USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 458 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 23 ASN : amide:sc= -0.0748 X(o=0.011,f=0.063) USER MOD Set 1.2: A 33 SER OG : rot -59:sc= 0.0859 USER MOD Set 2.1: A 5 TYR OH : rot 103:sc= -0.128 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.505 X(o=0.38,f=0.83) USER MOD Single : A 1 VAL N :NH3+ 175:sc= -0.479 (180deg=-0.524) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.57 K(o=-2.6,f=-10!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00351 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -99:sc= 0.813 USER MOD Single : A 29 ASN : amide:sc= 0.608 K(o=0.61,f=-1.3) USER MOD Single : A 35 TYR OH : rot -69:sc= 0.395 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.33 X(o=-1.3,f=-0.92) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.517 -0.399 -0.242 1.00 20.34 N ATOM 2 CA VAL A 1 2.359 -0.321 -1.429 1.00 62.42 C ATOM 3 C VAL A 1 2.888 1.093 -1.636 1.00 3.42 C ATOM 4 O VAL A 1 2.419 2.041 -1.005 1.00 24.33 O ATOM 5 CB VAL A 1 1.592 -0.760 -2.691 1.00 23.21 C ATOM 6 CG1 VAL A 1 1.284 -2.249 -2.638 1.00 12.34 C ATOM 7 CG2 VAL A 1 0.316 0.052 -2.847 1.00 53.03 C ATOM 0 H1 VAL A 1 1.103 -1.350 -0.172 1.00 20.34 H new ATOM 0 H2 VAL A 1 2.091 -0.208 0.604 1.00 20.34 H new ATOM 0 H3 VAL A 1 0.756 0.306 -0.310 1.00 20.34 H new ATOM 0 HA VAL A 1 3.197 -0.999 -1.267 1.00 62.42 H new ATOM 0 HB VAL A 1 2.222 -0.575 -3.561 1.00 23.21 H new ATOM 0 HG11 VAL A 1 0.742 -2.541 -3.538 1.00 12.34 H new ATOM 0 HG12 VAL A 1 2.216 -2.811 -2.577 1.00 12.34 H new ATOM 0 HG13 VAL A 1 0.673 -2.463 -1.761 1.00 12.34 H new ATOM 0 HG21 VAL A 1 -0.213 -0.271 -3.743 1.00 53.03 H new ATOM 0 HG22 VAL A 1 -0.320 -0.099 -1.975 1.00 53.03 H new ATOM 0 HG23 VAL A 1 0.566 1.109 -2.934 1.00 53.03 H new ATOM 17 N ARG A 2 3.867 1.229 -2.524 1.00 44.21 N ATOM 18 CA ARG A 2 4.461 2.529 -2.814 1.00 23.22 C ATOM 19 C ARG A 2 5.130 2.528 -4.186 1.00 34.54 C ATOM 20 O ARG A 2 5.646 1.504 -4.635 1.00 11.13 O ATOM 21 CB ARG A 2 5.484 2.898 -1.737 1.00 75.41 C ATOM 22 CG ARG A 2 6.057 1.696 -1.004 1.00 60.35 C ATOM 23 CD ARG A 2 6.824 0.782 -1.948 1.00 13.02 C ATOM 24 NE ARG A 2 7.447 -0.334 -1.242 1.00 60.42 N ATOM 25 CZ ARG A 2 8.467 -1.033 -1.728 1.00 4.24 C ATOM 26 NH1 ARG A 2 8.977 -0.731 -2.914 1.00 32.21 N ATOM 27 NH2 ARG A 2 8.981 -2.035 -1.026 1.00 34.13 N ATOM 0 H ARG A 2 4.266 0.455 -3.055 1.00 44.21 H new ATOM 0 HA ARG A 2 3.663 3.272 -2.818 1.00 23.22 H new ATOM 0 HB2 ARG A 2 6.300 3.454 -2.198 1.00 75.41 H new ATOM 0 HB3 ARG A 2 5.013 3.564 -1.014 1.00 75.41 H new ATOM 0 HG2 ARG A 2 6.719 2.036 -0.207 1.00 60.35 H new ATOM 0 HG3 ARG A 2 5.249 1.137 -0.531 1.00 60.35 H new ATOM 0 HD2 ARG A 2 6.146 0.396 -2.710 1.00 13.02 H new ATOM 0 HD3 ARG A 2 7.591 1.357 -2.466 1.00 13.02 H new ATOM 0 HE ARG A 2 7.079 -0.591 -0.326 1.00 60.42 H new ATOM 0 HH11 ARG A 2 8.586 0.040 -3.456 1.00 32.21 H new ATOM 0 HH12 ARG A 2 9.760 -1.269 -3.284 1.00 32.21 H new ATOM 0 HH21 ARG A 2 8.593 -2.269 -0.112 1.00 34.13 H new ATOM 0 HH22 ARG A 2 9.764 -2.571 -1.400 1.00 34.13 H new ATOM 41 N ASP A 3 5.115 3.680 -4.846 1.00 1.11 N ATOM 42 CA ASP A 3 5.720 3.813 -6.166 1.00 71.52 C ATOM 43 C ASP A 3 7.241 3.748 -6.076 1.00 4.51 C ATOM 44 O ASP A 3 7.830 4.133 -5.066 1.00 13.12 O ATOM 45 CB ASP A 3 5.290 5.128 -6.818 1.00 22.21 C ATOM 46 CG ASP A 3 3.916 5.578 -6.362 1.00 42.01 C ATOM 47 OD1 ASP A 3 3.012 4.721 -6.266 1.00 4.34 O ATOM 48 OD2 ASP A 3 3.745 6.787 -6.101 1.00 32.10 O ATOM 0 H ASP A 3 4.690 4.536 -4.489 1.00 1.11 H new ATOM 0 HA ASP A 3 5.375 2.982 -6.782 1.00 71.52 H new ATOM 0 HB2 ASP A 3 6.020 5.903 -6.582 1.00 22.21 H new ATOM 0 HB3 ASP A 3 5.289 5.010 -7.902 1.00 22.21 H new ATOM 53 N ALA A 4 7.872 3.259 -7.138 1.00 61.13 N ATOM 54 CA ALA A 4 9.325 3.145 -7.179 1.00 53.32 C ATOM 55 C ALA A 4 9.790 2.521 -8.490 1.00 72.33 C ATOM 56 O ALA A 4 8.984 2.253 -9.382 1.00 50.41 O ATOM 57 CB ALA A 4 9.824 2.328 -5.997 1.00 34.02 C ATOM 0 H ALA A 4 7.400 2.935 -7.982 1.00 61.13 H new ATOM 0 HA ALA A 4 9.745 4.149 -7.116 1.00 53.32 H new ATOM 0 HB1 ALA A 4 10.910 2.251 -6.041 1.00 34.02 H new ATOM 0 HB2 ALA A 4 9.532 2.817 -5.068 1.00 34.02 H new ATOM 0 HB3 ALA A 4 9.388 1.330 -6.035 1.00 34.02 H new ATOM 63 N TYR A 5 11.093 2.291 -8.601 1.00 44.31 N ATOM 64 CA TYR A 5 11.666 1.701 -9.805 1.00 70.11 C ATOM 65 C TYR A 5 11.711 0.180 -9.698 1.00 32.33 C ATOM 66 O TYR A 5 12.680 -0.390 -9.195 1.00 42.34 O ATOM 67 CB TYR A 5 13.074 2.248 -10.047 1.00 31.14 C ATOM 68 CG TYR A 5 13.138 3.294 -11.137 1.00 23.24 C ATOM 69 CD1 TYR A 5 12.820 2.976 -12.451 1.00 44.33 C ATOM 70 CD2 TYR A 5 13.516 4.600 -10.851 1.00 44.23 C ATOM 71 CE1 TYR A 5 12.879 3.929 -13.450 1.00 73.43 C ATOM 72 CE2 TYR A 5 13.576 5.559 -11.844 1.00 1.43 C ATOM 73 CZ TYR A 5 13.257 5.219 -13.142 1.00 31.35 C ATOM 74 OH TYR A 5 13.315 6.171 -14.134 1.00 32.54 O ATOM 0 H TYR A 5 11.773 2.504 -7.871 1.00 44.31 H new ATOM 0 HA TYR A 5 11.029 1.969 -10.648 1.00 70.11 H new ATOM 0 HB2 TYR A 5 13.452 2.678 -9.120 1.00 31.14 H new ATOM 0 HB3 TYR A 5 13.736 1.422 -10.308 1.00 31.14 H new ATOM 0 HD1 TYR A 5 12.522 1.967 -12.696 1.00 44.33 H new ATOM 0 HD2 TYR A 5 13.767 4.870 -9.836 1.00 44.23 H new ATOM 0 HE1 TYR A 5 12.630 3.665 -14.467 1.00 73.43 H new ATOM 0 HE2 TYR A 5 13.871 6.570 -11.605 1.00 1.43 H new ATOM 0 HH TYR A 5 12.529 6.754 -14.075 1.00 32.54 H new ATOM 84 N ILE A 6 10.655 -0.472 -10.174 1.00 1.43 N ATOM 85 CA ILE A 6 10.574 -1.926 -10.133 1.00 73.43 C ATOM 86 C ILE A 6 11.773 -2.564 -10.827 1.00 11.40 C ATOM 87 O ILE A 6 12.313 -2.013 -11.786 1.00 52.00 O ATOM 88 CB ILE A 6 9.281 -2.437 -10.796 1.00 54.55 C ATOM 89 CG1 ILE A 6 9.224 -3.965 -10.746 1.00 2.32 C ATOM 90 CG2 ILE A 6 9.193 -1.945 -12.234 1.00 30.24 C ATOM 91 CD1 ILE A 6 7.844 -4.527 -11.006 1.00 23.44 C ATOM 0 H ILE A 6 9.844 -0.016 -10.592 1.00 1.43 H new ATOM 0 HA ILE A 6 10.571 -2.212 -9.081 1.00 73.43 H new ATOM 0 HB ILE A 6 8.428 -2.043 -10.244 1.00 54.55 H new ATOM 0 HG12 ILE A 6 9.917 -4.371 -11.483 1.00 2.32 H new ATOM 0 HG13 ILE A 6 9.566 -4.301 -9.767 1.00 2.32 H new ATOM 0 HG21 ILE A 6 8.274 -2.314 -12.689 1.00 30.24 H new ATOM 0 HG22 ILE A 6 9.192 -0.855 -12.246 1.00 30.24 H new ATOM 0 HG23 ILE A 6 10.050 -2.313 -12.798 1.00 30.24 H new ATOM 0 HD11 ILE A 6 7.879 -5.615 -10.955 1.00 23.44 H new ATOM 0 HD12 ILE A 6 7.150 -4.150 -10.254 1.00 23.44 H new ATOM 0 HD13 ILE A 6 7.507 -4.221 -11.996 1.00 23.44 H new ATOM 103 N ALA A 7 12.183 -3.728 -10.336 1.00 64.31 N ATOM 104 CA ALA A 7 13.316 -4.443 -10.911 1.00 43.01 C ATOM 105 C ALA A 7 13.210 -5.941 -10.649 1.00 63.52 C ATOM 106 O ALA A 7 12.293 -6.400 -9.968 1.00 73.14 O ATOM 107 CB ALA A 7 14.622 -3.899 -10.352 1.00 5.41 C ATOM 0 H ALA A 7 11.748 -4.196 -9.541 1.00 64.31 H new ATOM 0 HA ALA A 7 13.302 -4.287 -11.990 1.00 43.01 H new ATOM 0 HB1 ALA A 7 15.459 -4.442 -10.790 1.00 5.41 H new ATOM 0 HB2 ALA A 7 14.709 -2.840 -10.596 1.00 5.41 H new ATOM 0 HB3 ALA A 7 14.635 -4.024 -9.269 1.00 5.41 H new ATOM 113 N LYS A 8 14.154 -6.701 -11.195 1.00 4.14 N ATOM 114 CA LYS A 8 14.168 -8.148 -11.020 1.00 63.41 C ATOM 115 C LYS A 8 15.464 -8.604 -10.357 1.00 64.03 C ATOM 116 O LYS A 8 16.551 -8.111 -10.660 1.00 62.20 O ATOM 117 CB LYS A 8 14.001 -8.847 -12.371 1.00 70.32 C ATOM 118 CG LYS A 8 14.188 -10.353 -12.304 1.00 73.14 C ATOM 119 CD LYS A 8 14.347 -10.957 -13.689 1.00 63.34 C ATOM 120 CE LYS A 8 15.682 -10.577 -14.313 1.00 34.31 C ATOM 121 NZ LYS A 8 16.394 -11.763 -14.865 1.00 14.01 N ATOM 0 H LYS A 8 14.920 -6.338 -11.763 1.00 4.14 H new ATOM 0 HA LYS A 8 13.334 -8.418 -10.372 1.00 63.41 H new ATOM 0 HB2 LYS A 8 13.007 -8.630 -12.763 1.00 70.32 H new ATOM 0 HB3 LYS A 8 14.720 -8.431 -13.077 1.00 70.32 H new ATOM 0 HG2 LYS A 8 15.066 -10.585 -11.702 1.00 73.14 H new ATOM 0 HG3 LYS A 8 13.331 -10.805 -11.805 1.00 73.14 H new ATOM 0 HD2 LYS A 8 14.270 -12.042 -13.625 1.00 63.34 H new ATOM 0 HD3 LYS A 8 13.534 -10.617 -14.331 1.00 63.34 H new ATOM 0 HE2 LYS A 8 15.517 -9.850 -15.108 1.00 34.31 H new ATOM 0 HE3 LYS A 8 16.309 -10.094 -13.564 1.00 34.31 H new ATOM 0 HZ1 LYS A 8 17.299 -11.462 -15.281 1.00 14.01 H new ATOM 0 HZ2 LYS A 8 16.574 -12.446 -14.102 1.00 14.01 H new ATOM 0 HZ3 LYS A 8 15.807 -12.210 -15.598 1.00 14.01 H new ATOM 135 N PRO A 9 15.350 -9.568 -9.432 1.00 73.41 N ATOM 136 CA PRO A 9 16.503 -10.113 -8.709 1.00 52.11 C ATOM 137 C PRO A 9 17.409 -10.947 -9.608 1.00 23.12 C ATOM 138 O PRO A 9 16.983 -11.433 -10.655 1.00 13.13 O ATOM 139 CB PRO A 9 15.863 -10.992 -7.631 1.00 40.34 C ATOM 140 CG PRO A 9 14.536 -11.372 -8.192 1.00 21.45 C ATOM 141 CD PRO A 9 14.086 -10.202 -9.021 1.00 54.10 C ATOM 0 HA PRO A 9 17.144 -9.326 -8.311 1.00 52.11 H new ATOM 0 HB2 PRO A 9 16.472 -11.872 -7.424 1.00 40.34 H new ATOM 0 HB3 PRO A 9 15.755 -10.451 -6.691 1.00 40.34 H new ATOM 0 HG2 PRO A 9 14.613 -12.274 -8.799 1.00 21.45 H new ATOM 0 HG3 PRO A 9 13.822 -11.584 -7.396 1.00 21.45 H new ATOM 0 HD2 PRO A 9 13.499 -10.522 -9.882 1.00 54.10 H new ATOM 0 HD3 PRO A 9 13.462 -9.518 -8.446 1.00 54.10 H new ATOM 149 N GLU A 10 18.661 -11.109 -9.191 1.00 43.01 N ATOM 150 CA GLU A 10 19.133 -10.519 -7.944 1.00 31.12 C ATOM 151 C GLU A 10 19.570 -9.073 -8.157 1.00 51.40 C ATOM 152 O GLU A 10 20.548 -8.805 -8.853 1.00 25.12 O ATOM 153 CB GLU A 10 20.295 -11.336 -7.375 1.00 11.23 C ATOM 154 CG GLU A 10 20.138 -11.672 -5.901 1.00 64.43 C ATOM 155 CD GLU A 10 20.000 -13.162 -5.655 1.00 34.13 C ATOM 156 OE1 GLU A 10 20.741 -13.940 -6.291 1.00 45.31 O ATOM 157 OE2 GLU A 10 19.150 -13.550 -4.826 1.00 72.44 O ATOM 0 H GLU A 10 19.366 -11.644 -9.698 1.00 43.01 H new ATOM 0 HA GLU A 10 18.308 -10.530 -7.232 1.00 31.12 H new ATOM 0 HB2 GLU A 10 20.389 -12.262 -7.942 1.00 11.23 H new ATOM 0 HB3 GLU A 10 21.222 -10.780 -7.516 1.00 11.23 H new ATOM 0 HG2 GLU A 10 21.001 -11.295 -5.352 1.00 64.43 H new ATOM 0 HG3 GLU A 10 19.261 -11.159 -5.507 1.00 64.43 H new ATOM 164 N ASN A 11 18.836 -8.144 -7.553 1.00 11.31 N ATOM 165 CA ASN A 11 19.146 -6.724 -7.677 1.00 62.11 C ATOM 166 C ASN A 11 19.552 -6.379 -9.107 1.00 15.01 C ATOM 167 O ASN A 11 20.717 -6.091 -9.381 1.00 52.42 O ATOM 168 CB ASN A 11 20.268 -6.339 -6.710 1.00 72.52 C ATOM 169 CG ASN A 11 20.160 -4.901 -6.243 1.00 3.20 C ATOM 170 OD1 ASN A 11 19.076 -4.317 -6.239 1.00 64.02 O ATOM 171 ND2 ASN A 11 21.288 -4.322 -5.846 1.00 53.12 N ATOM 0 H ASN A 11 18.022 -8.349 -6.973 1.00 11.31 H new ATOM 0 HA ASN A 11 18.249 -6.158 -7.426 1.00 62.11 H new ATOM 0 HB2 ASN A 11 20.242 -7.002 -5.845 1.00 72.52 H new ATOM 0 HB3 ASN A 11 21.231 -6.489 -7.197 1.00 72.52 H new ATOM 0 HD21 ASN A 11 21.278 -3.355 -5.521 1.00 53.12 H new ATOM 0 HD22 ASN A 11 22.164 -4.844 -5.866 1.00 53.12 H new ATOM 178 N CYS A 12 18.582 -6.410 -10.015 1.00 13.12 N ATOM 179 CA CYS A 12 18.836 -6.101 -11.417 1.00 13.54 C ATOM 180 C CYS A 12 17.736 -5.207 -11.984 1.00 64.33 C ATOM 181 O CYS A 12 16.549 -5.456 -11.774 1.00 41.41 O ATOM 182 CB CYS A 12 18.934 -7.389 -12.235 1.00 64.32 C ATOM 183 SG CYS A 12 20.628 -7.811 -12.757 1.00 41.21 S ATOM 0 H CYS A 12 17.612 -6.646 -9.805 1.00 13.12 H new ATOM 0 HA CYS A 12 19.784 -5.566 -11.480 1.00 13.54 H new ATOM 0 HB2 CYS A 12 18.531 -8.213 -11.646 1.00 64.32 H new ATOM 0 HB3 CYS A 12 18.306 -7.293 -13.120 1.00 64.32 H new ATOM 188 N VAL A 13 18.141 -4.166 -12.705 1.00 72.44 N ATOM 189 CA VAL A 13 17.191 -3.237 -13.305 1.00 3.50 C ATOM 190 C VAL A 13 16.468 -3.875 -14.486 1.00 2.43 C ATOM 191 O VAL A 13 16.916 -4.885 -15.029 1.00 11.20 O ATOM 192 CB VAL A 13 17.890 -1.949 -13.780 1.00 43.02 C ATOM 193 CG1 VAL A 13 18.578 -1.254 -12.615 1.00 45.34 C ATOM 194 CG2 VAL A 13 18.885 -2.261 -14.888 1.00 73.03 C ATOM 0 H VAL A 13 19.120 -3.945 -12.888 1.00 72.44 H new ATOM 0 HA VAL A 13 16.465 -2.984 -12.532 1.00 3.50 H new ATOM 0 HB VAL A 13 17.135 -1.273 -14.181 1.00 43.02 H new ATOM 0 HG11 VAL A 13 19.066 -0.346 -12.970 1.00 45.34 H new ATOM 0 HG12 VAL A 13 17.838 -0.996 -11.857 1.00 45.34 H new ATOM 0 HG13 VAL A 13 19.323 -1.921 -12.182 1.00 45.34 H new ATOM 0 HG21 VAL A 13 19.370 -1.340 -15.212 1.00 73.03 H new ATOM 0 HG22 VAL A 13 19.638 -2.956 -14.516 1.00 73.03 H new ATOM 0 HG23 VAL A 13 18.361 -2.711 -15.731 1.00 73.03 H new ATOM 204 N TYR A 14 15.348 -3.278 -14.879 1.00 21.44 N ATOM 205 CA TYR A 14 14.561 -3.789 -15.995 1.00 20.45 C ATOM 206 C TYR A 14 14.471 -2.758 -17.115 1.00 71.11 C ATOM 207 O TYR A 14 13.698 -1.804 -17.034 1.00 71.20 O ATOM 208 CB TYR A 14 13.157 -4.171 -15.523 1.00 53.31 C ATOM 209 CG TYR A 14 12.820 -5.629 -15.741 1.00 11.41 C ATOM 210 CD1 TYR A 14 13.076 -6.246 -16.959 1.00 21.41 C ATOM 211 CD2 TYR A 14 12.245 -6.388 -14.730 1.00 13.14 C ATOM 212 CE1 TYR A 14 12.769 -7.578 -17.163 1.00 4.10 C ATOM 213 CE2 TYR A 14 11.936 -7.720 -14.924 1.00 61.21 C ATOM 214 CZ TYR A 14 12.200 -8.311 -16.142 1.00 41.44 C ATOM 215 OH TYR A 14 11.893 -9.637 -16.341 1.00 32.23 O ATOM 0 H TYR A 14 14.965 -2.440 -14.441 1.00 21.44 H new ATOM 0 HA TYR A 14 15.061 -4.677 -16.383 1.00 20.45 H new ATOM 0 HB2 TYR A 14 13.064 -3.940 -14.462 1.00 53.31 H new ATOM 0 HB3 TYR A 14 12.426 -3.556 -16.048 1.00 53.31 H new ATOM 0 HD1 TYR A 14 13.522 -5.675 -17.760 1.00 21.41 H new ATOM 0 HD2 TYR A 14 12.036 -5.928 -13.775 1.00 13.14 H new ATOM 0 HE1 TYR A 14 12.973 -8.043 -18.116 1.00 4.10 H new ATOM 0 HE2 TYR A 14 11.490 -8.296 -14.126 1.00 61.21 H new ATOM 0 HH TYR A 14 11.500 -10.008 -15.524 1.00 32.23 H new ATOM 225 N GLU A 15 15.267 -2.959 -18.161 1.00 2.34 N ATOM 226 CA GLU A 15 15.278 -2.046 -19.298 1.00 72.30 C ATOM 227 C GLU A 15 14.000 -2.187 -20.120 1.00 61.35 C ATOM 228 O GLU A 15 13.614 -3.292 -20.504 1.00 53.30 O ATOM 229 CB GLU A 15 16.498 -2.312 -20.182 1.00 2.01 C ATOM 230 CG GLU A 15 16.517 -3.703 -20.792 1.00 33.40 C ATOM 231 CD GLU A 15 17.833 -4.024 -21.474 1.00 33.25 C ATOM 232 OE1 GLU A 15 18.018 -3.601 -22.634 1.00 75.31 O ATOM 233 OE2 GLU A 15 18.677 -4.698 -20.847 1.00 41.13 O ATOM 0 H GLU A 15 15.912 -3.745 -18.244 1.00 2.34 H new ATOM 0 HA GLU A 15 15.332 -1.027 -18.914 1.00 72.30 H new ATOM 0 HB2 GLU A 15 16.524 -1.573 -20.983 1.00 2.01 H new ATOM 0 HB3 GLU A 15 17.402 -2.172 -19.590 1.00 2.01 H new ATOM 0 HG2 GLU A 15 16.327 -4.440 -20.012 1.00 33.40 H new ATOM 0 HG3 GLU A 15 15.707 -3.789 -21.516 1.00 33.40 H new ATOM 240 N CYS A 16 13.348 -1.061 -20.387 1.00 41.43 N ATOM 241 CA CYS A 16 12.114 -1.056 -21.163 1.00 34.33 C ATOM 242 C CYS A 16 12.381 -0.650 -22.609 1.00 62.52 C ATOM 243 O CYS A 16 13.531 -0.567 -23.039 1.00 51.01 O ATOM 244 CB CYS A 16 11.095 -0.103 -20.534 1.00 62.12 C ATOM 245 SG CYS A 16 9.473 -0.862 -20.201 1.00 23.55 S ATOM 0 H CYS A 16 13.654 -0.139 -20.077 1.00 41.43 H new ATOM 0 HA CYS A 16 11.708 -2.067 -21.158 1.00 34.33 H new ATOM 0 HB2 CYS A 16 11.503 0.282 -19.599 1.00 62.12 H new ATOM 0 HB3 CYS A 16 10.955 0.751 -21.197 1.00 62.12 H new ATOM 250 N GLY A 17 11.310 -0.399 -23.356 1.00 11.25 N ATOM 251 CA GLY A 17 11.450 -0.005 -24.745 1.00 52.32 C ATOM 252 C GLY A 17 11.554 -1.195 -25.678 1.00 34.12 C ATOM 253 O GLY A 17 12.179 -1.111 -26.735 1.00 54.44 O ATOM 0 H GLY A 17 10.348 -0.462 -23.023 1.00 11.25 H new ATOM 0 HA2 GLY A 17 10.595 0.606 -25.034 1.00 52.32 H new ATOM 0 HA3 GLY A 17 12.338 0.618 -24.855 1.00 52.32 H new ATOM 257 N ILE A 18 10.942 -2.307 -25.285 1.00 75.24 N ATOM 258 CA ILE A 18 10.969 -3.520 -26.094 1.00 53.41 C ATOM 259 C ILE A 18 9.572 -4.112 -26.244 1.00 34.24 C ATOM 260 O ILE A 18 9.044 -4.216 -27.351 1.00 70.45 O ATOM 261 CB ILE A 18 11.902 -4.582 -25.484 1.00 62.15 C ATOM 262 CG1 ILE A 18 13.311 -4.012 -25.305 1.00 71.43 C ATOM 263 CG2 ILE A 18 11.935 -5.824 -26.362 1.00 62.50 C ATOM 264 CD1 ILE A 18 13.664 -3.715 -23.865 1.00 33.13 C ATOM 0 H ILE A 18 10.422 -2.393 -24.412 1.00 75.24 H new ATOM 0 HA ILE A 18 11.348 -3.236 -27.076 1.00 53.41 H new ATOM 0 HB ILE A 18 11.517 -4.863 -24.504 1.00 62.15 H new ATOM 0 HG12 ILE A 18 14.035 -4.720 -25.709 1.00 71.43 H new ATOM 0 HG13 ILE A 18 13.400 -3.096 -25.889 1.00 71.43 H new ATOM 0 HG21 ILE A 18 12.599 -6.566 -25.918 1.00 62.50 H new ATOM 0 HG22 ILE A 18 10.930 -6.239 -26.444 1.00 62.50 H new ATOM 0 HG23 ILE A 18 12.300 -5.559 -27.354 1.00 62.50 H new ATOM 0 HD11 ILE A 18 14.676 -3.314 -23.814 1.00 33.13 H new ATOM 0 HD12 ILE A 18 12.963 -2.984 -23.462 1.00 33.13 H new ATOM 0 HD13 ILE A 18 13.607 -4.633 -23.280 1.00 33.13 H new ATOM 276 N THR A 19 8.975 -4.498 -25.120 1.00 21.41 N ATOM 277 CA THR A 19 7.639 -5.080 -25.125 1.00 13.10 C ATOM 278 C THR A 19 6.613 -4.105 -24.558 1.00 30.44 C ATOM 279 O THR A 19 5.433 -4.161 -24.904 1.00 64.31 O ATOM 280 CB THR A 19 7.592 -6.388 -24.312 1.00 41.42 C ATOM 281 OG1 THR A 19 8.354 -6.243 -23.108 1.00 74.52 O ATOM 282 CG2 THR A 19 8.137 -7.551 -25.127 1.00 2.21 C ATOM 0 H THR A 19 9.396 -4.418 -24.195 1.00 21.41 H new ATOM 0 HA THR A 19 7.393 -5.299 -26.164 1.00 13.10 H new ATOM 0 HB THR A 19 6.552 -6.598 -24.060 1.00 41.42 H new ATOM 0 HG1 THR A 19 8.318 -7.078 -22.596 1.00 74.52 H new ATOM 0 HG21 THR A 19 8.094 -8.464 -24.533 1.00 2.21 H new ATOM 0 HG22 THR A 19 7.537 -7.676 -26.028 1.00 2.21 H new ATOM 0 HG23 THR A 19 9.171 -7.348 -25.405 1.00 2.21 H new ATOM 290 N GLN A 20 7.071 -3.213 -23.685 1.00 75.31 N ATOM 291 CA GLN A 20 6.191 -2.226 -23.070 1.00 71.22 C ATOM 292 C GLN A 20 5.053 -2.906 -22.316 1.00 71.11 C ATOM 293 O GLN A 20 3.898 -2.488 -22.407 1.00 23.42 O ATOM 294 CB GLN A 20 5.623 -1.285 -24.134 1.00 21.10 C ATOM 295 CG GLN A 20 5.285 0.099 -23.604 1.00 3.11 C ATOM 296 CD GLN A 20 5.183 1.136 -24.705 1.00 13.54 C ATOM 297 OE1 GLN A 20 4.127 1.310 -25.314 1.00 34.24 O ATOM 298 NE2 GLN A 20 6.282 1.834 -24.966 1.00 23.42 N ATOM 0 H GLN A 20 8.045 -3.154 -23.388 1.00 75.31 H new ATOM 0 HA GLN A 20 6.778 -1.646 -22.358 1.00 71.22 H new ATOM 0 HB2 GLN A 20 6.345 -1.188 -24.944 1.00 21.10 H new ATOM 0 HB3 GLN A 20 4.724 -1.731 -24.560 1.00 21.10 H new ATOM 0 HG2 GLN A 20 4.340 0.056 -23.062 1.00 3.11 H new ATOM 0 HG3 GLN A 20 6.048 0.407 -22.890 1.00 3.11 H new ATOM 0 HE21 GLN A 20 7.136 1.657 -24.437 1.00 23.42 H new ATOM 0 HE22 GLN A 20 6.272 2.547 -25.696 1.00 23.42 H new ATOM 307 N ASP A 21 5.386 -3.955 -21.573 1.00 22.42 N ATOM 308 CA ASP A 21 4.392 -4.693 -20.802 1.00 21.10 C ATOM 309 C ASP A 21 4.600 -4.484 -19.305 1.00 50.33 C ATOM 310 O ASP A 21 4.236 -5.334 -18.492 1.00 54.41 O ATOM 311 CB ASP A 21 4.461 -6.184 -21.135 1.00 71.23 C ATOM 312 CG ASP A 21 3.645 -6.541 -22.362 1.00 62.43 C ATOM 313 OD1 ASP A 21 3.366 -5.634 -23.174 1.00 75.30 O ATOM 314 OD2 ASP A 21 3.287 -7.728 -22.511 1.00 62.32 O ATOM 0 H ASP A 21 6.337 -4.314 -21.488 1.00 22.42 H new ATOM 0 HA ASP A 21 3.406 -4.314 -21.070 1.00 21.10 H new ATOM 0 HB2 ASP A 21 5.500 -6.469 -21.298 1.00 71.23 H new ATOM 0 HB3 ASP A 21 4.102 -6.761 -20.283 1.00 71.23 H new ATOM 319 N CYS A 22 5.189 -3.347 -18.948 1.00 71.32 N ATOM 320 CA CYS A 22 5.447 -3.026 -17.550 1.00 3.20 C ATOM 321 C CYS A 22 4.174 -3.150 -16.719 1.00 15.31 C ATOM 322 O CYS A 22 4.149 -3.841 -15.702 1.00 33.31 O ATOM 323 CB CYS A 22 6.014 -1.610 -17.427 1.00 0.02 C ATOM 324 SG CYS A 22 7.393 -1.461 -16.246 1.00 65.33 S ATOM 0 H CYS A 22 5.496 -2.633 -19.608 1.00 71.32 H new ATOM 0 HA CYS A 22 6.179 -3.738 -17.169 1.00 3.20 H new ATOM 0 HB2 CYS A 22 6.353 -1.279 -18.409 1.00 0.02 H new ATOM 0 HB3 CYS A 22 5.214 -0.935 -17.122 1.00 0.02 H new ATOM 329 N ASN A 23 3.117 -2.474 -17.160 1.00 65.25 N ATOM 330 CA ASN A 23 1.840 -2.508 -16.458 1.00 30.23 C ATOM 331 C ASN A 23 1.399 -3.946 -16.200 1.00 0.21 C ATOM 332 O ASN A 23 0.853 -4.259 -15.142 1.00 33.40 O ATOM 333 CB ASN A 23 0.770 -1.772 -17.266 1.00 52.21 C ATOM 334 CG ASN A 23 -0.219 -1.037 -16.382 1.00 31.01 C ATOM 335 OD1 ASN A 23 -0.563 0.116 -16.641 1.00 43.41 O ATOM 336 ND2 ASN A 23 -0.682 -1.704 -15.331 1.00 4.23 N ATOM 0 H ASN A 23 3.121 -1.896 -18.001 1.00 65.25 H new ATOM 0 HA ASN A 23 1.968 -2.008 -15.498 1.00 30.23 H new ATOM 0 HB2 ASN A 23 1.251 -1.061 -17.938 1.00 52.21 H new ATOM 0 HB3 ASN A 23 0.234 -2.487 -17.890 1.00 52.21 H new ATOM 0 HD21 ASN A 23 -1.350 -1.262 -14.700 1.00 4.23 H new ATOM 0 HD22 ASN A 23 -0.369 -2.659 -15.155 1.00 4.23 H new ATOM 343 N LYS A 24 1.641 -4.817 -17.174 1.00 15.41 N ATOM 344 CA LYS A 24 1.271 -6.222 -17.054 1.00 10.14 C ATOM 345 C LYS A 24 2.086 -6.907 -15.962 1.00 24.42 C ATOM 346 O LYS A 24 1.534 -7.578 -15.089 1.00 20.12 O ATOM 347 CB LYS A 24 1.479 -6.941 -18.388 1.00 61.41 C ATOM 348 CG LYS A 24 0.520 -8.098 -18.612 1.00 25.15 C ATOM 349 CD LYS A 24 1.230 -9.438 -18.510 1.00 11.01 C ATOM 350 CE LYS A 24 0.618 -10.465 -19.450 1.00 64.23 C ATOM 351 NZ LYS A 24 1.604 -11.507 -19.850 1.00 63.05 N ATOM 0 H LYS A 24 2.092 -4.574 -18.056 1.00 15.41 H new ATOM 0 HA LYS A 24 0.217 -6.273 -16.782 1.00 10.14 H new ATOM 0 HB2 LYS A 24 1.364 -6.223 -19.200 1.00 61.41 H new ATOM 0 HB3 LYS A 24 2.502 -7.314 -18.434 1.00 61.41 H new ATOM 0 HG2 LYS A 24 -0.283 -8.054 -17.876 1.00 25.15 H new ATOM 0 HG3 LYS A 24 0.058 -8.004 -19.595 1.00 25.15 H new ATOM 0 HD2 LYS A 24 2.286 -9.310 -18.747 1.00 11.01 H new ATOM 0 HD3 LYS A 24 1.175 -9.803 -17.484 1.00 11.01 H new ATOM 0 HE2 LYS A 24 -0.235 -10.939 -18.964 1.00 64.23 H new ATOM 0 HE3 LYS A 24 0.239 -9.963 -20.340 1.00 64.23 H new ATOM 0 HZ1 LYS A 24 1.149 -12.188 -20.491 1.00 63.05 H new ATOM 0 HZ2 LYS A 24 2.406 -11.058 -20.336 1.00 63.05 H new ATOM 0 HZ3 LYS A 24 1.947 -12.004 -19.003 1.00 63.05 H new ATOM 365 N LEU A 25 3.402 -6.734 -16.016 1.00 3.23 N ATOM 366 CA LEU A 25 4.294 -7.335 -15.030 1.00 2.41 C ATOM 367 C LEU A 25 3.946 -6.863 -13.622 1.00 31.44 C ATOM 368 O LEU A 25 3.816 -7.670 -12.700 1.00 3.41 O ATOM 369 CB LEU A 25 5.749 -6.987 -15.351 1.00 20.51 C ATOM 370 CG LEU A 25 6.811 -7.742 -14.551 1.00 4.13 C ATOM 371 CD1 LEU A 25 7.069 -9.110 -15.163 1.00 21.03 C ATOM 372 CD2 LEU A 25 8.100 -6.935 -14.481 1.00 72.25 C ATOM 0 H LEU A 25 3.875 -6.183 -16.732 1.00 3.23 H new ATOM 0 HA LEU A 25 4.167 -8.417 -15.073 1.00 2.41 H new ATOM 0 HB2 LEU A 25 5.921 -7.173 -16.411 1.00 20.51 H new ATOM 0 HB3 LEU A 25 5.891 -5.919 -15.188 1.00 20.51 H new ATOM 0 HG LEU A 25 6.440 -7.885 -13.536 1.00 4.13 H new ATOM 0 HD11 LEU A 25 7.828 -9.632 -14.580 1.00 21.03 H new ATOM 0 HD12 LEU A 25 6.146 -9.690 -15.160 1.00 21.03 H new ATOM 0 HD13 LEU A 25 7.419 -8.990 -16.188 1.00 21.03 H new ATOM 0 HD21 LEU A 25 8.845 -7.488 -13.908 1.00 72.25 H new ATOM 0 HD22 LEU A 25 8.475 -6.760 -15.489 1.00 72.25 H new ATOM 0 HD23 LEU A 25 7.905 -5.979 -13.995 1.00 72.25 H new ATOM 384 N CYS A 26 3.793 -5.553 -13.463 1.00 3.04 N ATOM 385 CA CYS A 26 3.458 -4.973 -12.168 1.00 30.33 C ATOM 386 C CYS A 26 2.155 -5.559 -11.631 1.00 0.43 C ATOM 387 O CYS A 26 2.112 -6.095 -10.523 1.00 14.22 O ATOM 388 CB CYS A 26 3.338 -3.452 -12.282 1.00 73.41 C ATOM 389 SG CYS A 26 4.273 -2.535 -11.016 1.00 33.21 S ATOM 0 H CYS A 26 3.896 -4.872 -14.216 1.00 3.04 H new ATOM 0 HA CYS A 26 4.260 -5.215 -11.471 1.00 30.33 H new ATOM 0 HB2 CYS A 26 3.685 -3.144 -13.268 1.00 73.41 H new ATOM 0 HB3 CYS A 26 2.286 -3.175 -12.213 1.00 73.41 H new ATOM 394 N THR A 27 1.094 -5.452 -12.424 1.00 75.30 N ATOM 395 CA THR A 27 -0.211 -5.969 -12.029 1.00 64.53 C ATOM 396 C THR A 27 -0.111 -7.421 -11.574 1.00 15.35 C ATOM 397 O THR A 27 -0.550 -7.767 -10.478 1.00 35.44 O ATOM 398 CB THR A 27 -1.226 -5.874 -13.184 1.00 23.11 C ATOM 399 OG1 THR A 27 -0.611 -6.280 -14.412 1.00 4.32 O ATOM 400 CG2 THR A 27 -1.757 -4.455 -13.321 1.00 70.34 C ATOM 0 H THR A 27 1.112 -5.012 -13.344 1.00 75.30 H new ATOM 0 HA THR A 27 -0.558 -5.353 -11.199 1.00 64.53 H new ATOM 0 HB THR A 27 -2.061 -6.538 -12.961 1.00 23.11 H new ATOM 0 HG1 THR A 27 -0.339 -5.487 -14.920 1.00 4.32 H new ATOM 0 HG21 THR A 27 -2.472 -4.412 -14.143 1.00 70.34 H new ATOM 0 HG22 THR A 27 -2.250 -4.160 -12.395 1.00 70.34 H new ATOM 0 HG23 THR A 27 -0.930 -3.775 -13.524 1.00 70.34 H new ATOM 408 N GLU A 28 0.469 -8.264 -12.422 1.00 34.34 N ATOM 409 CA GLU A 28 0.625 -9.679 -12.104 1.00 55.01 C ATOM 410 C GLU A 28 1.358 -9.861 -10.779 1.00 23.44 C ATOM 411 O GLU A 28 1.013 -10.732 -9.981 1.00 10.33 O ATOM 412 CB GLU A 28 1.384 -10.395 -13.223 1.00 2.21 C ATOM 413 CG GLU A 28 0.538 -11.399 -13.987 1.00 23.51 C ATOM 414 CD GLU A 28 0.349 -12.699 -13.229 1.00 24.20 C ATOM 415 OE1 GLU A 28 0.290 -12.655 -11.982 1.00 41.12 O ATOM 416 OE2 GLU A 28 0.261 -13.760 -13.882 1.00 3.12 O ATOM 0 H GLU A 28 0.838 -7.993 -13.333 1.00 34.34 H new ATOM 0 HA GLU A 28 -0.369 -10.116 -12.012 1.00 55.01 H new ATOM 0 HB2 GLU A 28 1.770 -9.652 -13.921 1.00 2.21 H new ATOM 0 HB3 GLU A 28 2.245 -10.909 -12.795 1.00 2.21 H new ATOM 0 HG2 GLU A 28 -0.437 -10.961 -14.198 1.00 23.51 H new ATOM 0 HG3 GLU A 28 1.008 -11.608 -14.948 1.00 23.51 H new ATOM 423 N ASN A 29 2.373 -9.034 -10.552 1.00 43.21 N ATOM 424 CA ASN A 29 3.157 -9.104 -9.324 1.00 44.14 C ATOM 425 C ASN A 29 2.298 -8.764 -8.110 1.00 62.52 C ATOM 426 O ASN A 29 2.587 -9.191 -6.993 1.00 63.21 O ATOM 427 CB ASN A 29 4.351 -8.150 -9.402 1.00 12.45 C ATOM 428 CG ASN A 29 5.640 -8.864 -9.760 1.00 52.41 C ATOM 429 OD1 ASN A 29 6.401 -9.271 -8.883 1.00 22.51 O ATOM 430 ND2 ASN A 29 5.890 -9.017 -11.055 1.00 61.52 N ATOM 0 H ASN A 29 2.672 -8.307 -11.202 1.00 43.21 H new ATOM 0 HA ASN A 29 3.523 -10.125 -9.213 1.00 44.14 H new ATOM 0 HB2 ASN A 29 4.148 -7.378 -10.145 1.00 12.45 H new ATOM 0 HB3 ASN A 29 4.473 -7.646 -8.443 1.00 12.45 H new ATOM 0 HD21 ASN A 29 6.742 -9.489 -11.358 1.00 61.52 H new ATOM 0 HD22 ASN A 29 5.230 -8.663 -11.747 1.00 61.52 H new ATOM 437 N GLY A 30 1.239 -7.993 -8.338 1.00 61.41 N ATOM 438 CA GLY A 30 0.354 -7.610 -7.254 1.00 54.02 C ATOM 439 C GLY A 30 0.403 -6.123 -6.964 1.00 31.13 C ATOM 440 O GLY A 30 -0.019 -5.678 -5.897 1.00 21.02 O ATOM 0 H GLY A 30 0.978 -7.627 -9.254 1.00 61.41 H new ATOM 0 HA2 GLY A 30 -0.668 -7.895 -7.505 1.00 54.02 H new ATOM 0 HA3 GLY A 30 0.626 -8.162 -6.354 1.00 54.02 H new ATOM 444 N ALA A 31 0.921 -5.353 -7.915 1.00 0.23 N ATOM 445 CA ALA A 31 1.024 -3.908 -7.756 1.00 13.43 C ATOM 446 C ALA A 31 -0.191 -3.202 -8.349 1.00 70.33 C ATOM 447 O ALA A 31 -1.152 -3.848 -8.766 1.00 41.13 O ATOM 448 CB ALA A 31 2.302 -3.395 -8.402 1.00 42.01 C ATOM 0 H ALA A 31 1.276 -5.706 -8.804 1.00 0.23 H new ATOM 0 HA ALA A 31 1.055 -3.687 -6.689 1.00 13.43 H new ATOM 0 HB1 ALA A 31 2.365 -2.314 -8.275 1.00 42.01 H new ATOM 0 HB2 ALA A 31 3.163 -3.867 -7.929 1.00 42.01 H new ATOM 0 HB3 ALA A 31 2.294 -3.636 -9.465 1.00 42.01 H new ATOM 454 N GLU A 32 -0.141 -1.874 -8.383 1.00 63.31 N ATOM 455 CA GLU A 32 -1.239 -1.082 -8.925 1.00 21.44 C ATOM 456 C GLU A 32 -1.067 -0.869 -10.426 1.00 0.32 C ATOM 457 O GLU A 32 -1.878 -1.333 -11.227 1.00 30.44 O ATOM 458 CB GLU A 32 -1.322 0.269 -8.212 1.00 52.22 C ATOM 459 CG GLU A 32 -2.629 1.005 -8.454 1.00 35.02 C ATOM 460 CD GLU A 32 -2.504 2.085 -9.511 1.00 74.31 C ATOM 461 OE1 GLU A 32 -1.477 2.794 -9.517 1.00 10.44 O ATOM 462 OE2 GLU A 32 -3.435 2.219 -10.333 1.00 43.55 O ATOM 0 H GLU A 32 0.648 -1.324 -8.042 1.00 63.31 H new ATOM 0 HA GLU A 32 -2.166 -1.630 -8.758 1.00 21.44 H new ATOM 0 HB2 GLU A 32 -1.195 0.113 -7.141 1.00 52.22 H new ATOM 0 HB3 GLU A 32 -0.495 0.897 -8.543 1.00 52.22 H new ATOM 0 HG2 GLU A 32 -3.393 0.290 -8.759 1.00 35.02 H new ATOM 0 HG3 GLU A 32 -2.967 1.454 -7.520 1.00 35.02 H new ATOM 469 N SER A 33 -0.005 -0.161 -10.799 1.00 72.51 N ATOM 470 CA SER A 33 0.272 0.118 -12.203 1.00 53.32 C ATOM 471 C SER A 33 1.771 0.263 -12.443 1.00 4.43 C ATOM 472 O SER A 33 2.582 -0.007 -11.558 1.00 31.24 O ATOM 473 CB SER A 33 -0.452 1.392 -12.644 1.00 12.14 C ATOM 474 OG SER A 33 -1.235 1.159 -13.801 1.00 55.24 O ATOM 0 H SER A 33 0.677 0.229 -10.149 1.00 72.51 H new ATOM 0 HA SER A 33 -0.093 -0.722 -12.794 1.00 53.32 H new ATOM 0 HB2 SER A 33 -1.090 1.750 -11.836 1.00 12.14 H new ATOM 0 HB3 SER A 33 0.277 2.177 -12.846 1.00 12.14 H new ATOM 0 HG SER A 33 -0.659 0.838 -14.526 1.00 55.24 H new ATOM 480 N GLY A 34 2.133 0.693 -13.648 1.00 2.11 N ATOM 481 CA GLY A 34 3.534 0.867 -13.984 1.00 22.02 C ATOM 482 C GLY A 34 3.742 1.210 -15.446 1.00 32.43 C ATOM 483 O GLY A 34 2.932 0.842 -16.298 1.00 25.04 O ATOM 0 H GLY A 34 1.481 0.924 -14.397 1.00 2.11 H new ATOM 0 HA2 GLY A 34 3.957 1.658 -13.365 1.00 22.02 H new ATOM 0 HA3 GLY A 34 4.077 -0.048 -13.748 1.00 22.02 H new ATOM 487 N TYR A 35 4.828 1.917 -15.737 1.00 73.24 N ATOM 488 CA TYR A 35 5.137 2.313 -17.106 1.00 70.11 C ATOM 489 C TYR A 35 6.643 2.299 -17.350 1.00 71.43 C ATOM 490 O TYR A 35 7.430 2.061 -16.434 1.00 4.11 O ATOM 491 CB TYR A 35 4.575 3.706 -17.395 1.00 44.04 C ATOM 492 CG TYR A 35 4.803 4.695 -16.275 1.00 1.41 C ATOM 493 CD1 TYR A 35 6.083 5.133 -15.958 1.00 43.10 C ATOM 494 CD2 TYR A 35 3.739 5.192 -15.533 1.00 32.44 C ATOM 495 CE1 TYR A 35 6.296 6.036 -14.935 1.00 4.43 C ATOM 496 CE2 TYR A 35 3.942 6.096 -14.509 1.00 3.34 C ATOM 497 CZ TYR A 35 5.223 6.515 -14.213 1.00 52.44 C ATOM 498 OH TYR A 35 5.430 7.415 -13.193 1.00 51.31 O ATOM 0 H TYR A 35 5.509 2.228 -15.044 1.00 73.24 H new ATOM 0 HA TYR A 35 4.671 1.594 -17.780 1.00 70.11 H new ATOM 0 HB2 TYR A 35 5.032 4.091 -18.307 1.00 44.04 H new ATOM 0 HB3 TYR A 35 3.505 3.625 -17.584 1.00 44.04 H new ATOM 0 HD1 TYR A 35 6.926 4.761 -16.521 1.00 43.10 H new ATOM 0 HD2 TYR A 35 2.735 4.866 -15.761 1.00 32.44 H new ATOM 0 HE1 TYR A 35 7.298 6.365 -14.702 1.00 4.43 H new ATOM 0 HE2 TYR A 35 3.103 6.473 -13.943 1.00 3.34 H new ATOM 0 HH TYR A 35 5.889 6.969 -12.451 1.00 51.31 H new ATOM 508 N CYS A 36 7.036 2.555 -18.593 1.00 45.32 N ATOM 509 CA CYS A 36 8.447 2.573 -18.961 1.00 61.20 C ATOM 510 C CYS A 36 9.040 3.967 -18.777 1.00 30.22 C ATOM 511 O CYS A 36 8.691 4.900 -19.499 1.00 43.12 O ATOM 512 CB CYS A 36 8.623 2.119 -20.412 1.00 1.44 C ATOM 513 SG CYS A 36 8.045 0.423 -20.736 1.00 33.44 S ATOM 0 H CYS A 36 6.397 2.753 -19.363 1.00 45.32 H new ATOM 0 HA CYS A 36 8.977 1.883 -18.304 1.00 61.20 H new ATOM 0 HB2 CYS A 36 8.084 2.806 -21.064 1.00 1.44 H new ATOM 0 HB3 CYS A 36 9.678 2.189 -20.678 1.00 1.44 H new ATOM 518 N GLN A 37 9.937 4.098 -17.805 1.00 44.43 N ATOM 519 CA GLN A 37 10.578 5.378 -17.526 1.00 41.11 C ATOM 520 C GLN A 37 11.811 5.572 -18.402 1.00 64.02 C ATOM 521 O GLN A 37 12.928 5.243 -18.001 1.00 14.34 O ATOM 522 CB GLN A 37 10.968 5.466 -16.050 1.00 31.14 C ATOM 523 CG GLN A 37 10.124 6.449 -15.255 1.00 10.30 C ATOM 524 CD GLN A 37 10.569 7.886 -15.444 1.00 2.11 C ATOM 525 OE1 GLN A 37 11.598 8.304 -14.912 1.00 41.32 O ATOM 526 NE2 GLN A 37 9.795 8.651 -16.204 1.00 53.04 N ATOM 0 H GLN A 37 10.236 3.335 -17.198 1.00 44.43 H new ATOM 0 HA GLN A 37 9.865 6.170 -17.754 1.00 41.11 H new ATOM 0 HB2 GLN A 37 10.880 4.477 -15.600 1.00 31.14 H new ATOM 0 HB3 GLN A 37 12.016 5.757 -15.976 1.00 31.14 H new ATOM 0 HG2 GLN A 37 9.081 6.353 -15.556 1.00 10.30 H new ATOM 0 HG3 GLN A 37 10.175 6.193 -14.197 1.00 10.30 H new ATOM 0 HE21 GLN A 37 8.951 8.263 -16.625 1.00 53.04 H new ATOM 0 HE22 GLN A 37 10.044 9.627 -16.367 1.00 53.04 H new ATOM 535 N TRP A 38 11.602 6.107 -19.600 1.00 32.34 N ATOM 536 CA TRP A 38 12.697 6.344 -20.533 1.00 24.11 C ATOM 537 C TRP A 38 13.373 7.681 -20.250 1.00 65.12 C ATOM 538 O TRP A 38 13.045 8.695 -20.864 1.00 43.22 O ATOM 539 CB TRP A 38 12.183 6.313 -21.973 1.00 64.41 C ATOM 540 CG TRP A 38 12.513 5.041 -22.694 1.00 22.40 C ATOM 541 CD1 TRP A 38 12.700 3.808 -22.137 1.00 72.30 C ATOM 542 CD2 TRP A 38 12.697 4.878 -24.105 1.00 30.15 C ATOM 543 NE1 TRP A 38 12.989 2.888 -23.116 1.00 53.25 N ATOM 544 CE2 TRP A 38 12.992 3.519 -24.332 1.00 40.42 C ATOM 545 CE3 TRP A 38 12.639 5.747 -25.197 1.00 60.34 C ATOM 546 CZ2 TRP A 38 13.229 3.013 -25.607 1.00 40.03 C ATOM 547 CZ3 TRP A 38 12.875 5.243 -26.462 1.00 72.33 C ATOM 548 CH2 TRP A 38 13.166 3.886 -26.659 1.00 40.21 C ATOM 0 H TRP A 38 10.684 6.385 -19.948 1.00 32.34 H new ATOM 0 HA TRP A 38 13.433 5.551 -20.400 1.00 24.11 H new ATOM 0 HB2 TRP A 38 11.102 6.450 -21.968 1.00 64.41 H new ATOM 0 HB3 TRP A 38 12.608 7.154 -22.521 1.00 64.41 H new ATOM 0 HD1 TRP A 38 12.631 3.588 -21.082 1.00 72.30 H new ATOM 0 HE1 TRP A 38 13.172 1.896 -22.962 1.00 53.25 H new ATOM 0 HE3 TRP A 38 12.414 6.794 -25.055 1.00 60.34 H new ATOM 0 HZ2 TRP A 38 13.455 1.968 -25.761 1.00 40.03 H new ATOM 0 HZ3 TRP A 38 12.835 5.906 -27.313 1.00 72.33 H new ATOM 0 HH2 TRP A 38 13.344 3.522 -27.660 1.00 40.21 H new ATOM 559 N GLY A 39 14.320 7.675 -19.317 1.00 2.15 N ATOM 560 CA GLY A 39 15.027 8.894 -18.970 1.00 23.14 C ATOM 561 C GLY A 39 14.969 9.196 -17.485 1.00 70.42 C ATOM 562 O GLY A 39 14.221 10.071 -17.051 1.00 62.14 O ATOM 0 H GLY A 39 14.610 6.848 -18.795 1.00 2.15 H new ATOM 0 HA2 GLY A 39 16.069 8.807 -19.279 1.00 23.14 H new ATOM 0 HA3 GLY A 39 14.599 9.729 -19.524 1.00 23.14 H new ATOM 566 N GLY A 40 15.760 8.467 -16.703 1.00 51.11 N ATOM 567 CA GLY A 40 15.778 8.675 -15.267 1.00 5.10 C ATOM 568 C GLY A 40 17.180 8.622 -14.692 1.00 12.24 C ATOM 569 O GLY A 40 18.165 8.704 -15.426 1.00 74.31 O ATOM 0 H GLY A 40 16.388 7.737 -17.038 1.00 51.11 H new ATOM 0 HA2 GLY A 40 15.330 9.642 -15.037 1.00 5.10 H new ATOM 0 HA3 GLY A 40 15.162 7.916 -14.785 1.00 5.10 H new ATOM 573 N LYS A 41 17.271 8.487 -13.373 1.00 5.11 N ATOM 574 CA LYS A 41 18.562 8.424 -12.698 1.00 22.13 C ATOM 575 C LYS A 41 19.457 7.364 -13.333 1.00 2.43 C ATOM 576 O LYS A 41 20.601 7.640 -13.695 1.00 50.44 O ATOM 577 CB LYS A 41 18.369 8.119 -11.211 1.00 34.53 C ATOM 578 CG LYS A 41 19.226 8.977 -10.297 1.00 13.22 C ATOM 579 CD LYS A 41 20.309 8.158 -9.615 1.00 75.43 C ATOM 580 CE LYS A 41 20.905 8.899 -8.429 1.00 31.14 C ATOM 581 NZ LYS A 41 22.128 8.225 -7.912 1.00 4.32 N ATOM 0 H LYS A 41 16.466 8.419 -12.750 1.00 5.11 H new ATOM 0 HA LYS A 41 19.047 9.395 -12.804 1.00 22.13 H new ATOM 0 HB2 LYS A 41 17.320 8.263 -10.952 1.00 34.53 H new ATOM 0 HB3 LYS A 41 18.600 7.069 -11.031 1.00 34.53 H new ATOM 0 HG2 LYS A 41 19.685 9.779 -10.875 1.00 13.22 H new ATOM 0 HG3 LYS A 41 18.596 9.448 -9.543 1.00 13.22 H new ATOM 0 HD2 LYS A 41 19.892 7.209 -9.280 1.00 75.43 H new ATOM 0 HD3 LYS A 41 21.096 7.925 -10.332 1.00 75.43 H new ATOM 0 HE2 LYS A 41 21.150 9.919 -8.724 1.00 31.14 H new ATOM 0 HE3 LYS A 41 20.163 8.967 -7.633 1.00 31.14 H new ATOM 0 HZ1 LYS A 41 22.504 8.761 -7.104 1.00 4.32 H new ATOM 0 HZ2 LYS A 41 21.890 7.260 -7.607 1.00 4.32 H new ATOM 0 HZ3 LYS A 41 22.845 8.183 -8.664 1.00 4.32 H new ATOM 595 N TYR A 42 18.929 6.153 -13.465 1.00 61.23 N ATOM 596 CA TYR A 42 19.681 5.052 -14.056 1.00 32.11 C ATOM 597 C TYR A 42 19.356 4.905 -15.539 1.00 63.43 C ATOM 598 O TYR A 42 19.482 3.822 -16.110 1.00 23.24 O ATOM 599 CB TYR A 42 19.373 3.745 -13.323 1.00 12.22 C ATOM 600 CG TYR A 42 20.101 3.604 -12.005 1.00 53.11 C ATOM 601 CD1 TYR A 42 21.479 3.761 -11.930 1.00 43.43 C ATOM 602 CD2 TYR A 42 19.410 3.313 -10.835 1.00 64.52 C ATOM 603 CE1 TYR A 42 22.149 3.633 -10.729 1.00 32.32 C ATOM 604 CE2 TYR A 42 20.071 3.184 -9.629 1.00 63.40 C ATOM 605 CZ TYR A 42 21.440 3.344 -9.581 1.00 4.30 C ATOM 606 OH TYR A 42 22.103 3.215 -8.382 1.00 13.23 O ATOM 0 H TYR A 42 17.983 5.908 -13.171 1.00 61.23 H new ATOM 0 HA TYR A 42 20.743 5.276 -13.956 1.00 32.11 H new ATOM 0 HB2 TYR A 42 18.300 3.683 -13.144 1.00 12.22 H new ATOM 0 HB3 TYR A 42 19.638 2.906 -13.966 1.00 12.22 H new ATOM 0 HD1 TYR A 42 22.037 3.987 -12.827 1.00 43.43 H new ATOM 0 HD2 TYR A 42 18.338 3.186 -10.869 1.00 64.52 H new ATOM 0 HE1 TYR A 42 23.221 3.758 -10.689 1.00 32.32 H new ATOM 0 HE2 TYR A 42 19.519 2.959 -8.729 1.00 63.40 H new ATOM 0 HH TYR A 42 21.459 3.012 -7.672 1.00 13.23 H new ATOM 616 N GLY A 43 18.938 6.004 -16.159 1.00 14.00 N ATOM 617 CA GLY A 43 18.602 5.978 -17.571 1.00 34.35 C ATOM 618 C GLY A 43 17.204 5.448 -17.824 1.00 42.01 C ATOM 619 O GLY A 43 16.263 5.795 -17.111 1.00 62.45 O ATOM 0 H GLY A 43 18.826 6.912 -15.709 1.00 14.00 H new ATOM 0 HA2 GLY A 43 18.685 6.985 -17.980 1.00 34.35 H new ATOM 0 HA3 GLY A 43 19.324 5.358 -18.102 1.00 34.35 H new ATOM 623 N ASN A 44 17.068 4.606 -18.844 1.00 10.53 N ATOM 624 CA ASN A 44 15.774 4.030 -19.191 1.00 63.31 C ATOM 625 C ASN A 44 15.482 2.797 -18.341 1.00 64.21 C ATOM 626 O ASN A 44 16.067 1.734 -18.549 1.00 43.33 O ATOM 627 CB ASN A 44 15.739 3.660 -20.675 1.00 65.43 C ATOM 628 CG ASN A 44 16.948 2.847 -21.097 1.00 22.41 C ATOM 629 OD1 ASN A 44 16.917 1.616 -21.084 1.00 64.15 O ATOM 630 ND2 ASN A 44 18.021 3.533 -21.473 1.00 10.13 N ATOM 0 H ASN A 44 17.837 4.308 -19.444 1.00 10.53 H new ATOM 0 HA ASN A 44 15.006 4.777 -18.991 1.00 63.31 H new ATOM 0 HB2 ASN A 44 14.832 3.093 -20.884 1.00 65.43 H new ATOM 0 HB3 ASN A 44 15.690 4.570 -21.273 1.00 65.43 H new ATOM 0 HD21 ASN A 44 18.864 3.040 -21.767 1.00 10.13 H new ATOM 0 HD22 ASN A 44 18.002 4.553 -21.468 1.00 10.13 H new ATOM 637 N ALA A 45 14.573 2.947 -17.383 1.00 65.12 N ATOM 638 CA ALA A 45 14.202 1.846 -16.504 1.00 32.34 C ATOM 639 C ALA A 45 12.686 1.727 -16.382 1.00 43.52 C ATOM 640 O ALA A 45 11.962 2.709 -16.546 1.00 54.35 O ATOM 641 CB ALA A 45 14.830 2.032 -15.130 1.00 63.15 C ATOM 0 H ALA A 45 14.080 3.820 -17.196 1.00 65.12 H new ATOM 0 HA ALA A 45 14.579 0.922 -16.942 1.00 32.34 H new ATOM 0 HB1 ALA A 45 14.544 1.202 -14.484 1.00 63.15 H new ATOM 0 HB2 ALA A 45 15.915 2.059 -15.227 1.00 63.15 H new ATOM 0 HB3 ALA A 45 14.481 2.968 -14.694 1.00 63.15 H new ATOM 647 N CYS A 46 12.213 0.520 -16.094 1.00 71.34 N ATOM 648 CA CYS A 46 10.783 0.272 -15.952 1.00 43.11 C ATOM 649 C CYS A 46 10.280 0.756 -14.595 1.00 52.13 C ATOM 650 O CYS A 46 10.632 0.198 -13.556 1.00 60.11 O ATOM 651 CB CYS A 46 10.484 -1.219 -16.117 1.00 72.12 C ATOM 652 SG CYS A 46 9.112 -1.580 -17.260 1.00 51.22 S ATOM 0 H CYS A 46 12.799 -0.303 -15.954 1.00 71.34 H new ATOM 0 HA CYS A 46 10.263 0.828 -16.732 1.00 43.11 H new ATOM 0 HB2 CYS A 46 11.383 -1.721 -16.475 1.00 72.12 H new ATOM 0 HB3 CYS A 46 10.250 -1.642 -15.140 1.00 72.12 H new ATOM 657 N TRP A 47 9.455 1.796 -14.614 1.00 13.52 N ATOM 658 CA TRP A 47 8.902 2.356 -13.385 1.00 64.41 C ATOM 659 C TRP A 47 7.567 1.705 -13.043 1.00 74.22 C ATOM 660 O TRP A 47 6.840 1.254 -13.929 1.00 33.10 O ATOM 661 CB TRP A 47 8.726 3.869 -13.523 1.00 61.32 C ATOM 662 CG TRP A 47 8.138 4.512 -12.304 1.00 22.02 C ATOM 663 CD1 TRP A 47 6.816 4.748 -12.058 1.00 74.34 C ATOM 664 CD2 TRP A 47 8.853 5.003 -11.165 1.00 45.40 C ATOM 665 NE1 TRP A 47 6.666 5.356 -10.836 1.00 14.15 N ATOM 666 CE2 TRP A 47 7.901 5.523 -10.267 1.00 54.21 C ATOM 667 CE3 TRP A 47 10.206 5.053 -10.815 1.00 55.04 C ATOM 668 CZ2 TRP A 47 8.259 6.086 -9.045 1.00 21.51 C ATOM 669 CZ3 TRP A 47 10.560 5.612 -9.602 1.00 73.31 C ATOM 670 CH2 TRP A 47 9.590 6.121 -8.728 1.00 51.24 C ATOM 0 H TRP A 47 9.154 2.269 -15.466 1.00 13.52 H new ATOM 0 HA TRP A 47 9.602 2.152 -12.575 1.00 64.41 H new ATOM 0 HB2 TRP A 47 9.695 4.323 -13.733 1.00 61.32 H new ATOM 0 HB3 TRP A 47 8.085 4.076 -14.380 1.00 61.32 H new ATOM 0 HD1 TRP A 47 6.007 4.494 -12.727 1.00 74.34 H new ATOM 0 HE1 TRP A 47 5.779 5.638 -10.419 1.00 14.15 H new ATOM 0 HE3 TRP A 47 10.961 4.662 -11.481 1.00 55.04 H new ATOM 0 HZ2 TRP A 47 7.513 6.481 -8.371 1.00 21.51 H new ATOM 0 HZ3 TRP A 47 11.602 5.657 -9.323 1.00 73.31 H new ATOM 0 HH2 TRP A 47 9.899 6.549 -7.786 1.00 51.24 H new ATOM 681 N CYS A 48 7.248 1.659 -11.754 1.00 3.11 N ATOM 682 CA CYS A 48 6.000 1.063 -11.295 1.00 14.24 C ATOM 683 C CYS A 48 5.322 1.953 -10.257 1.00 33.14 C ATOM 684 O CYS A 48 5.989 2.635 -9.478 1.00 70.30 O ATOM 685 CB CYS A 48 6.259 -0.323 -10.702 1.00 64.33 C ATOM 686 SG CYS A 48 5.850 -1.700 -11.823 1.00 55.53 S ATOM 0 H CYS A 48 7.838 2.028 -11.008 1.00 3.11 H new ATOM 0 HA CYS A 48 5.336 0.965 -12.154 1.00 14.24 H new ATOM 0 HB2 CYS A 48 7.310 -0.396 -10.422 1.00 64.33 H new ATOM 0 HB3 CYS A 48 5.677 -0.429 -9.786 1.00 64.33 H new ATOM 691 N ILE A 49 3.993 1.940 -10.252 1.00 41.41 N ATOM 692 CA ILE A 49 3.225 2.744 -9.310 1.00 3.55 C ATOM 693 C ILE A 49 2.529 1.865 -8.276 1.00 43.22 C ATOM 694 O ILE A 49 1.768 0.962 -8.624 1.00 51.43 O ATOM 695 CB ILE A 49 2.170 3.603 -10.031 1.00 73.12 C ATOM 696 CG1 ILE A 49 2.849 4.686 -10.872 1.00 22.13 C ATOM 697 CG2 ILE A 49 1.216 4.227 -9.024 1.00 11.34 C ATOM 698 CD1 ILE A 49 3.340 5.863 -10.058 1.00 71.02 C ATOM 0 H ILE A 49 3.426 1.381 -10.890 1.00 41.41 H new ATOM 0 HA ILE A 49 3.934 3.401 -8.806 1.00 3.55 H new ATOM 0 HB ILE A 49 1.594 2.960 -10.697 1.00 73.12 H new ATOM 0 HG12 ILE A 49 3.692 4.246 -11.405 1.00 22.13 H new ATOM 0 HG13 ILE A 49 2.147 5.043 -11.626 1.00 22.13 H new ATOM 0 HG21 ILE A 49 0.476 4.831 -9.549 1.00 11.34 H new ATOM 0 HG22 ILE A 49 0.711 3.439 -8.465 1.00 11.34 H new ATOM 0 HG23 ILE A 49 1.777 4.858 -8.335 1.00 11.34 H new ATOM 0 HD11 ILE A 49 3.810 6.591 -10.719 1.00 71.02 H new ATOM 0 HD12 ILE A 49 2.498 6.328 -9.546 1.00 71.02 H new ATOM 0 HD13 ILE A 49 4.066 5.519 -9.322 1.00 71.02 H new ATOM 710 N LYS A 50 2.794 2.136 -7.003 1.00 30.14 N ATOM 711 CA LYS A 50 2.191 1.372 -5.916 1.00 44.34 C ATOM 712 C LYS A 50 2.633 -0.087 -5.967 1.00 1.23 C ATOM 713 O LYS A 50 1.926 -0.942 -6.502 1.00 1.04 O ATOM 714 CB LYS A 50 0.665 1.457 -5.991 1.00 42.22 C ATOM 715 CG LYS A 50 0.059 2.418 -4.983 1.00 3.01 C ATOM 716 CD LYS A 50 -1.391 2.074 -4.686 1.00 64.41 C ATOM 717 CE LYS A 50 -2.346 2.980 -5.447 1.00 1.32 C ATOM 718 NZ LYS A 50 -2.739 4.171 -4.643 1.00 63.12 N ATOM 0 H LYS A 50 3.423 2.879 -6.698 1.00 30.14 H new ATOM 0 HA LYS A 50 2.526 1.802 -4.972 1.00 44.34 H new ATOM 0 HB2 LYS A 50 0.376 1.767 -6.995 1.00 42.22 H new ATOM 0 HB3 LYS A 50 0.246 0.464 -5.831 1.00 42.22 H new ATOM 0 HG2 LYS A 50 0.637 2.390 -4.059 1.00 3.01 H new ATOM 0 HG3 LYS A 50 0.121 3.436 -5.367 1.00 3.01 H new ATOM 0 HD2 LYS A 50 -1.582 1.035 -4.955 1.00 64.41 H new ATOM 0 HD3 LYS A 50 -1.576 2.166 -3.616 1.00 64.41 H new ATOM 0 HE2 LYS A 50 -1.875 3.307 -6.374 1.00 1.32 H new ATOM 0 HE3 LYS A 50 -3.238 2.418 -5.723 1.00 1.32 H new ATOM 0 HZ1 LYS A 50 -3.390 4.764 -5.196 1.00 63.12 H new ATOM 0 HZ2 LYS A 50 -3.211 3.860 -3.770 1.00 63.12 H new ATOM 0 HZ3 LYS A 50 -1.891 4.722 -4.401 1.00 63.12 H new ATOM 732 N LEU A 51 3.805 -0.365 -5.406 1.00 34.13 N ATOM 733 CA LEU A 51 4.340 -1.722 -5.385 1.00 71.02 C ATOM 734 C LEU A 51 4.318 -2.295 -3.972 1.00 4.45 C ATOM 735 O LEU A 51 4.567 -1.596 -2.989 1.00 21.14 O ATOM 736 CB LEU A 51 5.769 -1.736 -5.932 1.00 34.13 C ATOM 737 CG LEU A 51 6.077 -2.808 -6.978 1.00 34.14 C ATOM 738 CD1 LEU A 51 6.771 -2.194 -8.183 1.00 4.21 C ATOM 739 CD2 LEU A 51 6.931 -3.913 -6.373 1.00 74.12 C ATOM 0 H LEU A 51 4.403 0.331 -4.960 1.00 34.13 H new ATOM 0 HA LEU A 51 3.709 -2.345 -6.019 1.00 71.02 H new ATOM 0 HB2 LEU A 51 5.979 -0.760 -6.369 1.00 34.13 H new ATOM 0 HB3 LEU A 51 6.456 -1.865 -5.095 1.00 34.13 H new ATOM 0 HG LEU A 51 5.136 -3.245 -7.311 1.00 34.14 H new ATOM 0 HD11 LEU A 51 6.982 -2.972 -8.917 1.00 4.21 H new ATOM 0 HD12 LEU A 51 6.124 -1.440 -8.630 1.00 4.21 H new ATOM 0 HD13 LEU A 51 7.705 -1.730 -7.867 1.00 4.21 H new ATOM 0 HD21 LEU A 51 7.141 -4.667 -7.131 1.00 74.12 H new ATOM 0 HD22 LEU A 51 7.869 -3.491 -6.012 1.00 74.12 H new ATOM 0 HD23 LEU A 51 6.396 -4.373 -5.542 1.00 74.12 H new ATOM 751 N PRO A 52 4.016 -3.597 -3.865 1.00 23.01 N ATOM 752 CA PRO A 52 3.958 -4.293 -2.576 1.00 60.21 C ATOM 753 C PRO A 52 5.336 -4.461 -1.945 1.00 10.41 C ATOM 754 O PRO A 52 6.329 -4.665 -2.644 1.00 13.12 O ATOM 755 CB PRO A 52 3.366 -5.658 -2.937 1.00 14.25 C ATOM 756 CG PRO A 52 3.720 -5.858 -4.369 1.00 64.34 C ATOM 757 CD PRO A 52 3.709 -4.491 -4.994 1.00 52.42 C ATOM 0 HA PRO A 52 3.374 -3.740 -1.840 1.00 60.21 H new ATOM 0 HB2 PRO A 52 3.783 -6.448 -2.312 1.00 14.25 H new ATOM 0 HB3 PRO A 52 2.286 -5.672 -2.791 1.00 14.25 H new ATOM 0 HG2 PRO A 52 4.701 -6.324 -4.467 1.00 64.34 H new ATOM 0 HG3 PRO A 52 3.004 -6.517 -4.860 1.00 64.34 H new ATOM 0 HD2 PRO A 52 4.452 -4.406 -5.787 1.00 52.42 H new ATOM 0 HD3 PRO A 52 2.741 -4.260 -5.438 1.00 52.42 H new ATOM 765 N ASP A 53 5.389 -4.373 -0.620 1.00 63.24 N ATOM 766 CA ASP A 53 6.646 -4.517 0.105 1.00 0.33 C ATOM 767 C ASP A 53 7.333 -5.831 -0.252 1.00 40.03 C ATOM 768 O ASP A 53 8.555 -5.887 -0.387 1.00 63.42 O ATOM 769 CB ASP A 53 6.399 -4.450 1.613 1.00 3.33 C ATOM 770 CG ASP A 53 7.517 -3.740 2.352 1.00 51.32 C ATOM 771 OD1 ASP A 53 8.145 -2.841 1.754 1.00 12.25 O ATOM 772 OD2 ASP A 53 7.764 -4.084 3.527 1.00 43.42 O ATOM 0 H ASP A 53 4.577 -4.203 -0.027 1.00 63.24 H new ATOM 0 HA ASP A 53 7.301 -3.696 -0.186 1.00 0.33 H new ATOM 0 HB2 ASP A 53 5.458 -3.934 1.801 1.00 3.33 H new ATOM 0 HB3 ASP A 53 6.292 -5.461 2.006 1.00 3.33 H new ATOM 777 N SER A 54 6.539 -6.886 -0.403 1.00 71.15 N ATOM 778 CA SER A 54 7.071 -8.201 -0.741 1.00 31.35 C ATOM 779 C SER A 54 8.021 -8.114 -1.931 1.00 72.22 C ATOM 780 O SER A 54 8.982 -8.877 -2.031 1.00 10.05 O ATOM 781 CB SER A 54 5.930 -9.171 -1.054 1.00 20.34 C ATOM 782 OG SER A 54 6.129 -10.417 -0.409 1.00 33.52 O ATOM 0 H SER A 54 5.525 -6.856 -0.297 1.00 71.15 H new ATOM 0 HA SER A 54 7.628 -8.572 0.119 1.00 31.35 H new ATOM 0 HB2 SER A 54 4.982 -8.739 -0.733 1.00 20.34 H new ATOM 0 HB3 SER A 54 5.862 -9.322 -2.131 1.00 20.34 H new ATOM 0 HG SER A 54 5.386 -11.019 -0.623 1.00 33.52 H new ATOM 788 N VAL A 55 7.744 -7.178 -2.834 1.00 21.23 N ATOM 789 CA VAL A 55 8.573 -6.989 -4.018 1.00 24.11 C ATOM 790 C VAL A 55 9.366 -5.690 -3.932 1.00 51.41 C ATOM 791 O VAL A 55 8.942 -4.642 -4.421 1.00 5.22 O ATOM 792 CB VAL A 55 7.723 -6.975 -5.302 1.00 62.31 C ATOM 793 CG1 VAL A 55 8.590 -6.667 -6.513 1.00 61.24 C ATOM 794 CG2 VAL A 55 7.001 -8.303 -5.477 1.00 0.22 C ATOM 0 H VAL A 55 6.952 -6.539 -2.768 1.00 21.23 H new ATOM 0 HA VAL A 55 9.264 -7.831 -4.058 1.00 24.11 H new ATOM 0 HB VAL A 55 6.973 -6.189 -5.212 1.00 62.31 H new ATOM 0 HG11 VAL A 55 7.972 -6.661 -7.411 1.00 61.24 H new ATOM 0 HG12 VAL A 55 9.057 -5.690 -6.387 1.00 61.24 H new ATOM 0 HG13 VAL A 55 9.364 -7.429 -6.610 1.00 61.24 H new ATOM 0 HG21 VAL A 55 6.405 -8.276 -6.389 1.00 0.22 H new ATOM 0 HG22 VAL A 55 7.732 -9.108 -5.545 1.00 0.22 H new ATOM 0 HG23 VAL A 55 6.348 -8.477 -4.622 1.00 0.22 H new ATOM 804 N PRO A 56 10.545 -5.757 -3.296 1.00 41.54 N ATOM 805 CA PRO A 56 11.423 -4.594 -3.132 1.00 70.13 C ATOM 806 C PRO A 56 12.048 -4.149 -4.450 1.00 54.31 C ATOM 807 O PRO A 56 12.696 -4.938 -5.138 1.00 41.31 O ATOM 808 CB PRO A 56 12.503 -5.098 -2.172 1.00 21.21 C ATOM 809 CG PRO A 56 12.527 -6.575 -2.370 1.00 12.43 C ATOM 810 CD PRO A 56 11.112 -6.972 -2.689 1.00 64.35 C ATOM 0 HA PRO A 56 10.881 -3.722 -2.766 1.00 70.13 H new ATOM 0 HB2 PRO A 56 13.472 -4.653 -2.397 1.00 21.21 H new ATOM 0 HB3 PRO A 56 12.266 -4.841 -1.140 1.00 21.21 H new ATOM 0 HG2 PRO A 56 13.202 -6.849 -3.181 1.00 12.43 H new ATOM 0 HG3 PRO A 56 12.883 -7.083 -1.474 1.00 12.43 H new ATOM 0 HD2 PRO A 56 11.077 -7.818 -3.376 1.00 64.35 H new ATOM 0 HD3 PRO A 56 10.565 -7.266 -1.793 1.00 64.35 H new ATOM 818 N ILE A 57 11.849 -2.881 -4.795 1.00 73.22 N ATOM 819 CA ILE A 57 12.394 -2.332 -6.030 1.00 43.50 C ATOM 820 C ILE A 57 13.906 -2.518 -6.094 1.00 5.44 C ATOM 821 O ILE A 57 14.509 -3.098 -5.191 1.00 22.14 O ATOM 822 CB ILE A 57 12.066 -0.834 -6.173 1.00 2.42 C ATOM 823 CG1 ILE A 57 12.390 -0.092 -4.874 1.00 62.21 C ATOM 824 CG2 ILE A 57 10.603 -0.645 -6.546 1.00 5.10 C ATOM 825 CD1 ILE A 57 13.873 0.098 -4.641 1.00 14.32 C ATOM 0 H ILE A 57 11.315 -2.215 -4.237 1.00 73.22 H new ATOM 0 HA ILE A 57 11.928 -2.878 -6.851 1.00 43.50 H new ATOM 0 HB ILE A 57 12.681 -0.417 -6.971 1.00 2.42 H new ATOM 0 HG12 ILE A 57 11.905 0.884 -4.892 1.00 62.21 H new ATOM 0 HG13 ILE A 57 11.966 -0.643 -4.035 1.00 62.21 H new ATOM 0 HG21 ILE A 57 10.387 0.419 -6.643 1.00 5.10 H new ATOM 0 HG22 ILE A 57 10.402 -1.144 -7.494 1.00 5.10 H new ATOM 0 HG23 ILE A 57 9.971 -1.074 -5.768 1.00 5.10 H new ATOM 0 HD11 ILE A 57 14.029 0.631 -3.703 1.00 14.32 H new ATOM 0 HD12 ILE A 57 14.361 -0.875 -4.591 1.00 14.32 H new ATOM 0 HD13 ILE A 57 14.299 0.676 -5.461 1.00 14.32 H new ATOM 837 N ARG A 58 14.514 -2.019 -7.166 1.00 31.45 N ATOM 838 CA ARG A 58 15.956 -2.130 -7.347 1.00 23.12 C ATOM 839 C ARG A 58 16.701 -1.326 -6.285 1.00 51.33 C ATOM 840 O ARG A 58 16.573 -0.103 -6.214 1.00 60.33 O ATOM 841 CB ARG A 58 16.355 -1.646 -8.742 1.00 40.40 C ATOM 842 CG ARG A 58 17.367 -2.545 -9.433 1.00 31.01 C ATOM 843 CD ARG A 58 18.770 -2.325 -8.890 1.00 42.41 C ATOM 844 NE ARG A 58 19.784 -2.985 -9.709 1.00 14.24 N ATOM 845 CZ ARG A 58 21.061 -3.082 -9.359 1.00 65.40 C ATOM 846 NH1 ARG A 58 21.480 -2.566 -8.212 1.00 13.21 N ATOM 847 NH2 ARG A 58 21.924 -3.698 -10.158 1.00 32.55 N ATOM 0 H ARG A 58 14.030 -1.534 -7.922 1.00 31.45 H new ATOM 0 HA ARG A 58 16.230 -3.180 -7.242 1.00 23.12 H new ATOM 0 HB2 ARG A 58 15.461 -1.576 -9.362 1.00 40.40 H new ATOM 0 HB3 ARG A 58 16.769 -0.641 -8.664 1.00 40.40 H new ATOM 0 HG2 ARG A 58 17.082 -3.588 -9.296 1.00 31.01 H new ATOM 0 HG3 ARG A 58 17.356 -2.350 -10.505 1.00 31.01 H new ATOM 0 HD2 ARG A 58 18.978 -1.256 -8.847 1.00 42.41 H new ATOM 0 HD3 ARG A 58 18.827 -2.702 -7.869 1.00 42.41 H new ATOM 0 HE ARG A 58 19.495 -3.393 -10.598 1.00 14.24 H new ATOM 0 HH11 ARG A 58 20.820 -2.092 -7.595 1.00 13.21 H new ATOM 0 HH12 ARG A 58 22.462 -2.643 -7.947 1.00 13.21 H new ATOM 0 HH21 ARG A 58 21.606 -4.097 -11.041 1.00 32.55 H new ATOM 0 HH22 ARG A 58 22.905 -3.772 -9.889 1.00 32.55 H new ATOM 861 N VAL A 59 17.479 -2.020 -5.461 1.00 71.52 N ATOM 862 CA VAL A 59 18.245 -1.371 -4.404 1.00 35.53 C ATOM 863 C VAL A 59 19.652 -1.025 -4.877 1.00 74.13 C ATOM 864 O VAL A 59 20.184 -1.624 -5.812 1.00 72.01 O ATOM 865 CB VAL A 59 18.341 -2.264 -3.152 1.00 62.01 C ATOM 866 CG1 VAL A 59 16.995 -2.346 -2.449 1.00 53.12 C ATOM 867 CG2 VAL A 59 18.843 -3.651 -3.525 1.00 35.02 C ATOM 0 H VAL A 59 17.596 -3.032 -5.505 1.00 71.52 H new ATOM 0 HA VAL A 59 17.716 -0.453 -4.148 1.00 35.53 H new ATOM 0 HB VAL A 59 19.057 -1.817 -2.462 1.00 62.01 H new ATOM 0 HG11 VAL A 59 17.083 -2.981 -1.567 1.00 53.12 H new ATOM 0 HG12 VAL A 59 16.681 -1.347 -2.147 1.00 53.12 H new ATOM 0 HG13 VAL A 59 16.255 -2.769 -3.128 1.00 53.12 H new ATOM 0 HG21 VAL A 59 18.905 -4.269 -2.629 1.00 35.02 H new ATOM 0 HG22 VAL A 59 18.154 -4.109 -4.234 1.00 35.02 H new ATOM 0 HG23 VAL A 59 19.831 -3.571 -3.979 1.00 35.02 H new ATOM 877 N PRO A 60 20.271 -0.035 -4.218 1.00 10.13 N ATOM 878 CA PRO A 60 21.626 0.413 -4.553 1.00 53.40 C ATOM 879 C PRO A 60 22.685 -0.622 -4.192 1.00 21.23 C ATOM 880 O PRO A 60 23.036 -0.784 -3.024 1.00 4.42 O ATOM 881 CB PRO A 60 21.801 1.676 -3.706 1.00 4.12 C ATOM 882 CG PRO A 60 20.871 1.494 -2.557 1.00 32.11 C ATOM 883 CD PRO A 60 19.697 0.723 -3.093 1.00 75.23 C ATOM 0 HA PRO A 60 21.747 0.581 -5.623 1.00 53.40 H new ATOM 0 HB2 PRO A 60 22.831 1.786 -3.368 1.00 4.12 H new ATOM 0 HB3 PRO A 60 21.555 2.572 -4.276 1.00 4.12 H new ATOM 0 HG2 PRO A 60 21.356 0.952 -1.745 1.00 32.11 H new ATOM 0 HG3 PRO A 60 20.555 2.456 -2.154 1.00 32.11 H new ATOM 0 HD2 PRO A 60 19.272 0.061 -2.338 1.00 75.23 H new ATOM 0 HD3 PRO A 60 18.897 1.386 -3.422 1.00 75.23 H new ATOM 891 N GLY A 61 23.191 -1.322 -5.203 1.00 24.04 N ATOM 892 CA GLY A 61 24.206 -2.333 -4.970 1.00 62.11 C ATOM 893 C GLY A 61 24.567 -3.093 -6.231 1.00 42.21 C ATOM 894 O GLY A 61 24.362 -2.602 -7.341 1.00 44.34 O ATOM 0 H GLY A 61 22.916 -1.207 -6.179 1.00 24.04 H new ATOM 0 HA2 GLY A 61 25.101 -1.859 -4.566 1.00 62.11 H new ATOM 0 HA3 GLY A 61 23.849 -3.035 -4.216 1.00 62.11 H new ATOM 898 N LYS A 62 25.108 -4.295 -6.061 1.00 51.45 N ATOM 899 CA LYS A 62 25.499 -5.125 -7.194 1.00 45.24 C ATOM 900 C LYS A 62 24.361 -6.052 -7.609 1.00 3.04 C ATOM 901 O LYS A 62 23.405 -6.251 -6.859 1.00 11.11 O ATOM 902 CB LYS A 62 26.741 -5.949 -6.845 1.00 11.45 C ATOM 903 CG LYS A 62 28.042 -5.179 -6.989 1.00 2.21 C ATOM 904 CD LYS A 62 29.175 -5.852 -6.233 1.00 23.11 C ATOM 905 CE LYS A 62 30.527 -5.272 -6.621 1.00 14.32 C ATOM 906 NZ LYS A 62 31.427 -5.129 -5.444 1.00 4.43 N ATOM 0 H LYS A 62 25.286 -4.716 -5.149 1.00 51.45 H new ATOM 0 HA LYS A 62 25.731 -4.466 -8.031 1.00 45.24 H new ATOM 0 HB2 LYS A 62 26.652 -6.308 -5.819 1.00 11.45 H new ATOM 0 HB3 LYS A 62 26.776 -6.828 -7.488 1.00 11.45 H new ATOM 0 HG2 LYS A 62 28.304 -5.100 -8.044 1.00 2.21 H new ATOM 0 HG3 LYS A 62 27.908 -4.163 -6.617 1.00 2.21 H new ATOM 0 HD2 LYS A 62 29.020 -5.731 -5.161 1.00 23.11 H new ATOM 0 HD3 LYS A 62 29.165 -6.923 -6.438 1.00 23.11 H new ATOM 0 HE2 LYS A 62 30.999 -5.916 -7.363 1.00 14.32 H new ATOM 0 HE3 LYS A 62 30.384 -4.298 -7.089 1.00 14.32 H new ATOM 0 HZ1 LYS A 62 32.338 -4.731 -5.750 1.00 4.43 H new ATOM 0 HZ2 LYS A 62 30.988 -4.494 -4.747 1.00 4.43 H new ATOM 0 HZ3 LYS A 62 31.585 -6.062 -5.012 1.00 4.43 H new ATOM 920 N CYS A 63 24.471 -6.618 -8.806 1.00 22.13 N ATOM 921 CA CYS A 63 23.452 -7.525 -9.320 1.00 23.34 C ATOM 922 C CYS A 63 23.949 -8.968 -9.301 1.00 21.15 C ATOM 923 O CYS A 63 25.126 -9.232 -9.543 1.00 23.21 O ATOM 924 CB CYS A 63 23.058 -7.129 -10.744 1.00 1.12 C ATOM 925 SG CYS A 63 21.920 -8.299 -11.553 1.00 41.22 S ATOM 0 H CYS A 63 25.256 -6.464 -9.439 1.00 22.13 H new ATOM 0 HA CYS A 63 22.577 -7.452 -8.674 1.00 23.34 H new ATOM 0 HB2 CYS A 63 22.593 -6.144 -10.720 1.00 1.12 H new ATOM 0 HB3 CYS A 63 23.961 -7.040 -11.348 1.00 1.12 H new ATOM 930 N GLN A 64 23.043 -9.896 -9.011 1.00 71.30 N ATOM 931 CA GLN A 64 23.389 -11.312 -8.960 1.00 3.30 C ATOM 932 C GLN A 64 22.294 -12.163 -9.594 1.00 22.45 C ATOM 933 O GLN A 64 21.286 -11.642 -10.072 1.00 1.02 O ATOM 934 CB GLN A 64 23.620 -11.750 -7.513 1.00 33.23 C ATOM 935 CG GLN A 64 24.977 -12.393 -7.281 1.00 23.44 C ATOM 936 CD GLN A 64 25.441 -12.274 -5.842 1.00 64.34 C ATOM 937 OE1 GLN A 64 25.057 -13.071 -4.986 1.00 14.22 O ATOM 938 NE2 GLN A 64 26.273 -11.276 -5.569 1.00 64.03 N ATOM 0 H GLN A 64 22.064 -9.693 -8.808 1.00 71.30 H new ATOM 0 HA GLN A 64 24.309 -11.457 -9.527 1.00 3.30 H new ATOM 0 HB2 GLN A 64 23.522 -10.883 -6.860 1.00 33.23 H new ATOM 0 HB3 GLN A 64 22.840 -12.455 -7.227 1.00 33.23 H new ATOM 0 HG2 GLN A 64 24.928 -13.446 -7.557 1.00 23.44 H new ATOM 0 HG3 GLN A 64 25.713 -11.926 -7.936 1.00 23.44 H new ATOM 0 HE21 GLN A 64 26.565 -10.639 -6.310 1.00 64.03 H new ATOM 0 HE22 GLN A 64 26.620 -11.147 -4.619 1.00 64.03 H new TER 947 GLN A 64