new ATOM 350 N TYR A 24 87.531 -19.392 -34.918 1.00 0.00 N ATOM 351 CA TYR A 24 87.427 -20.793 -34.529 1.00 0.00 C ATOM 352 C TYR A 24 86.740 -21.605 -35.623 1.00 0.00 C ATOM 353 O TYR A 24 87.326 -22.531 -36.182 1.00 0.00 O ATOM 354 CB TYR A 24 86.634 -20.915 -33.226 1.00 0.00 C ATOM 355 CG TYR A 24 87.586 -20.881 -32.054 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.432 -19.780 -31.871 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.620 -21.948 -31.149 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.314 -19.748 -30.784 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.503 -21.916 -30.062 1.00 0.00 C ATOM 360 CZ TYR A 24 89.349 -20.815 -29.879 1.00 0.00 C ATOM 361 OH TYR A 24 90.219 -20.784 -28.808 1.00 0.00 O ATOM 0 H TYR A 24 87.161 -18.732 -34.234 1.00 0.00 H new ATOM 0 HA TYR A 24 88.433 -21.185 -34.381 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.914 -20.100 -33.148 1.00 0.00 H new ATOM 0 HB3 TYR A 24 86.065 -21.845 -33.219 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.404 -18.956 -32.568 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.966 -22.796 -31.289 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.968 -18.900 -30.644 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.531 -22.740 -29.365 1.00 0.00 H new ATOM 0 HH TYR A 24 90.115 -21.602 -28.278 1.00 0.00 H new ATOM 371 N ASP A 25 85.494 -21.251 -35.923 1.00 0.00 N ATOM 372 CA ASP A 25 84.738 -21.953 -36.954 1.00 0.00 C ATOM 373 C ASP A 25 85.411 -21.797 -38.314 1.00 0.00 C ATOM 374 O ASP A 25 85.521 -22.757 -39.076 1.00 0.00 O ATOM 375 CB ASP A 25 83.312 -21.402 -37.022 1.00 0.00 C ATOM 376 CG ASP A 25 82.507 -21.887 -35.822 1.00 0.00 C ATOM 377 OD1 ASP A 25 83.017 -22.719 -35.089 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.393 -21.419 -35.652 1.00 0.00 O ATOM 0 H ASP A 25 84.990 -20.488 -35.471 1.00 0.00 H new ATOM 0 HA ASP A 25 84.707 -23.012 -36.697 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.335 -20.312 -37.038 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.833 -21.725 -37.946 1.00 0.00 H new ATOM 383 N CYS A 26 85.859 -20.581 -38.611 1.00 0.00 N ATOM 384 CA CYS A 26 86.517 -20.311 -39.884 1.00 0.00 C ATOM 385 C CYS A 26 87.791 -21.140 -40.018 1.00 0.00 C ATOM 386 O CYS A 26 88.148 -21.575 -41.113 1.00 0.00 O ATOM 387 CB CYS A 26 86.861 -18.824 -39.987 1.00 0.00 C ATOM 388 SG CYS A 26 86.104 -18.133 -41.478 1.00 0.00 S ATOM 0 H CYS A 26 85.779 -19.773 -37.993 1.00 0.00 H new ATOM 0 HA CYS A 26 85.835 -20.584 -40.689 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.502 -18.294 -39.105 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.942 -18.691 -40.020 1.00 0.00 H new ATOM 393 N LYS A 27 88.472 -21.356 -38.896 1.00 0.00 N ATOM 394 CA LYS A 27 89.709 -22.128 -38.903 1.00 0.00 C ATOM 395 C LYS A 27 89.407 -23.623 -38.887 1.00 0.00 C ATOM 396 O LYS A 27 90.121 -24.416 -39.501 1.00 0.00 O ATOM 397 CB LYS A 27 90.559 -21.763 -37.684 1.00 0.00 C ATOM 398 CG LYS A 27 91.079 -20.332 -37.835 1.00 0.00 C ATOM 399 CD LYS A 27 91.394 -19.755 -36.452 1.00 0.00 C ATOM 400 CE LYS A 27 92.567 -20.519 -35.835 1.00 0.00 C ATOM 401 NZ LYS A 27 93.715 -20.518 -36.784 1.00 0.00 N ATOM 0 H LYS A 27 88.191 -21.010 -37.978 1.00 0.00 H new ATOM 0 HA LYS A 27 90.259 -21.890 -39.813 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.966 -21.852 -36.774 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.394 -22.457 -37.589 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.974 -20.323 -38.457 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.335 -19.714 -38.338 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.639 -18.696 -36.535 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.518 -19.829 -35.807 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.860 -20.057 -34.892 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.269 -21.543 -35.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.598 -20.688 -36.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.581 -21.269 -37.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.769 -19.596 -37.263 1.00 0.00 H new ATOM 415 N LEU A 28 88.346 -24.000 -38.182 1.00 0.00 N ATOM 416 CA LEU A 28 87.975 -25.405 -38.070 1.00 0.00 C ATOM 417 C LEU A 28 87.157 -25.840 -39.282 1.00 0.00 C ATOM 418 O LEU A 28 87.123 -27.021 -39.628 1.00 0.00 O ATOM 419 CB LEU A 28 87.163 -25.631 -36.793 1.00 0.00 C ATOM 420 CG LEU A 28 88.001 -25.232 -35.579 1.00 0.00 C ATOM 421 CD1 LEU A 28 87.077 -24.898 -34.406 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.918 -26.393 -35.189 1.00 0.00 C ATOM 0 H LEU A 28 87.732 -23.357 -37.683 1.00 0.00 H new ATOM 0 HA LEU A 28 88.887 -26.001 -38.029 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.246 -25.043 -36.824 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.869 -26.678 -36.717 1.00 0.00 H new ATOM 0 HG LEU A 28 88.604 -24.358 -35.827 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.676 -24.614 -33.541 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.423 -24.071 -34.682 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.473 -25.771 -34.158 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.516 -26.109 -34.323 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.314 -27.266 -34.943 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.578 -26.632 -36.023 1.00 0.00 H new ATOM 434 N ASP A 29 86.500 -24.878 -39.922 1.00 0.00 N ATOM 435 CA ASP A 29 85.629 -25.183 -41.052 1.00 0.00 C ATOM 436 C ASP A 29 86.402 -25.086 -42.363 1.00 0.00 C ATOM 437 O ASP A 29 86.550 -26.073 -43.083 1.00 0.00 O ATOM 438 CB ASP A 29 84.450 -24.209 -41.080 1.00 0.00 C ATOM 439 CG ASP A 29 83.615 -24.363 -39.813 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.926 -25.243 -39.026 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.676 -23.602 -39.648 1.00 0.00 O ATOM 0 H ASP A 29 86.553 -23.888 -39.680 1.00 0.00 H new ATOM 0 HA ASP A 29 85.256 -26.201 -40.936 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.815 -23.185 -41.162 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.832 -24.398 -41.958 1.00 0.00 H new ATOM 446 N LYS A 30 86.895 -23.889 -42.667 1.00 0.00 N ATOM 447 CA LYS A 30 87.579 -23.653 -43.932 1.00 0.00 C ATOM 448 C LYS A 30 89.075 -23.461 -43.703 1.00 0.00 C ATOM 449 O LYS A 30 89.844 -23.312 -44.654 1.00 0.00 O ATOM 450 CB LYS A 30 87.000 -22.414 -44.617 1.00 0.00 C ATOM 451 CG LYS A 30 85.480 -22.394 -44.440 1.00 0.00 C ATOM 452 CD LYS A 30 84.872 -23.630 -45.108 1.00 0.00 C ATOM 453 CE LYS A 30 83.350 -23.482 -45.165 1.00 0.00 C ATOM 454 NZ LYS A 30 82.771 -24.611 -45.949 1.00 0.00 N ATOM 0 H LYS A 30 86.834 -23.073 -42.058 1.00 0.00 H new ATOM 0 HA LYS A 30 87.430 -24.522 -44.573 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.438 -21.512 -44.190 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.253 -22.420 -45.677 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.227 -22.379 -43.380 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.064 -21.488 -44.880 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.275 -23.748 -46.114 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.140 -24.527 -44.550 1.00 0.00 H new ATOM 0 HE2 LYS A 30 82.936 -23.475 -44.157 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.083 -22.531 -45.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.737 -24.512 -45.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.157 -24.597 -46.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.015 -25.512 -45.491 1.00 0.00 H new ATOM 468 N HIS A 31 89.480 -23.464 -42.438 1.00 0.00 N ATOM 469 CA HIS A 31 90.888 -23.298 -42.094 1.00 0.00 C ATOM 470 C HIS A 31 91.368 -21.898 -42.462 1.00 0.00 C ATOM 471 O HIS A 31 92.294 -21.737 -43.257 1.00 0.00 O ATOM 472 CB HIS A 31 91.732 -24.338 -42.832 1.00 0.00 C ATOM 473 CG HIS A 31 91.022 -25.664 -42.817 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.192 -26.582 -41.793 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.137 -26.240 -43.693 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.427 -27.652 -42.075 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.762 -27.495 -43.224 1.00 0.00 N ATOM 0 H HIS A 31 88.858 -23.579 -41.638 1.00 0.00 H new ATOM 0 HA HIS A 31 90.998 -23.437 -41.019 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.905 -24.018 -43.859 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.709 -24.431 -42.358 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.785 -25.788 -44.608 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.358 -28.530 -41.450 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.118 -28.154 -43.662 1.00 0.00 H new ATOM 485 N ALA A 32 90.735 -20.886 -41.877 1.00 0.00 N ATOM 486 CA ALA A 32 91.113 -19.503 -42.146 1.00 0.00 C ATOM 487 C ALA A 32 92.243 -19.067 -41.219 1.00 0.00 C ATOM 488 O ALA A 32 92.896 -19.897 -40.587 1.00 0.00 O ATOM 489 CB ALA A 32 89.906 -18.584 -41.951 1.00 0.00 C ATOM 0 H ALA A 32 89.964 -20.996 -41.219 1.00 0.00 H new ATOM 0 HA ALA A 32 91.458 -19.434 -43.178 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.197 -17.553 -42.154 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.110 -18.878 -42.636 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.549 -18.665 -40.924 1.00 0.00 H new ATOM 495 N ARG A 33 92.466 -17.760 -41.143 1.00 0.00 N ATOM 496 CA ARG A 33 93.526 -17.224 -40.297 1.00 0.00 C ATOM 497 C ARG A 33 92.940 -16.360 -39.185 1.00 0.00 C ATOM 498 O ARG A 33 93.278 -16.526 -38.013 1.00 0.00 O ATOM 499 CB ARG A 33 94.495 -16.390 -41.138 1.00 0.00 C ATOM 500 CG ARG A 33 95.175 -17.286 -42.173 1.00 0.00 C ATOM 501 CD ARG A 33 96.201 -16.469 -42.961 1.00 0.00 C ATOM 502 NE ARG A 33 97.308 -16.081 -42.097 1.00 0.00 N ATOM 503 CZ ARG A 33 98.251 -16.954 -41.754 1.00 0.00 C ATOM 504 NH1 ARG A 33 98.193 -18.182 -42.190 1.00 0.00 N ATOM 505 NH2 ARG A 33 99.233 -16.583 -40.979 1.00 0.00 N ATOM 0 H ARG A 33 91.932 -17.056 -41.653 1.00 0.00 H new ATOM 0 HA ARG A 33 94.063 -18.059 -39.847 1.00 0.00 H new ATOM 0 HB2 ARG A 33 93.958 -15.583 -41.637 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.243 -15.926 -40.496 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.665 -18.124 -41.678 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.431 -17.706 -42.850 1.00 0.00 H new ATOM 0 HD2 ARG A 33 96.574 -17.054 -43.801 1.00 0.00 H new ATOM 0 HD3 ARG A 33 95.726 -15.580 -43.377 1.00 0.00 H new ATOM 0 HE ARG A 33 97.361 -15.124 -41.749 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.424 -18.473 -42.794 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.916 -18.851 -41.927 1.00 0.00 H new ATOM 0 HH21 ARG A 33 99.278 -15.623 -40.636 1.00 0.00 H new ATOM 0 HH22 ARG A 33 99.956 -17.253 -40.716 1.00 0.00 H new ATOM 519 N SER A 34 92.061 -15.437 -39.562 1.00 0.00 N ATOM 520 CA SER A 34 91.472 -14.519 -38.594 1.00 0.00 C ATOM 521 C SER A 34 89.950 -14.619 -38.616 1.00 0.00 C ATOM 522 O SER A 34 89.270 -14.081 -37.742 1.00 0.00 O ATOM 523 CB SER A 34 91.895 -13.084 -38.911 1.00 0.00 C ATOM 524 OG SER A 34 90.974 -12.517 -39.834 1.00 0.00 O ATOM 0 H SER A 34 91.743 -15.305 -40.522 1.00 0.00 H new ATOM 0 HA SER A 34 91.828 -14.792 -37.601 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.924 -12.491 -37.997 1.00 0.00 H new ATOM 0 HB3 SER A 34 92.901 -13.073 -39.330 1.00 0.00 H new ATOM 0 HG SER A 34 91.241 -11.596 -40.039 1.00 0.00 H new ATOM 530 N GLY A 35 89.422 -15.312 -39.619 1.00 0.00 N ATOM 531 CA GLY A 35 87.977 -15.464 -39.751 1.00 0.00 C ATOM 532 C GLY A 35 87.254 -14.199 -39.301 1.00 0.00 C ATOM 533 O GLY A 35 86.553 -14.200 -38.289 1.00 0.00 O ATOM 0 H GLY A 35 89.967 -15.774 -40.347 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.724 -15.683 -40.788 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.640 -16.312 -39.155 1.00 0.00 H new ATOM 537 N GLU A 36 87.429 -13.122 -40.059 1.00 0.00 N ATOM 538 CA GLU A 36 86.823 -11.844 -39.705 1.00 0.00 C ATOM 539 C GLU A 36 85.403 -11.755 -40.253 1.00 0.00 C ATOM 540 O GLU A 36 85.106 -12.285 -41.324 1.00 0.00 O ATOM 541 CB GLU A 36 87.661 -10.694 -40.265 1.00 0.00 C ATOM 542 CG GLU A 36 88.737 -10.303 -39.250 1.00 0.00 C ATOM 543 CD GLU A 36 88.097 -9.613 -38.050 1.00 0.00 C ATOM 544 OE1 GLU A 36 86.962 -9.184 -38.174 1.00 0.00 O ATOM 545 OE2 GLU A 36 88.752 -9.522 -37.025 1.00 0.00 O ATOM 0 H GLU A 36 87.981 -13.108 -40.916 1.00 0.00 H new ATOM 0 HA GLU A 36 86.787 -11.770 -38.618 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.125 -10.993 -41.205 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.023 -9.837 -40.482 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.279 -11.190 -38.923 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.464 -9.639 -39.717 1.00 0.00 H new ATOM 552 N CYS A 37 84.529 -11.082 -39.511 1.00 0.00 N ATOM 553 CA CYS A 37 83.142 -10.927 -39.933 1.00 0.00 C ATOM 554 C CYS A 37 82.990 -9.709 -40.840 1.00 0.00 C ATOM 555 O CYS A 37 83.788 -8.774 -40.777 1.00 0.00 O ATOM 556 CB CYS A 37 82.178 -10.691 -38.734 1.00 0.00 C ATOM 557 SG CYS A 37 81.465 -12.228 -38.098 1.00 0.00 S ATOM 0 H CYS A 37 84.755 -10.638 -38.621 1.00 0.00 H new ATOM 0 HA CYS A 37 82.886 -11.855 -40.445 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.718 -10.187 -37.933 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.374 -10.024 -39.045 1.00 0.00 H new ATOM 562 N PHE A 38 81.962 -9.728 -41.681 1.00 0.00 N ATOM 563 CA PHE A 38 81.693 -8.605 -42.570 1.00 0.00 C ATOM 564 C PHE A 38 80.194 -8.457 -42.809 1.00 0.00 C ATOM 565 O PHE A 38 79.408 -9.328 -42.437 1.00 0.00 O ATOM 566 CB PHE A 38 82.406 -8.814 -43.908 1.00 0.00 C ATOM 567 CG PHE A 38 83.899 -8.715 -43.704 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.612 -9.811 -43.205 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.569 -7.525 -44.014 1.00 0.00 C ATOM 570 CE1 PHE A 38 85.996 -9.719 -43.017 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.954 -7.433 -43.825 1.00 0.00 C ATOM 572 CZ PHE A 38 86.667 -8.530 -43.326 1.00 0.00 C ATOM 0 H PHE A 38 81.305 -10.504 -41.766 1.00 0.00 H new ATOM 0 HA PHE A 38 82.066 -7.696 -42.098 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.149 -9.789 -44.321 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.076 -8.066 -44.629 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.094 -10.728 -42.965 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.019 -6.679 -44.398 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.546 -10.565 -42.633 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.472 -6.516 -44.064 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.735 -8.459 -43.180 1.00 0.00 H new ATOM 582 N TYR A 39 79.805 -7.349 -43.433 1.00 0.00 N ATOM 583 CA TYR A 39 78.396 -7.100 -43.717 1.00 0.00 C ATOM 584 C TYR A 39 78.066 -7.473 -45.159 1.00 0.00 C ATOM 585 O TYR A 39 78.694 -6.982 -46.097 1.00 0.00 O ATOM 586 CB TYR A 39 78.069 -5.624 -43.482 1.00 0.00 C ATOM 587 CG TYR A 39 78.058 -5.341 -41.999 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.873 -5.488 -41.267 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.233 -4.933 -41.356 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.863 -5.226 -39.892 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.223 -4.671 -39.981 1.00 0.00 C ATOM 592 CZ TYR A 39 78.038 -4.818 -39.248 1.00 0.00 C ATOM 593 OH TYR A 39 78.029 -4.561 -37.893 1.00 0.00 O ATOM 0 H TYR A 39 80.439 -6.615 -43.749 1.00 0.00 H new ATOM 0 HA TYR A 39 77.795 -7.716 -43.048 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.807 -4.994 -43.978 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.099 -5.382 -43.917 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.967 -5.803 -41.763 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.147 -4.820 -41.921 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.949 -5.338 -39.328 1.00 0.00 H new ATOM 0 HE2 TYR A 39 80.129 -4.355 -39.485 1.00 0.00 H new ATOM 0 HH TYR A 39 78.926 -4.290 -37.606 1.00 0.00 H new ATOM 603 N ASP A 40 77.078 -8.346 -45.328 1.00 0.00 N ATOM 604 CA ASP A 40 76.674 -8.779 -46.660 1.00 0.00 C ATOM 605 C ASP A 40 75.380 -8.087 -47.079 1.00 0.00 C ATOM 606 O ASP A 40 74.988 -7.077 -46.495 1.00 0.00 O ATOM 607 CB ASP A 40 76.471 -10.296 -46.677 1.00 0.00 C ATOM 608 CG ASP A 40 77.812 -11.002 -46.508 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.819 -10.315 -46.452 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.813 -12.220 -46.436 1.00 0.00 O ATOM 0 H ASP A 40 76.546 -8.765 -44.565 1.00 0.00 H new ATOM 0 HA ASP A 40 77.462 -8.510 -47.363 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.792 -10.590 -45.876 1.00 0.00 H new ATOM 0 HB3 ASP A 40 76.007 -10.599 -47.615 1.00 0.00 H new ATOM 615 N GLU A 41 74.723 -8.638 -48.094 1.00 0.00 N ATOM 616 CA GLU A 41 73.477 -8.062 -48.587 1.00 0.00 C ATOM 617 C GLU A 41 72.426 -8.031 -47.482 1.00 0.00 C ATOM 618 O GLU A 41 71.510 -7.210 -47.507 1.00 0.00 O ATOM 619 CB GLU A 41 72.955 -8.882 -49.769 1.00 0.00 C ATOM 620 CG GLU A 41 71.762 -8.163 -50.403 1.00 0.00 C ATOM 621 CD GLU A 41 71.193 -9.000 -51.543 1.00 0.00 C ATOM 622 OE1 GLU A 41 71.723 -10.072 -51.785 1.00 0.00 O ATOM 623 OE2 GLU A 41 70.237 -8.557 -52.157 1.00 0.00 O ATOM 0 H GLU A 41 75.029 -9.476 -48.588 1.00 0.00 H new ATOM 0 HA GLU A 41 73.674 -7.041 -48.912 1.00 0.00 H new ATOM 0 HB2 GLU A 41 73.745 -9.019 -50.507 1.00 0.00 H new ATOM 0 HB3 GLU A 41 72.658 -9.875 -49.433 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.992 -7.986 -49.652 1.00 0.00 H new ATOM 0 HG3 GLU A 41 72.072 -7.187 -50.777 1.00 0.00 H new ATOM 630 N LYS A 42 72.567 -8.932 -46.515 1.00 0.00 N ATOM 631 CA LYS A 42 71.621 -9.001 -45.407 1.00 0.00 C ATOM 632 C LYS A 42 72.142 -8.219 -44.206 1.00 0.00 C ATOM 633 O LYS A 42 71.686 -8.413 -43.080 1.00 0.00 O ATOM 634 CB LYS A 42 71.391 -10.460 -45.006 1.00 0.00 C ATOM 635 CG LYS A 42 70.781 -11.223 -46.183 1.00 0.00 C ATOM 636 CD LYS A 42 70.815 -12.724 -45.892 1.00 0.00 C ATOM 637 CE LYS A 42 70.003 -13.019 -44.630 1.00 0.00 C ATOM 638 NZ LYS A 42 69.629 -14.462 -44.605 1.00 0.00 N ATOM 0 H LYS A 42 73.320 -9.619 -46.476 1.00 0.00 H new ATOM 0 HA LYS A 42 70.679 -8.560 -45.732 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.334 -10.920 -44.710 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.727 -10.511 -44.143 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.754 -10.897 -46.348 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.335 -11.006 -47.097 1.00 0.00 H new ATOM 0 HD2 LYS A 42 70.407 -13.278 -46.737 1.00 0.00 H new ATOM 0 HD3 LYS A 42 71.845 -13.056 -45.760 1.00 0.00 H new ATOM 0 HE2 LYS A 42 70.585 -12.768 -43.743 1.00 0.00 H new ATOM 0 HE3 LYS A 42 69.106 -12.400 -44.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 69.077 -14.663 -43.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 69.058 -14.687 -45.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 70.491 -15.044 -44.606 1.00 0.00 H new ATOM 652 N ARG A 43 73.102 -7.334 -44.456 1.00 0.00 N ATOM 653 CA ARG A 43 73.691 -6.539 -43.384 1.00 0.00 C ATOM 654 C ARG A 43 73.973 -7.410 -42.163 1.00 0.00 C ATOM 655 O ARG A 43 74.028 -6.917 -41.037 1.00 0.00 O ATOM 656 CB ARG A 43 72.743 -5.403 -42.995 1.00 0.00 C ATOM 657 CG ARG A 43 72.970 -4.208 -43.924 1.00 0.00 C ATOM 658 CD ARG A 43 71.770 -3.263 -43.844 1.00 0.00 C ATOM 659 NE ARG A 43 71.186 -3.303 -42.508 1.00 0.00 N ATOM 660 CZ ARG A 43 70.480 -2.280 -42.037 1.00 0.00 C ATOM 661 NH1 ARG A 43 70.301 -1.218 -42.772 1.00 0.00 N ATOM 662 NH2 ARG A 43 69.965 -2.339 -40.838 1.00 0.00 N ATOM 0 H ARG A 43 73.486 -7.150 -45.383 1.00 0.00 H new ATOM 0 HA ARG A 43 74.632 -6.121 -43.742 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.708 -5.739 -43.063 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.915 -5.110 -41.959 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.881 -3.681 -43.640 1.00 0.00 H new ATOM 0 HG3 ARG A 43 73.108 -4.552 -44.949 1.00 0.00 H new ATOM 0 HD2 ARG A 43 72.082 -2.246 -44.082 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.023 -3.549 -44.584 1.00 0.00 H new ATOM 0 HE ARG A 43 71.322 -4.129 -41.926 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.703 -1.172 -43.708 1.00 0.00 H new ATOM 0 HH12 ARG A 43 69.759 -0.433 -42.411 1.00 0.00 H new ATOM 0 HH21 ARG A 43 70.105 -3.170 -40.263 1.00 0.00 H new ATOM 0 HH22 ARG A 43 69.423 -1.554 -40.476 1.00 0.00 H new ATOM 676 N ASN A 44 74.151 -8.706 -42.396 1.00 0.00 N ATOM 677 CA ASN A 44 74.433 -9.636 -41.308 1.00 0.00 C ATOM 678 C ASN A 44 75.933 -9.886 -41.194 1.00 0.00 C ATOM 679 O ASN A 44 76.660 -9.819 -42.184 1.00 0.00 O ATOM 680 CB ASN A 44 73.708 -10.962 -41.554 1.00 0.00 C ATOM 681 CG ASN A 44 72.239 -10.833 -41.166 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.793 -9.757 -40.770 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.456 -11.873 -41.258 1.00 0.00 N ATOM 0 H ASN A 44 74.106 -9.134 -43.321 1.00 0.00 H new ATOM 0 HA ASN A 44 74.078 -9.196 -40.376 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.792 -11.243 -42.604 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.178 -11.756 -40.973 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.472 -11.795 -41.001 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.828 -12.764 -41.587 1.00 0.00 H new ATOM 690 N LEU A 45 76.388 -10.174 -39.978 1.00 0.00 N ATOM 691 CA LEU A 45 77.802 -10.453 -39.750 1.00 0.00 C ATOM 692 C LEU A 45 78.129 -11.898 -40.112 1.00 0.00 C ATOM 693 O LEU A 45 77.726 -12.829 -39.415 1.00 0.00 O ATOM 694 CB LEU A 45 78.152 -10.201 -38.282 1.00 0.00 C ATOM 695 CG LEU A 45 77.310 -9.041 -37.747 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.632 -8.815 -36.269 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.632 -7.772 -38.538 1.00 0.00 C ATOM 0 H LEU A 45 75.804 -10.220 -39.143 1.00 0.00 H new ATOM 0 HA LEU A 45 78.391 -9.790 -40.384 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.967 -11.100 -37.694 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.213 -9.969 -38.185 1.00 0.00 H new ATOM 0 HG LEU A 45 76.252 -9.280 -37.855 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.032 -7.989 -35.888 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.404 -9.719 -35.705 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.690 -8.576 -36.159 1.00 0.00 H new ATOM 0 HD21 LEU A 45 77.033 -6.945 -38.158 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.690 -7.534 -38.429 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.403 -7.932 -39.592 1.00 0.00 H new ATOM 709 N GLN A 46 78.863 -12.077 -41.206 1.00 0.00 N ATOM 710 CA GLN A 46 79.217 -13.415 -41.666 1.00 0.00 C ATOM 711 C GLN A 46 80.714 -13.657 -41.502 1.00 0.00 C ATOM 712 O GLN A 46 81.535 -12.913 -42.037 1.00 0.00 O ATOM 713 CB GLN A 46 78.830 -13.580 -43.137 1.00 0.00 C ATOM 714 CG GLN A 46 77.364 -13.187 -43.326 1.00 0.00 C ATOM 715 CD GLN A 46 76.456 -14.234 -42.691 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.936 -15.253 -42.192 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.165 -14.045 -42.679 1.00 0.00 N ATOM 0 H GLN A 46 79.222 -11.319 -41.786 1.00 0.00 H new ATOM 0 HA GLN A 46 78.674 -14.143 -41.064 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.468 -12.957 -43.764 1.00 0.00 H new ATOM 0 HB3 GLN A 46 78.984 -14.612 -43.451 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.179 -12.212 -42.875 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.138 -13.094 -44.388 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.769 -13.201 -43.093 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.552 -14.741 -42.256 1.00 0.00 H new ATOM 726 N CYS A 47 81.061 -14.703 -40.758 1.00 0.00 N ATOM 727 CA CYS A 47 82.463 -15.052 -40.556 1.00 0.00 C ATOM 728 C CYS A 47 83.137 -15.357 -41.889 1.00 0.00 C ATOM 729 O CYS A 47 82.852 -16.375 -42.521 1.00 0.00 O ATOM 730 CB CYS A 47 82.616 -16.278 -39.641 1.00 0.00 C ATOM 731 SG CYS A 47 81.716 -16.080 -38.083 1.00 0.00 S ATOM 0 H CYS A 47 80.397 -15.319 -40.289 1.00 0.00 H new ATOM 0 HA CYS A 47 82.938 -14.193 -40.083 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.252 -17.165 -40.160 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.673 -16.443 -39.431 1.00 0.00 H new ATOM 736 N ILE A 48 84.032 -14.471 -42.312 1.00 0.00 N ATOM 737 CA ILE A 48 84.726 -14.647 -43.583 1.00 0.00 C ATOM 738 C ILE A 48 86.119 -15.227 -43.357 1.00 0.00 C ATOM 739 O ILE A 48 86.964 -14.606 -42.713 1.00 0.00 O ATOM 740 CB ILE A 48 84.842 -13.304 -44.305 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.445 -12.814 -44.694 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.690 -13.473 -45.566 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.564 -11.738 -45.775 1.00 0.00 C ATOM 0 H ILE A 48 84.293 -13.629 -41.798 1.00 0.00 H new ATOM 0 HA ILE A 48 84.151 -15.341 -44.196 1.00 0.00 H new ATOM 0 HB ILE A 48 85.314 -12.576 -43.645 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.845 -13.647 -45.060 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.933 -12.411 -43.820 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.772 -12.515 -46.080 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.685 -13.824 -45.291 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.218 -14.200 -46.227 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.569 -11.389 -46.052 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.149 -10.901 -45.393 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.059 -12.156 -46.652 1.00 0.00 H new ATOM 755 N CYS A 49 86.351 -16.421 -43.893 1.00 0.00 N ATOM 756 CA CYS A 49 87.653 -17.064 -43.763 1.00 0.00 C ATOM 757 C CYS A 49 88.661 -16.432 -44.717 1.00 0.00 C ATOM 758 O CYS A 49 88.476 -16.452 -45.934 1.00 0.00 O ATOM 759 CB CYS A 49 87.530 -18.548 -44.112 1.00 0.00 C ATOM 760 SG CYS A 49 86.534 -19.478 -42.922 1.00 0.00 S ATOM 0 H CYS A 49 85.661 -16.959 -44.417 1.00 0.00 H new ATOM 0 HA CYS A 49 87.994 -16.939 -42.735 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.087 -18.646 -45.103 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.527 -18.987 -44.164 1.00 0.00 H new ATOM 765 N ASP A 50 89.728 -15.870 -44.156 1.00 0.00 N ATOM 766 CA ASP A 50 90.742 -15.205 -44.966 1.00 0.00 C ATOM 767 C ASP A 50 92.047 -15.994 -44.943 1.00 0.00 C ATOM 768 O ASP A 50 92.671 -16.152 -43.894 1.00 0.00 O ATOM 769 CB ASP A 50 90.990 -13.792 -44.435 1.00 0.00 C ATOM 770 CG ASP A 50 89.667 -13.143 -44.043 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.664 -13.474 -44.652 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.676 -12.325 -43.138 1.00 0.00 O ATOM 0 H ASP A 50 89.912 -15.862 -43.153 1.00 0.00 H new ATOM 0 HA ASP A 50 90.381 -15.149 -45.993 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.655 -13.830 -43.573 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.488 -13.191 -45.196 1.00 0.00 H new ATOM 777 N TYR A 51 92.453 -16.489 -46.108 1.00 0.00 N ATOM 778 CA TYR A 51 93.711 -17.218 -46.220 1.00 0.00 C ATOM 779 C TYR A 51 94.761 -16.367 -46.929 1.00 0.00 C ATOM 780 O TYR A 51 95.248 -16.730 -47.999 1.00 0.00 O ATOM 781 CB TYR A 51 93.492 -18.517 -46.997 1.00 0.00 C ATOM 782 CG TYR A 51 92.083 -19.009 -46.766 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.810 -19.874 -45.698 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.050 -18.601 -47.618 1.00 0.00 C ATOM 785 CE1 TYR A 51 90.504 -20.330 -45.484 1.00 0.00 C ATOM 786 CE2 TYR A 51 89.743 -19.056 -47.402 1.00 0.00 C ATOM 787 CZ TYR A 51 89.471 -19.921 -46.336 1.00 0.00 C ATOM 788 OH TYR A 51 88.183 -20.371 -46.124 1.00 0.00 O ATOM 0 H TYR A 51 91.934 -16.400 -46.981 1.00 0.00 H new ATOM 0 HA TYR A 51 94.067 -17.451 -45.217 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.661 -18.350 -48.061 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.210 -19.272 -46.675 1.00 0.00 H new ATOM 0 HD1 TYR A 51 92.607 -20.189 -45.040 1.00 0.00 H new ATOM 0 HD2 TYR A 51 91.261 -17.935 -48.442 1.00 0.00 H new ATOM 0 HE1 TYR A 51 90.293 -20.997 -44.662 1.00 0.00 H new ATOM 0 HE2 TYR A 51 88.945 -18.739 -48.058 1.00 0.00 H new ATOM 0 HH TYR A 51 87.588 -19.992 -46.804 1.00 0.00 H new ATOM 798 N CYS A 52 95.105 -15.235 -46.323 1.00 0.00 N ATOM 799 CA CYS A 52 96.081 -14.328 -46.917 1.00 0.00 C ATOM 800 C CYS A 52 96.425 -13.202 -45.947 1.00 0.00 C ATOM 801 O CYS A 52 96.087 -13.264 -44.765 1.00 0.00 O ATOM 802 CB CYS A 52 95.523 -13.735 -48.211 1.00 0.00 C ATOM 803 SG CYS A 52 95.806 -14.890 -49.576 1.00 0.00 S ATOM 0 H CYS A 52 94.726 -14.925 -45.428 1.00 0.00 H new ATOM 0 HA CYS A 52 96.987 -14.893 -47.137 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.456 -13.538 -48.103 1.00 0.00 H new ATOM 0 HB3 CYS A 52 96.004 -12.780 -48.423 1.00 0.00 H new ATOM 808 N GLU A 53 97.102 -12.177 -46.454 1.00 0.00 N ATOM 809 CA GLU A 53 97.468 -11.034 -45.627 1.00 0.00 C ATOM 810 C GLU A 53 96.587 -9.832 -45.952 1.00 0.00 C ATOM 811 O GLU A 53 97.034 -8.876 -46.586 1.00 0.00 O ATOM 812 CB GLU A 53 98.936 -10.669 -45.859 1.00 0.00 C ATOM 813 CG GLU A 53 99.829 -11.805 -45.354 1.00 0.00 C ATOM 814 CD GLU A 53 101.297 -11.423 -45.513 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.560 -10.404 -46.130 1.00 0.00 O ATOM 816 OE2 GLU A 53 102.136 -12.156 -45.016 1.00 0.00 O ATOM 0 H GLU A 53 97.406 -12.114 -47.426 1.00 0.00 H new ATOM 0 HA GLU A 53 97.322 -11.306 -44.582 1.00 0.00 H new ATOM 0 HB2 GLU A 53 99.115 -10.495 -46.920 1.00 0.00 H new ATOM 0 HB3 GLU A 53 99.178 -9.742 -45.339 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.610 -12.013 -44.307 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.620 -12.718 -45.911 1.00 0.00 H new ATOM 823 N TYR A 54 95.333 -9.887 -45.515 1.00 0.00 N ATOM 824 CA TYR A 54 94.400 -8.793 -45.760 1.00 0.00 C ATOM 825 C TYR A 54 94.571 -8.250 -47.174 1.00 0.00 C ATOM 826 CB TYR A 54 94.634 -7.671 -44.748 1.00 0.00 C ATOM 827 CG TYR A 54 94.615 -8.241 -43.350 1.00 0.00 C ATOM 828 CD1 TYR A 54 95.767 -8.837 -42.821 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.447 -8.173 -42.582 1.00 0.00 C ATOM 830 CE1 TYR A 54 95.749 -9.366 -41.525 1.00 0.00 C ATOM 831 CE2 TYR A 54 93.429 -8.702 -41.285 1.00 0.00 C ATOM 832 CZ TYR A 54 94.580 -9.298 -40.757 1.00 0.00 C ATOM 833 OH TYR A 54 94.563 -9.820 -39.479 1.00 0.00 O ATOM 0 H TYR A 54 94.941 -10.671 -44.993 1.00 0.00 H new ATOM 0 HA TYR A 54 93.385 -9.174 -45.650 1.00 0.00 H new ATOM 0 HB2 TYR A 54 95.591 -7.186 -44.941 1.00 0.00 H new ATOM 0 HB3 TYR A 54 93.863 -6.907 -44.851 1.00 0.00 H new ATOM 0 HD1 TYR A 54 96.669 -8.888 -43.413 1.00 0.00 H new ATOM 0 HD2 TYR A 54 92.559 -7.712 -42.989 1.00 0.00 H new ATOM 0 HE1 TYR A 54 96.637 -9.827 -41.117 1.00 0.00 H new ATOM 0 HE2 TYR A 54 92.527 -8.650 -40.693 1.00 0.00 H new ATOM 0 HH TYR A 54 93.676 -9.689 -39.084 1.00 0.00 H new