USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 470 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 46 ASN : amide:sc= -0.331 K(o=-0.33,f=-5.1!) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.504 K(o=-0.5,f=-2.1) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.685 (180deg=-1.13) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.393 K(o=-0.39,f=-1.8!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00277 X(o=-0.0028,f=-0.44) USER MOD Single : A 25 ASN : amide:sc= -0.0175 K(o=-0.018,f=-0.84) USER MOD Single : A 29 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=-0.026) USER MOD Single : A 30 SER OG : rot -48:sc= 0.988 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0572 K(o=-0.057,f=-5.1!) USER MOD Single : A 33 ASN : amide:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 82:sc= 0.716 USER MOD Single : A 42 ASN : amide:sc= 0.192 K(o=0.19,f=-4.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= -0.17 (180deg=-1.04) USER MOD Single : A 52 ASN : amide:sc= 0.696 K(o=0.7,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.000315 (180deg=-0.175) USER MOD Single : A 63 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.5!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 0.034 -0.132 2.703 1.00 0.00 N ATOM 32 CA ILE A 3 1.020 0.856 2.278 1.00 0.00 C ATOM 33 C ILE A 3 2.429 0.393 2.633 1.00 0.00 C ATOM 34 O ILE A 3 2.645 -0.234 3.670 1.00 0.00 O ATOM 35 CB ILE A 3 0.735 2.200 2.951 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.390 3.325 2.144 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.304 2.194 4.373 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.500 3.688 0.955 1.00 0.00 C ATOM 0 HA ILE A 3 0.951 0.971 1.196 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.342 2.362 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.543 4.199 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.373 3.010 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.100 3.152 4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.837 1.395 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.381 2.030 4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.967 4.489 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.370 2.813 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.473 4.021 1.317 1.00 0.00 H new ATOM 50 N GLU A 4 3.385 0.707 1.765 1.00 0.00 N ATOM 51 CA GLU A 4 4.772 0.320 1.997 1.00 0.00 C ATOM 52 C GLU A 4 5.320 1.015 3.238 1.00 0.00 C ATOM 53 O GLU A 4 4.654 1.862 3.833 1.00 0.00 O ATOM 54 CB GLU A 4 5.627 0.689 0.784 1.00 0.00 C ATOM 55 CG GLU A 4 5.613 2.207 0.592 1.00 0.00 C ATOM 56 CD GLU A 4 6.431 2.585 -0.637 1.00 0.00 C ATOM 57 OE1 GLU A 4 7.227 1.767 -1.069 1.00 0.00 O ATOM 58 OE2 GLU A 4 6.249 3.686 -1.130 1.00 0.00 O ATOM 0 H GLU A 4 3.227 1.225 0.900 1.00 0.00 H new ATOM 0 HA GLU A 4 4.808 -0.758 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.649 0.339 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.243 0.195 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.587 2.558 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.021 2.697 1.476 1.00 0.00 H new ATOM 65 N SER A 5 6.539 0.651 3.625 1.00 0.00 N ATOM 66 CA SER A 5 7.167 1.247 4.798 1.00 0.00 C ATOM 67 C SER A 5 7.324 2.753 4.614 1.00 0.00 C ATOM 68 O SER A 5 7.571 3.230 3.506 1.00 0.00 O ATOM 69 CB SER A 5 8.538 0.614 5.035 1.00 0.00 C ATOM 70 OG SER A 5 8.376 -0.775 5.291 1.00 0.00 O ATOM 0 H SER A 5 7.107 -0.048 3.147 1.00 0.00 H new ATOM 0 HA SER A 5 6.529 1.063 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.176 0.763 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.033 1.096 5.878 1.00 0.00 H new ATOM 0 HG SER A 5 9.254 -1.184 5.442 1.00 0.00 H new ATOM 76 N HIS A 6 7.176 3.496 5.706 1.00 0.00 N ATOM 77 CA HIS A 6 7.302 4.949 5.653 1.00 0.00 C ATOM 78 C HIS A 6 8.702 5.383 6.073 1.00 0.00 C ATOM 79 O HIS A 6 8.893 6.489 6.578 1.00 0.00 O ATOM 80 CB HIS A 6 6.267 5.597 6.574 1.00 0.00 C ATOM 81 CG HIS A 6 6.485 5.127 7.986 1.00 0.00 C ATOM 82 ND1 HIS A 6 7.440 5.695 8.815 1.00 0.00 N ATOM 83 CD2 HIS A 6 5.878 4.146 8.730 1.00 0.00 C ATOM 84 CE1 HIS A 6 7.380 5.057 9.998 1.00 0.00 C ATOM 85 NE2 HIS A 6 6.445 4.104 10.000 1.00 0.00 N ATOM 0 H HIS A 6 6.970 3.120 6.632 1.00 0.00 H new ATOM 0 HA HIS A 6 7.128 5.272 4.627 1.00 0.00 H new ATOM 0 HB2 HIS A 6 6.350 6.683 6.524 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.260 5.339 6.245 1.00 0.00 H new ATOM 0 HD1 HIS A 6 8.073 6.457 8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.082 3.505 8.383 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.011 5.288 10.843 1.00 0.00 H new ATOM 94 N GLN A 7 9.678 4.506 5.862 1.00 0.00 N ATOM 95 CA GLN A 7 11.057 4.813 6.224 1.00 0.00 C ATOM 96 C GLN A 7 11.506 6.114 5.567 1.00 0.00 C ATOM 97 O GLN A 7 11.262 6.338 4.381 1.00 0.00 O ATOM 98 CB GLN A 7 11.978 3.672 5.789 1.00 0.00 C ATOM 99 CG GLN A 7 13.398 3.943 6.289 1.00 0.00 C ATOM 100 CD GLN A 7 14.328 2.814 5.857 1.00 0.00 C ATOM 101 OE1 GLN A 7 14.418 2.503 4.669 1.00 0.00 O ATOM 102 NE2 GLN A 7 15.029 2.178 6.756 1.00 0.00 N ATOM 0 H GLN A 7 9.542 3.585 5.446 1.00 0.00 H new ATOM 0 HA GLN A 7 11.112 4.929 7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.615 2.725 6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.975 3.582 4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.757 4.893 5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.399 4.031 7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.953 2.437 7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.653 1.422 6.475 1.00 0.00 H new ATOM 111 N VAL A 8 12.161 6.969 6.345 1.00 0.00 N ATOM 112 CA VAL A 8 12.637 8.247 5.829 1.00 0.00 C ATOM 113 C VAL A 8 14.105 8.460 6.187 1.00 0.00 C ATOM 114 O VAL A 8 14.589 7.944 7.195 1.00 0.00 O ATOM 115 CB VAL A 8 11.796 9.387 6.407 1.00 0.00 C ATOM 116 CG1 VAL A 8 11.920 9.391 7.932 1.00 0.00 C ATOM 117 CG2 VAL A 8 12.297 10.723 5.851 1.00 0.00 C ATOM 0 H VAL A 8 12.373 6.802 7.329 1.00 0.00 H new ATOM 0 HA VAL A 8 12.540 8.238 4.743 1.00 0.00 H new ATOM 0 HB VAL A 8 10.752 9.245 6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.321 10.203 8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.564 8.440 8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.964 9.532 8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.698 11.536 6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.341 10.864 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.209 10.721 4.765 1.00 0.00 H new ATOM 127 N GLU A 9 14.808 9.221 5.355 1.00 0.00 N ATOM 128 CA GLU A 9 16.221 9.494 5.593 1.00 0.00 C ATOM 129 C GLU A 9 16.512 10.985 5.451 1.00 0.00 C ATOM 130 O GLU A 9 15.672 11.750 4.977 1.00 0.00 O ATOM 131 CB GLU A 9 17.087 8.706 4.606 1.00 0.00 C ATOM 132 CG GLU A 9 16.346 8.544 3.276 1.00 0.00 C ATOM 133 CD GLU A 9 15.887 9.904 2.761 1.00 0.00 C ATOM 134 OE1 GLU A 9 16.711 10.803 2.703 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.719 10.028 2.432 1.00 0.00 O ATOM 0 H GLU A 9 14.426 9.657 4.516 1.00 0.00 H new ATOM 0 HA GLU A 9 16.461 9.183 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.033 9.224 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.327 7.727 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.999 8.071 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.486 7.888 3.408 1.00 0.00 H new ATOM 142 N LYS A 10 17.707 11.390 5.867 1.00 0.00 N ATOM 143 CA LYS A 10 18.102 12.791 5.784 1.00 0.00 C ATOM 144 C LYS A 10 19.551 12.911 5.325 1.00 0.00 C ATOM 145 O LYS A 10 20.321 11.954 5.414 1.00 0.00 O ATOM 146 CB LYS A 10 17.935 13.460 7.150 1.00 0.00 C ATOM 147 CG LYS A 10 18.805 12.741 8.182 1.00 0.00 C ATOM 148 CD LYS A 10 18.492 13.282 9.578 1.00 0.00 C ATOM 149 CE LYS A 10 19.298 12.504 10.619 1.00 0.00 C ATOM 150 NZ LYS A 10 18.977 13.018 11.980 1.00 0.00 N ATOM 0 H LYS A 10 18.415 10.772 6.263 1.00 0.00 H new ATOM 0 HA LYS A 10 17.462 13.290 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.219 14.511 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.889 13.429 7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.619 11.668 8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.860 12.889 7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 10 18.737 14.343 9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.426 13.190 9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 10 19.065 11.441 10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.365 12.608 10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.525 12.490 12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.221 14.027 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.961 12.896 12.166 1.00 0.00 H new ATOM 164 N ARG A 11 19.916 14.089 4.831 1.00 0.00 N ATOM 165 CA ARG A 11 21.276 14.317 4.356 1.00 0.00 C ATOM 166 C ARG A 11 21.718 15.749 4.647 1.00 0.00 C ATOM 167 O ARG A 11 21.989 16.527 3.734 1.00 0.00 O ATOM 168 CB ARG A 11 21.398 14.024 2.844 1.00 0.00 C ATOM 169 CG ARG A 11 20.081 14.308 2.091 1.00 0.00 C ATOM 170 CD ARG A 11 19.881 15.817 1.930 1.00 0.00 C ATOM 171 NE ARG A 11 19.242 16.379 3.116 1.00 0.00 N ATOM 172 CZ ARG A 11 17.926 16.281 3.319 1.00 0.00 C ATOM 173 NH1 ARG A 11 17.158 15.668 2.454 1.00 0.00 N ATOM 174 NH2 ARG A 11 17.399 16.801 4.393 1.00 0.00 N ATOM 0 H ARG A 11 19.295 14.894 4.749 1.00 0.00 H new ATOM 0 HA ARG A 11 21.930 13.630 4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.196 14.633 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.681 12.981 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 11 20.103 13.830 1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 11 19.241 13.878 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.843 16.301 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 11 19.268 16.017 1.051 1.00 0.00 H new ATOM 0 HE ARG A 11 19.816 16.860 3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.564 15.258 1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.154 15.600 2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.992 17.279 5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.394 16.730 4.554 1.00 0.00 H new ATOM 188 N LYS A 12 21.797 16.088 5.929 1.00 0.00 N ATOM 189 CA LYS A 12 22.215 17.428 6.328 1.00 0.00 C ATOM 190 C LYS A 12 23.637 17.705 5.853 1.00 0.00 C ATOM 191 O LYS A 12 24.434 16.783 5.680 1.00 0.00 O ATOM 192 CB LYS A 12 22.144 17.567 7.851 1.00 0.00 C ATOM 193 CG LYS A 12 23.244 16.721 8.495 1.00 0.00 C ATOM 194 CD LYS A 12 23.059 16.714 10.014 1.00 0.00 C ATOM 195 CE LYS A 12 24.190 15.915 10.665 1.00 0.00 C ATOM 196 NZ LYS A 12 25.458 16.696 10.592 1.00 0.00 N ATOM 0 H LYS A 12 21.580 15.461 6.703 1.00 0.00 H new ATOM 0 HA LYS A 12 21.542 18.152 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 12 22.261 18.612 8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 12 21.166 17.246 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 12 23.207 15.702 8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 12 24.224 17.124 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 12 23.056 17.735 10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 12 22.095 16.275 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 12 23.944 15.697 11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 12 24.311 14.957 10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 26.268 16.055 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 25.523 17.167 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.469 17.411 11.347 1.00 0.00 H new ATOM 210 N CYS A 13 23.950 18.980 5.643 1.00 0.00 N ATOM 211 CA CYS A 13 25.282 19.362 5.188 1.00 0.00 C ATOM 212 C CYS A 13 26.325 19.030 6.249 1.00 0.00 C ATOM 213 O CYS A 13 26.534 19.798 7.188 1.00 0.00 O ATOM 214 CB CYS A 13 25.320 20.861 4.886 1.00 0.00 C ATOM 215 SG CYS A 13 25.078 21.127 3.113 1.00 0.00 S ATOM 0 H CYS A 13 23.306 19.759 5.779 1.00 0.00 H new ATOM 0 HA CYS A 13 25.511 18.802 4.281 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.543 21.376 5.451 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.275 21.282 5.200 1.00 0.00 H new ATOM 0 HG CYS A 13 25.108 22.401 2.857 1.00 0.00 H new ATOM 220 N ASN A 14 26.979 17.884 6.093 1.00 0.00 N ATOM 221 CA ASN A 14 28.001 17.466 7.045 1.00 0.00 C ATOM 222 C ASN A 14 29.304 17.131 6.325 1.00 0.00 C ATOM 223 O ASN A 14 30.097 16.323 6.808 1.00 0.00 O ATOM 224 CB ASN A 14 27.520 16.240 7.827 1.00 0.00 C ATOM 225 CG ASN A 14 28.302 16.113 9.129 1.00 0.00 C ATOM 226 OD1 ASN A 14 28.641 17.119 9.752 1.00 0.00 O ATOM 227 ND2 ASN A 14 28.610 14.928 9.581 1.00 0.00 N ATOM 0 H ASN A 14 26.822 17.233 5.324 1.00 0.00 H new ATOM 0 HA ASN A 14 28.182 18.290 7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 14 26.455 16.329 8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 14 27.650 15.340 7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 14 29.133 14.834 10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 14 28.328 14.096 9.063 1.00 0.00 H new ATOM 234 N THR A 15 29.519 17.749 5.166 1.00 0.00 N ATOM 235 CA THR A 15 30.731 17.493 4.394 1.00 0.00 C ATOM 236 C THR A 15 31.431 18.800 4.029 1.00 0.00 C ATOM 237 O THR A 15 30.847 19.879 4.124 1.00 0.00 O ATOM 238 CB THR A 15 30.384 16.722 3.118 1.00 0.00 C ATOM 239 OG1 THR A 15 31.581 16.268 2.501 1.00 0.00 O ATOM 240 CG2 THR A 15 29.627 17.637 2.153 1.00 0.00 C ATOM 0 H THR A 15 28.878 18.422 4.745 1.00 0.00 H new ATOM 0 HA THR A 15 31.407 16.897 5.008 1.00 0.00 H new ATOM 0 HB THR A 15 29.756 15.867 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 15 31.361 15.773 1.685 1.00 0.00 H new ATOM 0 HG21 THR A 15 29.381 17.085 1.246 1.00 0.00 H new ATOM 0 HG22 THR A 15 28.709 17.985 2.626 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.251 18.494 1.899 1.00 0.00 H new ATOM 306 N GLN A 21 29.859 25.926 -0.528 1.00 0.00 N ATOM 307 CA GLN A 21 28.557 26.510 -0.829 1.00 0.00 C ATOM 308 C GLN A 21 28.261 27.710 0.070 1.00 0.00 C ATOM 309 O GLN A 21 27.703 28.709 -0.384 1.00 0.00 O ATOM 310 CB GLN A 21 27.464 25.455 -0.649 1.00 0.00 C ATOM 311 CG GLN A 21 26.115 26.042 -1.068 1.00 0.00 C ATOM 312 CD GLN A 21 25.045 24.956 -1.042 1.00 0.00 C ATOM 313 OE1 GLN A 21 25.269 23.850 -1.534 1.00 0.00 O ATOM 314 NE2 GLN A 21 23.888 25.206 -0.493 1.00 0.00 N ATOM 0 HA GLN A 21 28.574 26.856 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 21 27.692 24.574 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 21 27.424 25.131 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 21 25.838 26.854 -0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.189 26.468 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 21 23.704 26.123 -0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.167 24.484 -0.471 1.00 0.00 H new ATOM 323 N ARG A 22 28.625 27.609 1.347 1.00 0.00 N ATOM 324 CA ARG A 22 28.372 28.701 2.283 1.00 0.00 C ATOM 325 C ARG A 22 29.227 29.922 1.943 1.00 0.00 C ATOM 326 O ARG A 22 28.880 31.050 2.294 1.00 0.00 O ATOM 327 CB ARG A 22 28.625 28.233 3.728 1.00 0.00 C ATOM 328 CG ARG A 22 30.079 28.485 4.153 1.00 0.00 C ATOM 329 CD ARG A 22 30.181 29.844 4.849 1.00 0.00 C ATOM 330 NE ARG A 22 29.979 29.691 6.287 1.00 0.00 N ATOM 331 CZ ARG A 22 30.953 29.269 7.095 1.00 0.00 C ATOM 332 NH1 ARG A 22 32.137 28.972 6.621 1.00 0.00 N ATOM 333 NH2 ARG A 22 30.723 29.151 8.373 1.00 0.00 N ATOM 0 H ARG A 22 29.089 26.796 1.752 1.00 0.00 H new ATOM 0 HA ARG A 22 27.326 28.996 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 22 27.951 28.757 4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.399 27.170 3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.415 27.695 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.733 28.461 3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.158 30.287 4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 22 29.436 30.527 4.440 1.00 0.00 H new ATOM 0 HE ARG A 22 29.067 29.913 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 22 32.324 29.062 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 22 32.872 28.651 7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 22 29.803 29.381 8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 22 31.463 28.829 8.997 1.00 0.00 H new ATOM 347 N LEU A 23 30.336 29.695 1.244 1.00 0.00 N ATOM 348 CA LEU A 23 31.216 30.793 0.855 1.00 0.00 C ATOM 349 C LEU A 23 30.520 31.679 -0.172 1.00 0.00 C ATOM 350 O LEU A 23 30.613 32.905 -0.116 1.00 0.00 O ATOM 351 CB LEU A 23 32.520 30.244 0.267 1.00 0.00 C ATOM 352 CG LEU A 23 33.458 31.401 -0.092 1.00 0.00 C ATOM 353 CD1 LEU A 23 33.889 32.133 1.181 1.00 0.00 C ATOM 354 CD2 LEU A 23 34.696 30.846 -0.801 1.00 0.00 C ATOM 0 H LEU A 23 30.644 28.772 0.938 1.00 0.00 H new ATOM 0 HA LEU A 23 31.449 31.385 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 23 33.003 29.582 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 23 32.307 29.649 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 23 32.937 32.098 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 23 34.556 32.955 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 23 33.009 32.527 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 23 34.409 31.439 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 23 35.366 31.666 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 23 35.212 30.149 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 23 34.393 30.327 -1.710 1.00 0.00 H new ATOM 366 N ALA A 24 29.817 31.046 -1.106 1.00 0.00 N ATOM 367 CA ALA A 24 29.101 31.783 -2.140 1.00 0.00 C ATOM 368 C ALA A 24 28.096 32.736 -1.504 1.00 0.00 C ATOM 369 O ALA A 24 27.874 33.842 -1.998 1.00 0.00 O ATOM 370 CB ALA A 24 28.372 30.809 -3.067 1.00 0.00 C ATOM 0 H ALA A 24 29.728 30.032 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 24 29.821 32.360 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 24 27.840 31.368 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 24 29.096 30.144 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 24 27.660 30.220 -2.489 1.00 0.00 H new ATOM 376 N ASN A 25 27.498 32.300 -0.400 1.00 0.00 N ATOM 377 CA ASN A 25 26.523 33.123 0.306 1.00 0.00 C ATOM 378 C ASN A 25 27.170 34.418 0.788 1.00 0.00 C ATOM 379 O ASN A 25 26.523 35.463 0.845 1.00 0.00 O ATOM 380 CB ASN A 25 25.963 32.354 1.505 1.00 0.00 C ATOM 381 CG ASN A 25 24.762 33.094 2.083 1.00 0.00 C ATOM 382 OD1 ASN A 25 23.947 33.636 1.336 1.00 0.00 O ATOM 383 ND2 ASN A 25 24.602 33.149 3.377 1.00 0.00 N ATOM 0 H ASN A 25 27.670 31.388 0.023 1.00 0.00 H new ATOM 0 HA ASN A 25 25.712 33.366 -0.380 1.00 0.00 H new ATOM 0 HB2 ASN A 25 25.669 31.350 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.733 32.242 2.268 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.801 33.642 3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 25 25.278 32.699 3.994 1.00 0.00 H new ATOM 390 N PHE A 26 28.449 34.338 1.136 1.00 0.00 N ATOM 391 CA PHE A 26 29.176 35.509 1.614 1.00 0.00 C ATOM 392 C PHE A 26 29.264 36.577 0.526 1.00 0.00 C ATOM 393 O PHE A 26 29.162 37.771 0.808 1.00 0.00 O ATOM 394 CB PHE A 26 30.586 35.107 2.055 1.00 0.00 C ATOM 395 CG PHE A 26 31.301 36.313 2.615 1.00 0.00 C ATOM 396 CD1 PHE A 26 31.044 36.734 3.925 1.00 0.00 C ATOM 397 CD2 PHE A 26 32.222 37.011 1.823 1.00 0.00 C ATOM 398 CE1 PHE A 26 31.707 37.852 4.444 1.00 0.00 C ATOM 399 CE2 PHE A 26 32.885 38.130 2.343 1.00 0.00 C ATOM 400 CZ PHE A 26 32.628 38.550 3.653 1.00 0.00 C ATOM 0 H PHE A 26 29.001 33.481 1.097 1.00 0.00 H new ATOM 0 HA PHE A 26 28.633 35.923 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 26 30.533 34.320 2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 26 31.141 34.702 1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 26 30.334 36.196 4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 26 32.421 36.687 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 26 31.508 38.176 5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 26 33.595 38.669 1.733 1.00 0.00 H new ATOM 0 HZ PHE A 26 33.140 39.412 4.054 1.00 0.00 H new ATOM 410 N LEU A 27 29.459 36.143 -0.717 1.00 0.00 N ATOM 411 CA LEU A 27 29.563 37.079 -1.833 1.00 0.00 C ATOM 412 C LEU A 27 28.281 37.896 -1.970 1.00 0.00 C ATOM 413 O LEU A 27 28.327 39.119 -2.100 1.00 0.00 O ATOM 414 CB LEU A 27 29.832 36.313 -3.132 1.00 0.00 C ATOM 415 CG LEU A 27 30.796 37.105 -4.022 1.00 0.00 C ATOM 416 CD1 LEU A 27 30.319 38.556 -4.147 1.00 0.00 C ATOM 417 CD2 LEU A 27 32.204 37.076 -3.413 1.00 0.00 C ATOM 0 H LEU A 27 29.547 35.160 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 27 30.391 37.761 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 27 30.255 35.335 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 27 28.895 36.140 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 27 30.821 36.651 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 27 31.009 39.113 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 27 29.323 38.575 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 27 30.285 39.014 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 27 32.887 37.640 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 27 32.180 37.523 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 27 32.547 36.044 -3.338 1.00 0.00 H new ATOM 429 N VAL A 28 27.140 37.217 -1.930 1.00 0.00 N ATOM 430 CA VAL A 28 25.856 37.901 -2.040 1.00 0.00 C ATOM 431 C VAL A 28 25.538 38.638 -0.742 1.00 0.00 C ATOM 432 O VAL A 28 24.871 39.672 -0.753 1.00 0.00 O ATOM 433 CB VAL A 28 24.741 36.899 -2.360 1.00 0.00 C ATOM 434 CG1 VAL A 28 25.033 36.223 -3.701 1.00 0.00 C ATOM 435 CG2 VAL A 28 24.664 35.834 -1.263 1.00 0.00 C ATOM 0 H VAL A 28 27.077 36.205 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 28 25.919 38.625 -2.852 1.00 0.00 H new ATOM 0 HB VAL A 28 23.790 37.429 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 28 24.241 35.510 -3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 28 25.080 36.978 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 28 25.987 35.699 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 28 23.869 35.126 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 28 25.615 35.305 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 28 24.453 36.312 -0.306 1.00 0.00 H new ATOM 445 N HIS A 29 26.026 38.104 0.373 1.00 0.00 N ATOM 446 CA HIS A 29 25.793 38.725 1.672 1.00 0.00 C ATOM 447 C HIS A 29 26.630 39.994 1.819 1.00 0.00 C ATOM 448 O HIS A 29 26.281 40.892 2.586 1.00 0.00 O ATOM 449 CB HIS A 29 26.144 37.746 2.793 1.00 0.00 C ATOM 450 CG HIS A 29 25.886 38.397 4.124 1.00 0.00 C ATOM 451 ND1 HIS A 29 24.604 38.628 4.598 1.00 0.00 N ATOM 452 CD2 HIS A 29 26.736 38.872 5.093 1.00 0.00 C ATOM 453 CE1 HIS A 29 24.718 39.219 5.802 1.00 0.00 C ATOM 454 NE2 HIS A 29 25.995 39.390 6.151 1.00 0.00 N ATOM 0 H HIS A 29 26.581 37.249 0.404 1.00 0.00 H new ATOM 0 HA HIS A 29 24.738 38.990 1.741 1.00 0.00 H new ATOM 0 HB2 HIS A 29 25.548 36.838 2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 29 27.190 37.450 2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 29 27.814 38.847 5.042 1.00 0.00 H new ATOM 0 HE1 HIS A 29 23.878 39.518 6.412 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.351 39.810 7.009 1.00 0.00 H new ATOM 463 N SER A 30 27.727 40.064 1.068 1.00 0.00 N ATOM 464 CA SER A 30 28.598 41.235 1.114 1.00 0.00 C ATOM 465 C SER A 30 28.678 41.907 -0.257 1.00 0.00 C ATOM 466 O SER A 30 29.603 42.671 -0.529 1.00 0.00 O ATOM 467 CB SER A 30 29.999 40.837 1.580 1.00 0.00 C ATOM 468 OG SER A 30 30.802 42.003 1.703 1.00 0.00 O ATOM 0 H SER A 30 28.031 39.332 0.427 1.00 0.00 H new ATOM 0 HA SER A 30 28.174 41.945 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.943 40.318 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.449 40.145 0.868 1.00 0.00 H new ATOM 0 HG SER A 30 30.711 42.550 0.895 1.00 0.00 H new ATOM 474 N SER A 31 27.709 41.610 -1.120 1.00 0.00 N ATOM 475 CA SER A 31 27.684 42.184 -2.461 1.00 0.00 C ATOM 476 C SER A 31 27.589 43.706 -2.409 1.00 0.00 C ATOM 477 O SER A 31 28.277 44.402 -3.156 1.00 0.00 O ATOM 478 CB SER A 31 26.496 41.625 -3.243 1.00 0.00 C ATOM 479 OG SER A 31 26.475 42.203 -4.542 1.00 0.00 O ATOM 0 H SER A 31 26.935 40.978 -0.915 1.00 0.00 H new ATOM 0 HA SER A 31 28.615 41.914 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 31 26.572 40.540 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 31 25.565 41.845 -2.720 1.00 0.00 H new ATOM 0 HG SER A 31 25.715 41.845 -5.047 1.00 0.00 H new ATOM 485 N ASN A 32 26.733 44.220 -1.533 1.00 0.00 N ATOM 486 CA ASN A 32 26.562 45.664 -1.410 1.00 0.00 C ATOM 487 C ASN A 32 27.832 46.319 -0.879 1.00 0.00 C ATOM 488 O ASN A 32 28.223 47.399 -1.327 1.00 0.00 O ATOM 489 CB ASN A 32 25.400 45.968 -0.464 1.00 0.00 C ATOM 490 CG ASN A 32 25.634 45.293 0.883 1.00 0.00 C ATOM 491 OD1 ASN A 32 25.801 44.075 0.948 1.00 0.00 O ATOM 492 ND2 ASN A 32 25.656 46.016 1.970 1.00 0.00 N ATOM 0 H ASN A 32 26.152 43.666 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 32 26.349 46.069 -2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 32 25.303 47.045 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 32 24.465 45.616 -0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 32 25.812 45.572 2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 32 25.517 47.025 1.914 1.00 0.00 H new ATOM 499 N ASN A 33 28.473 45.659 0.078 1.00 0.00 N ATOM 500 CA ASN A 33 29.697 46.194 0.659 1.00 0.00 C ATOM 501 C ASN A 33 30.847 46.076 -0.334 1.00 0.00 C ATOM 502 O ASN A 33 31.760 46.900 -0.344 1.00 0.00 O ATOM 503 CB ASN A 33 30.043 45.450 1.951 1.00 0.00 C ATOM 504 CG ASN A 33 29.009 45.763 3.027 1.00 0.00 C ATOM 505 OD1 ASN A 33 28.321 44.863 3.508 1.00 0.00 O ATOM 506 ND2 ASN A 33 28.857 46.994 3.435 1.00 0.00 N ATOM 0 H ASN A 33 28.171 44.764 0.464 1.00 0.00 H new ATOM 0 HA ASN A 33 29.538 47.247 0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 33 30.073 44.376 1.765 1.00 0.00 H new ATOM 0 HB3 ASN A 33 31.036 45.742 2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 33 28.167 47.211 4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 33 29.428 47.738 3.035 1.00 0.00 H new ATOM 513 N PHE A 34 30.791 45.041 -1.166 1.00 0.00 N ATOM 514 CA PHE A 34 31.831 44.816 -2.162 1.00 0.00 C ATOM 515 C PHE A 34 32.100 46.096 -2.944 1.00 0.00 C ATOM 516 O PHE A 34 33.250 46.487 -3.142 1.00 0.00 O ATOM 517 CB PHE A 34 31.404 43.706 -3.125 1.00 0.00 C ATOM 518 CG PHE A 34 32.501 43.466 -4.135 1.00 0.00 C ATOM 519 CD1 PHE A 34 33.668 42.794 -3.754 1.00 0.00 C ATOM 520 CD2 PHE A 34 32.350 43.915 -5.453 1.00 0.00 C ATOM 521 CE1 PHE A 34 34.685 42.571 -4.690 1.00 0.00 C ATOM 522 CE2 PHE A 34 33.368 43.692 -6.389 1.00 0.00 C ATOM 523 CZ PHE A 34 34.535 43.020 -6.007 1.00 0.00 C ATOM 0 H PHE A 34 30.041 44.349 -1.170 1.00 0.00 H new ATOM 0 HA PHE A 34 32.744 44.515 -1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.197 42.790 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 34 30.482 43.986 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 34 33.784 42.447 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 34 31.449 44.433 -5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 34 35.585 42.052 -4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 34 33.252 44.039 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 34 35.320 42.848 -6.729 1.00 0.00 H new ATOM 533 N GLY A 35 31.028 46.748 -3.381 1.00 0.00 N ATOM 534 CA GLY A 35 31.152 47.989 -4.134 1.00 0.00 C ATOM 535 C GLY A 35 31.824 49.070 -3.295 1.00 0.00 C ATOM 536 O GLY A 35 32.727 49.760 -3.767 1.00 0.00 O ATOM 0 H GLY A 35 30.068 46.439 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 35 31.732 47.813 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 35 30.165 48.328 -4.449 1.00 0.00 H new ATOM 540 N ALA A 36 31.373 49.222 -2.053 1.00 0.00 N ATOM 541 CA ALA A 36 31.941 50.237 -1.171 1.00 0.00 C ATOM 542 C ALA A 36 33.423 49.971 -0.918 1.00 0.00 C ATOM 543 O ALA A 36 34.208 50.904 -0.753 1.00 0.00 O ATOM 544 CB ALA A 36 31.184 50.266 0.158 1.00 0.00 C ATOM 0 H ALA A 36 30.626 48.664 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 36 31.842 51.206 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.617 51.027 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.135 50.500 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 36 31.259 49.292 0.641 1.00 0.00 H new ATOM 550 N ILE A 37 33.802 48.697 -0.891 1.00 0.00 N ATOM 551 CA ILE A 37 35.197 48.336 -0.660 1.00 0.00 C ATOM 552 C ILE A 37 36.082 48.904 -1.766 1.00 0.00 C ATOM 553 O ILE A 37 37.193 49.369 -1.513 1.00 0.00 O ATOM 554 CB ILE A 37 35.349 46.813 -0.610 1.00 0.00 C ATOM 555 CG1 ILE A 37 34.764 46.288 0.706 1.00 0.00 C ATOM 556 CG2 ILE A 37 36.834 46.446 -0.694 1.00 0.00 C ATOM 557 CD1 ILE A 37 34.696 44.759 0.674 1.00 0.00 C ATOM 0 H ILE A 37 33.172 47.906 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 37 35.508 48.757 0.296 1.00 0.00 H new ATOM 0 HB ILE A 37 34.817 46.364 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 37 35.380 46.616 1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 37 33.768 46.702 0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 37 36.943 45.362 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 37 37.249 46.822 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 37 37.367 46.892 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 37 34.279 44.394 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 37 34.062 44.440 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 37 35.699 44.353 0.540 1.00 0.00 H new ATOM 569 N LEU A 38 35.573 48.859 -2.993 1.00 0.00 N ATOM 570 CA LEU A 38 36.312 49.368 -4.143 1.00 0.00 C ATOM 571 C LEU A 38 36.655 50.841 -3.948 1.00 0.00 C ATOM 572 O LEU A 38 37.728 51.296 -4.343 1.00 0.00 O ATOM 573 CB LEU A 38 35.474 49.197 -5.415 1.00 0.00 C ATOM 574 CG LEU A 38 36.250 49.716 -6.631 1.00 0.00 C ATOM 575 CD1 LEU A 38 37.503 48.864 -6.847 1.00 0.00 C ATOM 576 CD2 LEU A 38 35.360 49.632 -7.872 1.00 0.00 C ATOM 0 H LEU A 38 34.654 48.476 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 38 37.239 48.803 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.223 48.146 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.533 49.739 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 38 36.544 50.751 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 38 38.051 49.236 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.138 48.920 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.213 47.828 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 38 35.909 50.000 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 38 35.068 48.595 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.468 50.240 -7.722 1.00 0.00 H new ATOM 588 N SER A 39 35.739 51.581 -3.333 1.00 0.00 N ATOM 589 CA SER A 39 35.959 53.001 -3.089 1.00 0.00 C ATOM 590 C SER A 39 37.174 53.210 -2.188 1.00 0.00 C ATOM 591 O SER A 39 37.783 54.280 -2.192 1.00 0.00 O ATOM 592 CB SER A 39 34.723 53.617 -2.433 1.00 0.00 C ATOM 593 OG SER A 39 33.633 53.567 -3.345 1.00 0.00 O ATOM 0 H SER A 39 34.844 51.225 -2.997 1.00 0.00 H new ATOM 0 HA SER A 39 36.143 53.489 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.474 53.076 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 39 34.925 54.649 -2.146 1.00 0.00 H new ATOM 0 HG SER A 39 32.838 53.960 -2.927 1.00 0.00 H new ATOM 599 N SER A 40 37.523 52.184 -1.418 1.00 0.00 N ATOM 600 CA SER A 40 38.669 52.271 -0.519 1.00 0.00 C ATOM 601 C SER A 40 39.934 51.772 -1.211 1.00 0.00 C ATOM 602 O SER A 40 40.794 51.155 -0.584 1.00 0.00 O ATOM 603 CB SER A 40 38.411 51.438 0.737 1.00 0.00 C ATOM 604 OG SER A 40 37.315 51.995 1.452 1.00 0.00 O ATOM 0 H SER A 40 37.033 51.289 -1.398 1.00 0.00 H new ATOM 0 HA SER A 40 38.809 53.315 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 40 38.195 50.405 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 40 39.301 51.422 1.366 1.00 0.00 H new ATOM 0 HG SER A 40 37.145 51.463 2.257 1.00 0.00 H new ATOM 610 N THR A 41 40.038 52.043 -2.509 1.00 0.00 N ATOM 611 CA THR A 41 41.202 51.616 -3.279 1.00 0.00 C ATOM 612 C THR A 41 42.492 52.141 -2.654 1.00 0.00 C ATOM 613 O THR A 41 43.572 51.602 -2.897 1.00 0.00 O ATOM 614 CB THR A 41 41.087 52.122 -4.718 1.00 0.00 C ATOM 615 OG1 THR A 41 42.143 51.575 -5.496 1.00 0.00 O ATOM 616 CG2 THR A 41 41.178 53.649 -4.733 1.00 0.00 C ATOM 0 H THR A 41 39.336 52.552 -3.046 1.00 0.00 H new ATOM 0 HA THR A 41 41.233 50.526 -3.275 1.00 0.00 H new ATOM 0 HB THR A 41 40.129 51.814 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 41 41.907 50.666 -5.775 1.00 0.00 H new ATOM 0 HG21 THR A 41 41.096 54.008 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 41 40.368 54.068 -4.136 1.00 0.00 H new ATOM 0 HG23 THR A 41 42.135 53.961 -4.315 1.00 0.00 H new ATOM 624 N ASN A 42 42.377 53.195 -1.849 1.00 0.00 N ATOM 625 CA ASN A 42 43.547 53.777 -1.201 1.00 0.00 C ATOM 626 C ASN A 42 43.817 53.105 0.144 1.00 0.00 C ATOM 627 O ASN A 42 44.523 53.656 0.990 1.00 0.00 O ATOM 628 CB ASN A 42 43.333 55.277 -0.988 1.00 0.00 C ATOM 629 CG ASN A 42 42.260 55.505 0.071 1.00 0.00 C ATOM 630 OD1 ASN A 42 41.286 54.756 0.140 1.00 0.00 O ATOM 631 ND2 ASN A 42 42.382 56.500 0.907 1.00 0.00 N ATOM 0 H ASN A 42 41.495 53.659 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 42 44.409 53.618 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 42 44.267 55.746 -0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 42 43.036 55.747 -1.926 1.00 0.00 H new ATOM 0 HD21 ASN A 42 41.669 56.658 1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 42 43.190 57.120 0.848 1.00 0.00 H new ATOM 638 N VAL A 43 43.256 51.915 0.339 1.00 0.00 N ATOM 639 CA VAL A 43 43.450 51.185 1.587 1.00 0.00 C ATOM 640 C VAL A 43 44.681 50.281 1.500 1.00 0.00 C ATOM 641 O VAL A 43 44.826 49.339 2.278 1.00 0.00 O ATOM 642 CB VAL A 43 42.205 50.345 1.892 1.00 0.00 C ATOM 643 CG1 VAL A 43 42.208 49.079 1.027 1.00 0.00 C ATOM 644 CG2 VAL A 43 42.196 49.956 3.375 1.00 0.00 C ATOM 0 H VAL A 43 42.668 51.439 -0.345 1.00 0.00 H new ATOM 0 HA VAL A 43 43.608 51.904 2.390 1.00 0.00 H new ATOM 0 HB VAL A 43 41.314 50.931 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 43 41.321 48.485 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 43 42.205 49.358 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 43 43.100 48.492 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 43 41.310 49.359 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 43 43.089 49.375 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 43 42.183 50.858 3.988 1.00 0.00 H new ATOM 654 N GLY A 44 45.569 50.576 0.553 1.00 0.00 N ATOM 655 CA GLY A 44 46.780 49.781 0.383 1.00 0.00 C ATOM 656 C GLY A 44 46.665 48.847 -0.820 1.00 0.00 C ATOM 657 O GLY A 44 47.671 48.351 -1.327 1.00 0.00 O ATOM 0 H GLY A 44 45.473 51.352 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 44 47.637 50.442 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 44 46.963 49.196 1.284 1.00 0.00 H new ATOM 661 N SER A 45 45.436 48.611 -1.274 1.00 0.00 N ATOM 662 CA SER A 45 45.212 47.735 -2.419 1.00 0.00 C ATOM 663 C SER A 45 45.121 48.548 -3.707 1.00 0.00 C ATOM 664 O SER A 45 44.493 48.124 -4.677 1.00 0.00 O ATOM 665 CB SER A 45 43.922 46.939 -2.222 1.00 0.00 C ATOM 666 OG SER A 45 42.826 47.839 -2.121 1.00 0.00 O ATOM 0 H SER A 45 44.588 49.010 -0.871 1.00 0.00 H new ATOM 0 HA SER A 45 46.054 47.047 -2.497 1.00 0.00 H new ATOM 0 HB2 SER A 45 43.771 46.256 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 45 43.991 46.329 -1.321 1.00 0.00 H new ATOM 0 HG SER A 45 41.997 47.332 -1.996 1.00 0.00 H new ATOM 672 N ASN A 46 45.749 49.719 -3.707 1.00 0.00 N ATOM 673 CA ASN A 46 45.731 50.586 -4.881 1.00 0.00 C ATOM 674 C ASN A 46 46.412 49.914 -6.072 1.00 0.00 C ATOM 675 O ASN A 46 46.238 50.340 -7.214 1.00 0.00 O ATOM 676 CB ASN A 46 46.442 51.903 -4.565 1.00 0.00 C ATOM 677 CG ASN A 46 47.910 51.638 -4.249 1.00 0.00 C ATOM 678 OD1 ASN A 46 48.239 50.636 -3.614 1.00 0.00 O ATOM 679 ND2 ASN A 46 48.819 52.481 -4.658 1.00 0.00 N ATOM 0 H ASN A 46 46.273 50.088 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 46 44.691 50.781 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.361 52.583 -5.413 1.00 0.00 H new ATOM 0 HB3 ASN A 46 45.961 52.392 -3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 46 49.803 52.310 -4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 46 48.545 53.311 -5.184 1.00 0.00 H new ATOM 686 N THR A 47 47.189 48.866 -5.805 1.00 0.00 N ATOM 687 CA THR A 47 47.886 48.155 -6.872 1.00 0.00 C ATOM 688 C THR A 47 47.038 47.000 -7.398 1.00 0.00 C ATOM 689 O THR A 47 47.568 45.999 -7.880 1.00 0.00 O ATOM 690 CB THR A 47 49.221 47.615 -6.354 1.00 0.00 C ATOM 691 OG1 THR A 47 49.759 48.521 -5.402 1.00 0.00 O ATOM 692 CG2 THR A 47 50.197 47.457 -7.520 1.00 0.00 C ATOM 0 H THR A 47 47.350 48.494 -4.869 1.00 0.00 H new ATOM 0 HA THR A 47 48.067 48.855 -7.688 1.00 0.00 H new ATOM 0 HB THR A 47 49.063 46.645 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 47 50.613 48.176 -5.068 1.00 0.00 H new ATOM 0 HG21 THR A 47 51.147 47.072 -7.150 1.00 0.00 H new ATOM 0 HG22 THR A 47 49.783 46.760 -8.249 1.00 0.00 H new ATOM 0 HG23 THR A 47 50.358 48.425 -7.994 1.00 0.00 H new ATOM 700 N TYR A 48 45.720 47.146 -7.304 1.00 0.00 N ATOM 701 CA TYR A 48 44.811 46.106 -7.775 1.00 0.00 C ATOM 702 C TYR A 48 44.405 46.354 -9.228 1.00 0.00 C ATOM 703 O TYR A 48 43.420 45.792 -9.707 1.00 0.00 O ATOM 704 CB TYR A 48 43.561 46.068 -6.891 1.00 0.00 C ATOM 705 CG TYR A 48 42.584 47.127 -7.345 1.00 0.00 C ATOM 706 CD1 TYR A 48 41.396 46.755 -7.986 1.00 0.00 C ATOM 707 CD2 TYR A 48 42.865 48.482 -7.126 1.00 0.00 C ATOM 708 CE1 TYR A 48 40.491 47.735 -8.408 1.00 0.00 C ATOM 709 CE2 TYR A 48 41.959 49.462 -7.548 1.00 0.00 C ATOM 710 CZ TYR A 48 40.772 49.089 -8.189 1.00 0.00 C ATOM 711 OH TYR A 48 39.879 50.055 -8.605 1.00 0.00 O ATOM 0 H TYR A 48 45.260 47.967 -6.910 1.00 0.00 H new ATOM 0 HA TYR A 48 45.328 45.148 -7.718 1.00 0.00 H new ATOM 0 HB2 TYR A 48 43.096 45.084 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 48 43.835 46.235 -5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 48 41.178 45.711 -8.155 1.00 0.00 H new ATOM 0 HD2 TYR A 48 43.781 48.770 -6.632 1.00 0.00 H new ATOM 0 HE1 TYR A 48 39.575 47.447 -8.903 1.00 0.00 H new ATOM 0 HE2 TYR A 48 42.176 50.506 -7.379 1.00 0.00 H new ATOM 0 HH TYR A 48 40.226 50.942 -8.375 1.00 0.00 H new ATOM 721 N GLY A 49 45.166 47.193 -9.927 1.00 0.00 N ATOM 722 CA GLY A 49 44.865 47.497 -11.321 1.00 0.00 C ATOM 723 C GLY A 49 44.682 46.218 -12.132 1.00 0.00 C ATOM 724 O GLY A 49 45.655 45.559 -12.498 1.00 0.00 O ATOM 0 H GLY A 49 45.987 47.670 -9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 49 43.959 48.101 -11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 49 45.672 48.091 -11.750 1.00 0.00 H new ATOM 728 N LYS A 50 43.428 45.875 -12.409 1.00 0.00 N ATOM 729 CA LYS A 50 43.126 44.674 -13.179 1.00 0.00 C ATOM 730 C LYS A 50 43.567 44.840 -14.630 1.00 0.00 C ATOM 731 O LYS A 50 44.041 43.893 -15.257 1.00 0.00 O ATOM 732 CB LYS A 50 41.624 44.386 -13.129 1.00 0.00 C ATOM 733 CG LYS A 50 41.238 43.943 -11.717 1.00 0.00 C ATOM 734 CD LYS A 50 39.787 43.456 -11.710 1.00 0.00 C ATOM 735 CE LYS A 50 38.845 44.644 -11.908 1.00 0.00 C ATOM 736 NZ LYS A 50 39.045 45.626 -10.804 1.00 0.00 N ATOM 0 H LYS A 50 42.610 46.408 -12.114 1.00 0.00 H new ATOM 0 HA LYS A 50 43.671 43.838 -12.741 1.00 0.00 H new ATOM 0 HB2 LYS A 50 41.062 45.277 -13.409 1.00 0.00 H new ATOM 0 HB3 LYS A 50 41.367 43.609 -13.849 1.00 0.00 H new ATOM 0 HG2 LYS A 50 41.901 43.146 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 50 41.357 44.772 -11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 50 39.635 42.723 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 50 39.565 42.957 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 50 39.038 45.118 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 50 37.810 44.303 -11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 38.120 45.955 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 39.563 45.172 -10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 39.592 46.438 -11.156 1.00 0.00 H new ATOM 750 N ARG A 51 43.402 46.048 -15.158 1.00 0.00 N ATOM 751 CA ARG A 51 43.781 46.328 -16.539 1.00 0.00 C ATOM 752 C ARG A 51 45.228 45.918 -16.802 1.00 0.00 C ATOM 753 O ARG A 51 45.614 45.677 -17.946 1.00 0.00 O ATOM 754 CB ARG A 51 43.609 47.820 -16.838 1.00 0.00 C ATOM 755 CG ARG A 51 44.664 48.626 -16.076 1.00 0.00 C ATOM 756 CD ARG A 51 44.393 50.120 -16.257 1.00 0.00 C ATOM 757 NE ARG A 51 45.429 50.906 -15.593 1.00 0.00 N ATOM 758 CZ ARG A 51 45.411 51.126 -14.277 1.00 0.00 C ATOM 759 NH1 ARG A 51 44.456 50.635 -13.527 1.00 0.00 N ATOM 760 NH2 ARG A 51 46.356 51.840 -13.729 1.00 0.00 N ATOM 0 H ARG A 51 43.011 46.845 -14.655 1.00 0.00 H new ATOM 0 HA ARG A 51 43.131 45.747 -17.193 1.00 0.00 H new ATOM 0 HB2 ARG A 51 43.705 47.999 -17.909 1.00 0.00 H new ATOM 0 HB3 ARG A 51 42.610 48.146 -16.548 1.00 0.00 H new ATOM 0 HG2 ARG A 51 44.641 48.367 -15.018 1.00 0.00 H new ATOM 0 HG3 ARG A 51 45.660 48.379 -16.443 1.00 0.00 H new ATOM 0 HD2 ARG A 51 44.365 50.366 -17.319 1.00 0.00 H new ATOM 0 HD3 ARG A 51 43.416 50.372 -15.845 1.00 0.00 H new ATOM 0 HE ARG A 51 46.188 51.298 -16.151 1.00 0.00 H new ATOM 0 HH11 ARG A 51 43.713 50.076 -13.948 1.00 0.00 H new ATOM 0 HH12 ARG A 51 44.455 50.811 -12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 51 47.103 52.226 -14.306 1.00 0.00 H new ATOM 0 HH22 ARG A 51 46.348 52.012 -12.724 1.00 0.00 H new ATOM 774 N ASN A 52 46.024 45.841 -15.741 1.00 0.00 N ATOM 775 CA ASN A 52 47.426 45.459 -15.878 1.00 0.00 C ATOM 776 C ASN A 52 47.554 44.153 -16.656 1.00 0.00 C ATOM 777 O ASN A 52 48.584 43.887 -17.276 1.00 0.00 O ATOM 778 CB ASN A 52 48.061 45.298 -14.496 1.00 0.00 C ATOM 779 CG ASN A 52 49.531 45.701 -14.548 1.00 0.00 C ATOM 780 OD1 ASN A 52 49.982 46.514 -13.741 1.00 0.00 O ATOM 781 ND2 ASN A 52 50.310 45.178 -15.455 1.00 0.00 N ATOM 0 H ASN A 52 45.727 46.036 -14.785 1.00 0.00 H new ATOM 0 HA ASN A 52 47.945 46.246 -16.426 1.00 0.00 H new ATOM 0 HB2 ASN A 52 47.532 45.914 -13.769 1.00 0.00 H new ATOM 0 HB3 ASN A 52 47.970 44.264 -14.163 1.00 0.00 H new ATOM 0 HD21 ASN A 52 51.294 45.443 -15.496 1.00 0.00 H new ATOM 0 HD22 ASN A 52 49.935 44.505 -16.123 1.00 0.00 H new ATOM 788 N ALA A 53 46.502 43.341 -16.620 1.00 0.00 N ATOM 789 CA ALA A 53 46.506 42.065 -17.327 1.00 0.00 C ATOM 790 C ALA A 53 46.539 42.283 -18.837 1.00 0.00 C ATOM 791 O ALA A 53 47.246 41.580 -19.558 1.00 0.00 O ATOM 792 CB ALA A 53 45.260 41.260 -16.956 1.00 0.00 C ATOM 0 H ALA A 53 45.641 43.542 -16.112 1.00 0.00 H new ATOM 0 HA ALA A 53 47.399 41.514 -17.033 1.00 0.00 H new ATOM 0 HB1 ALA A 53 45.270 40.309 -17.488 1.00 0.00 H new ATOM 0 HB2 ALA A 53 45.253 41.075 -15.882 1.00 0.00 H new ATOM 0 HB3 ALA A 53 44.368 41.822 -17.234 1.00 0.00 H new ATOM 798 N VAL A 54 45.766 43.255 -19.311 1.00 0.00 N ATOM 799 CA VAL A 54 45.716 43.545 -20.739 1.00 0.00 C ATOM 800 C VAL A 54 46.977 44.278 -21.188 1.00 0.00 C ATOM 801 O VAL A 54 47.348 44.231 -22.361 1.00 0.00 O ATOM 802 CB VAL A 54 44.483 44.397 -21.055 1.00 0.00 C ATOM 803 CG1 VAL A 54 44.865 45.881 -21.073 1.00 0.00 C ATOM 804 CG2 VAL A 54 43.926 43.997 -22.424 1.00 0.00 C ATOM 0 H VAL A 54 45.171 43.850 -18.734 1.00 0.00 H new ATOM 0 HA VAL A 54 45.653 42.600 -21.279 1.00 0.00 H new ATOM 0 HB VAL A 54 43.726 44.232 -20.288 1.00 0.00 H new ATOM 0 HG11 VAL A 54 43.983 46.481 -21.298 1.00 0.00 H new ATOM 0 HG12 VAL A 54 45.259 46.167 -20.098 1.00 0.00 H new ATOM 0 HG13 VAL A 54 45.625 46.052 -21.836 1.00 0.00 H new ATOM 0 HG21 VAL A 54 43.048 44.602 -22.651 1.00 0.00 H new ATOM 0 HG22 VAL A 54 44.686 44.160 -23.188 1.00 0.00 H new ATOM 0 HG23 VAL A 54 43.646 42.944 -22.409 1.00 0.00 H new ATOM 814 N GLU A 55 47.632 44.958 -20.251 1.00 0.00 N ATOM 815 CA GLU A 55 48.846 45.697 -20.573 1.00 0.00 C ATOM 816 C GLU A 55 50.017 44.741 -20.778 1.00 0.00 C ATOM 817 O GLU A 55 50.647 44.734 -21.835 1.00 0.00 O ATOM 818 CB GLU A 55 49.173 46.681 -19.448 1.00 0.00 C ATOM 819 CG GLU A 55 50.114 47.767 -19.975 1.00 0.00 C ATOM 820 CD GLU A 55 51.544 47.239 -20.037 1.00 0.00 C ATOM 821 OE1 GLU A 55 51.854 46.331 -19.283 1.00 0.00 O ATOM 822 OE2 GLU A 55 52.309 47.752 -20.837 1.00 0.00 O ATOM 0 H GLU A 55 47.346 45.012 -19.274 1.00 0.00 H new ATOM 0 HA GLU A 55 48.679 46.249 -21.498 1.00 0.00 H new ATOM 0 HB2 GLU A 55 48.257 47.132 -19.068 1.00 0.00 H new ATOM 0 HB3 GLU A 55 49.639 46.155 -18.615 1.00 0.00 H new ATOM 0 HG2 GLU A 55 49.793 48.087 -20.966 1.00 0.00 H new ATOM 0 HG3 GLU A 55 50.069 48.643 -19.328 1.00 0.00 H new ATOM 829 N VAL A 56 50.304 43.935 -19.759 1.00 0.00 N ATOM 830 CA VAL A 56 51.403 42.980 -19.842 1.00 0.00 C ATOM 831 C VAL A 56 51.305 42.162 -21.127 1.00 0.00 C ATOM 832 O VAL A 56 52.321 41.761 -21.696 1.00 0.00 O ATOM 833 CB VAL A 56 51.383 42.046 -18.629 1.00 0.00 C ATOM 834 CG1 VAL A 56 50.047 41.305 -18.570 1.00 0.00 C ATOM 835 CG2 VAL A 56 52.522 41.031 -18.751 1.00 0.00 C ATOM 0 H VAL A 56 49.796 43.924 -18.875 1.00 0.00 H new ATOM 0 HA VAL A 56 52.341 43.535 -19.850 1.00 0.00 H new ATOM 0 HB VAL A 56 51.510 42.633 -17.719 1.00 0.00 H new ATOM 0 HG11 VAL A 56 50.037 40.641 -17.705 1.00 0.00 H new ATOM 0 HG12 VAL A 56 49.234 42.026 -18.483 1.00 0.00 H new ATOM 0 HG13 VAL A 56 49.916 40.718 -19.479 1.00 0.00 H new ATOM 0 HG21 VAL A 56 52.510 40.365 -17.888 1.00 0.00 H new ATOM 0 HG22 VAL A 56 52.393 40.447 -19.662 1.00 0.00 H new ATOM 0 HG23 VAL A 56 53.476 41.557 -18.789 1.00 0.00 H new ATOM 845 N LEU A 57 50.080 41.923 -21.584 1.00 0.00 N ATOM 846 CA LEU A 57 49.872 41.159 -22.809 1.00 0.00 C ATOM 847 C LEU A 57 50.297 41.982 -24.020 1.00 0.00 C ATOM 848 O LEU A 57 50.922 41.467 -24.947 1.00 0.00 O ATOM 849 CB LEU A 57 48.399 40.765 -22.945 1.00 0.00 C ATOM 850 CG LEU A 57 48.248 39.264 -22.694 1.00 0.00 C ATOM 851 CD1 LEU A 57 48.343 38.982 -21.194 1.00 0.00 C ATOM 852 CD2 LEU A 57 46.886 38.797 -23.214 1.00 0.00 C ATOM 0 H LEU A 57 49.224 42.243 -21.130 1.00 0.00 H new ATOM 0 HA LEU A 57 50.479 40.255 -22.760 1.00 0.00 H new ATOM 0 HB2 LEU A 57 47.794 41.326 -22.233 1.00 0.00 H new ATOM 0 HB3 LEU A 57 48.035 41.017 -23.941 1.00 0.00 H new ATOM 0 HG LEU A 57 49.042 38.728 -23.214 1.00 0.00 H new ATOM 0 HD11 LEU A 57 48.235 37.912 -21.017 1.00 0.00 H new ATOM 0 HD12 LEU A 57 49.312 39.315 -20.822 1.00 0.00 H new ATOM 0 HD13 LEU A 57 47.550 39.518 -20.672 1.00 0.00 H new ATOM 0 HD21 LEU A 57 46.776 37.727 -23.036 1.00 0.00 H new ATOM 0 HD22 LEU A 57 46.094 39.335 -22.693 1.00 0.00 H new ATOM 0 HD23 LEU A 57 46.817 38.996 -24.283 1.00 0.00 H new ATOM 864 N LYS A 58 49.960 43.268 -23.998 1.00 0.00 N ATOM 865 CA LYS A 58 50.318 44.163 -25.092 1.00 0.00 C ATOM 866 C LYS A 58 51.832 44.324 -25.176 1.00 0.00 C ATOM 867 O LYS A 58 52.404 44.336 -26.266 1.00 0.00 O ATOM 868 CB LYS A 58 49.671 45.533 -24.878 1.00 0.00 C ATOM 869 CG LYS A 58 48.162 45.433 -25.113 1.00 0.00 C ATOM 870 CD LYS A 58 47.880 45.382 -26.616 1.00 0.00 C ATOM 871 CE LYS A 58 46.372 45.474 -26.856 1.00 0.00 C ATOM 872 NZ LYS A 58 45.708 44.253 -26.319 1.00 0.00 N ATOM 0 H LYS A 58 49.442 43.711 -23.239 1.00 0.00 H new ATOM 0 HA LYS A 58 49.956 43.731 -26.025 1.00 0.00 H new ATOM 0 HB2 LYS A 58 49.869 45.885 -23.866 1.00 0.00 H new ATOM 0 HB3 LYS A 58 50.107 46.263 -25.560 1.00 0.00 H new ATOM 0 HG2 LYS A 58 47.766 44.541 -24.628 1.00 0.00 H new ATOM 0 HG3 LYS A 58 47.656 46.289 -24.667 1.00 0.00 H new ATOM 0 HD2 LYS A 58 48.390 46.203 -27.120 1.00 0.00 H new ATOM 0 HD3 LYS A 58 48.270 44.456 -27.039 1.00 0.00 H new ATOM 0 HE2 LYS A 58 45.969 46.363 -26.371 1.00 0.00 H new ATOM 0 HE3 LYS A 58 46.168 45.573 -27.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 44.725 44.216 -26.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 46.219 43.408 -26.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 45.716 44.282 -25.279 1.00 0.00 H new ATOM 886 N ARG A 59 52.476 44.448 -24.020 1.00 0.00 N ATOM 887 CA ARG A 59 53.925 44.609 -23.977 1.00 0.00 C ATOM 888 C ARG A 59 54.622 43.344 -24.467 1.00 0.00 C ATOM 889 O ARG A 59 55.658 43.413 -25.129 1.00 0.00 O ATOM 890 CB ARG A 59 54.374 44.922 -22.548 1.00 0.00 C ATOM 891 CG ARG A 59 55.841 45.355 -22.557 1.00 0.00 C ATOM 892 CD ARG A 59 56.726 44.171 -22.165 1.00 0.00 C ATOM 893 NE ARG A 59 58.127 44.581 -22.115 1.00 0.00 N ATOM 894 CZ ARG A 59 59.100 43.722 -21.805 1.00 0.00 C ATOM 895 NH1 ARG A 59 58.827 42.471 -21.532 1.00 0.00 N ATOM 896 NH2 ARG A 59 60.337 44.134 -21.775 1.00 0.00 N ATOM 0 H ARG A 59 52.022 44.440 -23.107 1.00 0.00 H new ATOM 0 HA ARG A 59 54.198 45.436 -24.633 1.00 0.00 H new ATOM 0 HB2 ARG A 59 53.753 45.712 -22.125 1.00 0.00 H new ATOM 0 HB3 ARG A 59 54.247 44.044 -21.915 1.00 0.00 H new ATOM 0 HG2 ARG A 59 56.118 45.717 -23.547 1.00 0.00 H new ATOM 0 HG3 ARG A 59 55.992 46.181 -21.862 1.00 0.00 H new ATOM 0 HD2 ARG A 59 56.418 43.784 -21.194 1.00 0.00 H new ATOM 0 HD3 ARG A 59 56.602 43.362 -22.884 1.00 0.00 H new ATOM 0 HE ARG A 59 58.368 45.550 -22.323 1.00 0.00 H new ATOM 0 HH11 ARG A 59 57.861 42.143 -21.555 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.580 41.824 -21.297 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.556 45.107 -21.988 1.00 0.00 H new ATOM 0 HH22 ARG A 59 61.086 43.483 -21.539 1.00 0.00 H new ATOM 910 N GLU A 60 54.052 42.189 -24.136 1.00 0.00 N ATOM 911 CA GLU A 60 54.634 40.917 -24.546 1.00 0.00 C ATOM 912 C GLU A 60 53.663 40.138 -25.430 1.00 0.00 C ATOM 913 O GLU A 60 53.057 39.161 -24.991 1.00 0.00 O ATOM 914 CB GLU A 60 54.982 40.082 -23.312 1.00 0.00 C ATOM 915 CG GLU A 60 55.800 38.861 -23.734 1.00 0.00 C ATOM 916 CD GLU A 60 56.156 38.023 -22.511 1.00 0.00 C ATOM 917 OE1 GLU A 60 55.786 38.420 -21.418 1.00 0.00 O ATOM 918 OE2 GLU A 60 56.793 36.997 -22.684 1.00 0.00 O ATOM 0 H GLU A 60 53.195 42.108 -23.589 1.00 0.00 H new ATOM 0 HA GLU A 60 55.540 41.123 -25.116 1.00 0.00 H new ATOM 0 HB2 GLU A 60 55.548 40.684 -22.601 1.00 0.00 H new ATOM 0 HB3 GLU A 60 54.070 39.765 -22.806 1.00 0.00 H new ATOM 0 HG2 GLU A 60 55.232 38.260 -24.444 1.00 0.00 H new ATOM 0 HG3 GLU A 60 56.709 39.181 -24.243 1.00 0.00 H new ATOM 925 N PRO A 61 53.512 40.552 -26.660 1.00 0.00 N ATOM 926 CA PRO A 61 52.599 39.880 -27.631 1.00 0.00 C ATOM 927 C PRO A 61 53.135 38.522 -28.090 1.00 0.00 C ATOM 928 O PRO A 61 52.460 37.795 -28.819 1.00 0.00 O ATOM 929 CB PRO A 61 52.529 40.862 -28.802 1.00 0.00 C ATOM 930 CG PRO A 61 53.796 41.649 -28.735 1.00 0.00 C ATOM 931 CD PRO A 61 54.196 41.708 -27.261 1.00 0.00 C ATOM 0 HA PRO A 61 51.626 39.663 -27.190 1.00 0.00 H new ATOM 0 HB2 PRO A 61 52.444 40.335 -29.752 1.00 0.00 H new ATOM 0 HB3 PRO A 61 51.658 41.512 -28.718 1.00 0.00 H new ATOM 0 HG2 PRO A 61 54.578 41.176 -29.330 1.00 0.00 H new ATOM 0 HG3 PRO A 61 53.651 42.652 -29.138 1.00 0.00 H new ATOM 0 HD2 PRO A 61 55.277 41.641 -27.138 1.00 0.00 H new ATOM 0 HD3 PRO A 61 53.880 42.643 -26.799 1.00 0.00 H new ATOM 939 N LEU A 62 54.349 38.186 -27.659 1.00 0.00 N ATOM 940 CA LEU A 62 54.958 36.917 -28.034 1.00 0.00 C ATOM 941 C LEU A 62 54.065 35.756 -27.613 1.00 0.00 C ATOM 942 O LEU A 62 53.897 34.788 -28.354 1.00 0.00 O ATOM 943 CB LEU A 62 56.328 36.780 -27.365 1.00 0.00 C ATOM 944 CG LEU A 62 57.012 35.497 -27.845 1.00 0.00 C ATOM 945 CD1 LEU A 62 57.381 35.634 -29.324 1.00 0.00 C ATOM 946 CD2 LEU A 62 58.280 35.262 -27.021 1.00 0.00 C ATOM 0 H LEU A 62 54.925 38.772 -27.054 1.00 0.00 H new ATOM 0 HA LEU A 62 55.080 36.895 -29.117 1.00 0.00 H new ATOM 0 HB2 LEU A 62 56.948 37.645 -27.603 1.00 0.00 H new ATOM 0 HB3 LEU A 62 56.213 36.759 -26.281 1.00 0.00 H new ATOM 0 HG LEU A 62 56.333 34.653 -27.720 1.00 0.00 H new ATOM 0 HD11 LEU A 62 57.868 34.720 -29.664 1.00 0.00 H new ATOM 0 HD12 LEU A 62 56.478 35.804 -29.910 1.00 0.00 H new ATOM 0 HD13 LEU A 62 58.061 36.476 -29.453 1.00 0.00 H new ATOM 0 HD21 LEU A 62 58.770 34.349 -27.360 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.958 36.106 -27.148 1.00 0.00 H new ATOM 0 HD23 LEU A 62 58.016 35.163 -25.968 1.00 0.00 H new ATOM 958 N ASN A 63 53.495 35.859 -26.416 1.00 0.00 N ATOM 959 CA ASN A 63 52.621 34.811 -25.903 1.00 0.00 C ATOM 960 C ASN A 63 51.425 34.609 -26.828 1.00 0.00 C ATOM 961 O ASN A 63 50.877 33.511 -26.918 1.00 0.00 O ATOM 962 CB ASN A 63 52.130 35.184 -24.503 1.00 0.00 C ATOM 963 CG ASN A 63 51.076 36.282 -24.595 1.00 0.00 C ATOM 964 OD1 ASN A 63 51.227 37.226 -25.371 1.00 0.00 O ATOM 965 ND2 ASN A 63 50.011 36.214 -23.845 1.00 0.00 N ATOM 0 H ASN A 63 53.622 36.652 -25.787 1.00 0.00 H new ATOM 0 HA ASN A 63 53.187 33.881 -25.855 1.00 0.00 H new ATOM 0 HB2 ASN A 63 51.711 34.307 -24.010 1.00 0.00 H new ATOM 0 HB3 ASN A 63 52.968 35.523 -23.893 1.00 0.00 H new ATOM 0 HD21 ASN A 63 49.301 36.944 -23.900 1.00 0.00 H new ATOM 0 HD22 ASN A 63 49.888 35.431 -23.203 1.00 0.00 H new ATOM 972 N TYR A 64 51.026 35.675 -27.513 1.00 0.00 N ATOM 973 CA TYR A 64 49.894 35.602 -28.430 1.00 0.00 C ATOM 974 C TYR A 64 50.290 34.869 -29.707 1.00 0.00 C ATOM 975 O TYR A 64 49.512 34.089 -30.257 1.00 0.00 O ATOM 976 CB TYR A 64 49.412 37.012 -28.776 1.00 0.00 C ATOM 977 CG TYR A 64 48.159 36.926 -29.615 1.00 0.00 C ATOM 978 CD1 TYR A 64 46.924 36.680 -29.004 1.00 0.00 C ATOM 979 CD2 TYR A 64 48.233 37.093 -31.003 1.00 0.00 C ATOM 980 CE1 TYR A 64 45.762 36.601 -29.781 1.00 0.00 C ATOM 981 CE2 TYR A 64 47.071 37.013 -31.780 1.00 0.00 C ATOM 982 CZ TYR A 64 45.836 36.768 -31.169 1.00 0.00 C ATOM 983 OH TYR A 64 44.691 36.690 -31.935 1.00 0.00 O ATOM 0 H TYR A 64 51.466 36.593 -27.452 1.00 0.00 H new ATOM 0 HA TYR A 64 49.088 35.053 -27.943 1.00 0.00 H new ATOM 0 HB2 TYR A 64 49.213 37.574 -27.863 1.00 0.00 H new ATOM 0 HB3 TYR A 64 50.189 37.550 -29.319 1.00 0.00 H new ATOM 0 HD1 TYR A 64 46.867 36.551 -27.933 1.00 0.00 H new ATOM 0 HD2 TYR A 64 49.186 37.283 -31.474 1.00 0.00 H new ATOM 0 HE1 TYR A 64 44.809 36.411 -29.310 1.00 0.00 H new ATOM 0 HE2 TYR A 64 47.128 37.140 -32.851 1.00 0.00 H new ATOM 0 HH TYR A 64 44.918 36.830 -32.878 1.00 0.00 H new ATOM 993 N LEU A 65 51.508 35.129 -30.170 1.00 0.00 N ATOM 994 CA LEU A 65 52.009 34.494 -31.384 1.00 0.00 C ATOM 995 C LEU A 65 52.296 33.013 -31.129 1.00 0.00 C ATOM 996 O LEU A 65 52.478 32.602 -29.983 1.00 0.00 O ATOM 997 CB LEU A 65 53.288 35.196 -31.844 1.00 0.00 C ATOM 998 CG LEU A 65 52.974 36.650 -32.204 1.00 0.00 C ATOM 999 CD1 LEU A 65 54.281 37.413 -32.430 1.00 0.00 C ATOM 1000 CD2 LEU A 65 52.133 36.691 -33.483 1.00 0.00 C ATOM 0 H LEU A 65 52.164 35.772 -29.726 1.00 0.00 H new ATOM 0 HA LEU A 65 51.251 34.576 -32.162 1.00 0.00 H new ATOM 0 HB2 LEU A 65 54.039 35.160 -31.055 1.00 0.00 H new ATOM 0 HB3 LEU A 65 53.708 34.680 -32.707 1.00 0.00 H new ATOM 0 HG LEU A 65 52.418 37.113 -31.389 1.00 0.00 H new ATOM 0 HD11 LEU A 65 54.058 38.449 -32.686 1.00 0.00 H new ATOM 0 HD12 LEU A 65 54.880 37.385 -31.520 1.00 0.00 H new ATOM 0 HD13 LEU A 65 54.837 36.949 -33.245 1.00 0.00 H new ATOM 0 HD21 LEU A 65 51.910 37.727 -33.739 1.00 0.00 H new ATOM 0 HD22 LEU A 65 52.688 36.227 -34.299 1.00 0.00 H new ATOM 0 HD23 LEU A 65 51.202 36.148 -33.324 1.00 0.00 H new ATOM 1012 N PRO A 66 52.339 32.208 -32.163 1.00 0.00 N ATOM 1013 CA PRO A 66 52.611 30.746 -32.028 1.00 0.00 C ATOM 1014 C PRO A 66 53.882 30.468 -31.230 1.00 0.00 C ATOM 1015 O PRO A 66 54.889 31.158 -31.387 1.00 0.00 O ATOM 1016 CB PRO A 66 52.761 30.263 -33.473 1.00 0.00 C ATOM 1017 CG PRO A 66 52.026 31.260 -34.302 1.00 0.00 C ATOM 1018 CD PRO A 66 52.135 32.596 -33.570 1.00 0.00 C ATOM 0 HA PRO A 66 51.816 30.235 -31.485 1.00 0.00 H new ATOM 0 HB2 PRO A 66 53.811 30.209 -33.762 1.00 0.00 H new ATOM 0 HB3 PRO A 66 52.344 29.264 -33.599 1.00 0.00 H new ATOM 0 HG2 PRO A 66 52.458 31.328 -35.300 1.00 0.00 H new ATOM 0 HG3 PRO A 66 50.983 30.969 -34.425 1.00 0.00 H new ATOM 0 HD2 PRO A 66 52.967 33.192 -33.946 1.00 0.00 H new ATOM 0 HD3 PRO A 66 51.233 33.195 -33.693 1.00 0.00 H new