USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 543 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 CYS SG : rot 151:sc= -3.03! USER MOD Set 1.2: A 52 CYS SG : rot 136:sc= 0.413 USER MOD Set 1.3: A 62 CYS SG : rot -154:sc= 0.385 USER MOD Set 1.4: A 65 CYS SG : rot 147:sc=-0.00614 USER MOD Set 2.1: A 10 CYS SG : rot 158:sc= 0.925 USER MOD Set 2.2: A 13 CYS SG : rot -43:sc= 2.13 USER MOD Set 2.3: A 27 CYS SG : rot -129:sc= 2.07 USER MOD Set 2.4: A 30 CYS SG : rot 78:sc= 0.526 USER MOD Set 2.5: A 56 GLN : amide:sc= -3.1! X(o=2.5!,f=2.9) USER MOD Set 3.1: A 18 SER OG : rot 69:sc= 0.813 USER MOD Set 3.2: A 21 HIS : no HE2:sc= 0.289 K(o=1.1,f=-8.6!) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0381) USER MOD Single : A 17 SER OG : rot 53:sc= 0.623 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -151:sc= 0.464 USER MOD Single : A 24 GLN : amide:sc= -2.24! K(o=-2.2!,f=-1.1) USER MOD Single : A 26 THR OG1 : rot -136:sc= 0.174 USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.46!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -97:sc= 0.199 USER MOD Single : A 41 ASN : amide:sc= -1.85! C(o=-1.8!,f=-4.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 44 TYR OH : rot -30:sc= -1.12 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 63 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.44) USER MOD Single : A 64 TYR OH : rot 30:sc= -0.538 USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.468) USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -0.0709 (180deg=-0.693) USER MOD Single : A 70 CYS SG : rot 94:sc= -0.0113 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -136:sc= -6.57! (180deg=-11.7!) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.784 15.340 2.879 1.00 0.00 N ATOM 67 CA ILE A 8 -6.388 14.183 3.672 1.00 0.00 C ATOM 68 C ILE A 8 -5.193 13.471 3.047 1.00 0.00 C ATOM 69 O ILE A 8 -5.045 13.443 1.826 1.00 0.00 O ATOM 70 CB ILE A 8 -7.547 13.181 3.823 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.864 13.923 4.060 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.266 12.213 4.963 1.00 0.00 C ATOM 73 CD1 ILE A 8 -10.090 13.061 3.851 1.00 0.00 C ATOM 0 HA ILE A 8 -6.110 14.556 4.658 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.635 12.609 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.874 14.313 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.914 14.781 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.095 11.511 5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.347 11.664 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.155 12.769 5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.987 13.653 4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.105 12.692 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.063 12.217 4.540 1.00 0.00 H new ATOM 85 N GLU A 9 -4.346 12.894 3.894 1.00 0.00 N ATOM 86 CA GLU A 9 -3.164 12.180 3.423 1.00 0.00 C ATOM 87 C GLU A 9 -3.294 10.682 3.684 1.00 0.00 C ATOM 88 O GLU A 9 -4.205 10.239 4.383 1.00 0.00 O ATOM 89 CB GLU A 9 -1.908 12.722 4.108 1.00 0.00 C ATOM 90 CG GLU A 9 -2.113 13.062 5.575 1.00 0.00 C ATOM 91 CD GLU A 9 -0.820 13.032 6.367 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.128 14.070 6.415 1.00 0.00 O ATOM 93 OE2 GLU A 9 -0.500 11.968 6.939 1.00 0.00 O ATOM 0 H GLU A 9 -4.456 12.907 4.908 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.079 12.338 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.111 11.984 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.573 13.615 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.561 14.052 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.819 12.356 6.012 1.00 0.00 H new ATOM 100 N CYS A 10 -2.376 9.908 3.116 1.00 0.00 N ATOM 101 CA CYS A 10 -2.386 8.459 3.285 1.00 0.00 C ATOM 102 C CYS A 10 -1.766 8.063 4.622 1.00 0.00 C ATOM 103 O CYS A 10 -0.636 8.441 4.930 1.00 0.00 O ATOM 104 CB CYS A 10 -1.628 7.786 2.139 1.00 0.00 C ATOM 105 SG CYS A 10 -1.656 5.965 2.198 1.00 0.00 S ATOM 0 H CYS A 10 -1.615 10.259 2.534 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.423 8.124 3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.056 8.115 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.592 8.124 2.155 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.424 5.489 1.011 1.00 0.00 H new ATOM 110 N VAL A 11 -2.514 7.299 5.411 1.00 0.00 N ATOM 111 CA VAL A 11 -2.038 6.850 6.714 1.00 0.00 C ATOM 112 C VAL A 11 -1.010 5.734 6.569 1.00 0.00 C ATOM 113 O VAL A 11 -0.593 5.126 7.555 1.00 0.00 O ATOM 114 CB VAL A 11 -3.199 6.351 7.595 1.00 0.00 C ATOM 115 CG1 VAL A 11 -4.092 7.511 8.009 1.00 0.00 C ATOM 116 CG2 VAL A 11 -4.002 5.285 6.864 1.00 0.00 C ATOM 0 H VAL A 11 -3.452 6.978 5.171 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.571 7.711 7.193 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.781 5.905 8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.906 7.139 8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.507 8.237 8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.503 7.989 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.818 4.944 7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.410 5.704 5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.354 4.443 6.623 1.00 0.00 H new ATOM 126 N VAL A 12 -0.603 5.469 5.331 1.00 0.00 N ATOM 127 CA VAL A 12 0.379 4.427 5.056 1.00 0.00 C ATOM 128 C VAL A 12 1.678 5.022 4.524 1.00 0.00 C ATOM 129 O VAL A 12 2.757 4.759 5.054 1.00 0.00 O ATOM 130 CB VAL A 12 -0.159 3.404 4.038 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.888 2.341 3.745 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.445 2.771 4.548 1.00 0.00 C ATOM 0 H VAL A 12 -0.938 5.962 4.503 1.00 0.00 H new ATOM 0 HA VAL A 12 0.575 3.920 6.001 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.382 3.926 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.490 1.627 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.780 2.813 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.145 1.820 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.811 2.051 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.251 2.262 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.196 3.546 4.702 1.00 0.00 H new ATOM 142 N CYS A 13 1.566 5.827 3.472 1.00 0.00 N ATOM 143 CA CYS A 13 2.731 6.461 2.866 1.00 0.00 C ATOM 144 C CYS A 13 2.686 7.974 3.055 1.00 0.00 C ATOM 145 O CYS A 13 3.698 8.659 2.909 1.00 0.00 O ATOM 146 CB CYS A 13 2.804 6.124 1.376 1.00 0.00 C ATOM 147 SG CYS A 13 1.344 6.653 0.422 1.00 0.00 S ATOM 0 H CYS A 13 0.680 6.056 3.022 1.00 0.00 H new ATOM 0 HA CYS A 13 3.622 6.077 3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.692 6.593 0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.928 5.047 1.264 1.00 0.00 H new ATOM 0 HG CYS A 13 0.264 6.367 1.087 1.00 0.00 H new ATOM 152 N GLY A 14 1.505 8.490 3.382 1.00 0.00 N ATOM 153 CA GLY A 14 1.350 9.918 3.587 1.00 0.00 C ATOM 154 C GLY A 14 0.854 10.631 2.344 1.00 0.00 C ATOM 155 O GLY A 14 0.593 11.834 2.373 1.00 0.00 O ATOM 0 H GLY A 14 0.653 7.944 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.651 10.091 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.306 10.345 3.890 1.00 0.00 H new ATOM 159 N ASP A 15 0.724 9.888 1.250 1.00 0.00 N ATOM 160 CA ASP A 15 0.256 10.457 -0.008 1.00 0.00 C ATOM 161 C ASP A 15 -1.199 10.900 0.103 1.00 0.00 C ATOM 162 O ASP A 15 -2.022 10.220 0.717 1.00 0.00 O ATOM 163 CB ASP A 15 0.406 9.438 -1.140 1.00 0.00 C ATOM 164 CG ASP A 15 0.111 10.037 -2.501 1.00 0.00 C ATOM 165 OD1 ASP A 15 1.026 10.650 -3.090 1.00 0.00 O ATOM 166 OD2 ASP A 15 -1.034 9.892 -2.977 1.00 0.00 O ATOM 0 H ASP A 15 0.936 8.891 1.209 1.00 0.00 H new ATOM 0 HA ASP A 15 0.867 11.331 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.420 9.039 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.267 8.599 -0.962 1.00 0.00 H new ATOM 171 N LYS A 16 -1.511 12.046 -0.493 1.00 0.00 N ATOM 172 CA LYS A 16 -2.866 12.582 -0.462 1.00 0.00 C ATOM 173 C LYS A 16 -3.895 11.472 -0.656 1.00 0.00 C ATOM 174 O LYS A 16 -4.049 10.941 -1.756 1.00 0.00 O ATOM 175 CB LYS A 16 -3.041 13.648 -1.545 1.00 0.00 C ATOM 176 CG LYS A 16 -4.484 14.071 -1.756 1.00 0.00 C ATOM 177 CD LYS A 16 -4.878 15.197 -0.814 1.00 0.00 C ATOM 178 CE LYS A 16 -6.350 15.553 -0.956 1.00 0.00 C ATOM 179 NZ LYS A 16 -6.649 16.155 -2.285 1.00 0.00 N ATOM 0 H LYS A 16 -0.842 12.622 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.027 13.037 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.450 14.524 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.642 13.267 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.623 14.393 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.142 13.216 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.672 14.901 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.268 16.076 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.955 14.657 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.632 16.252 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.638 16.477 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.018 16.965 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.500 15.444 -3.029 1.00 0.00 H new ATOM 193 N SER A 17 -4.597 11.128 0.419 1.00 0.00 N ATOM 194 CA SER A 17 -5.609 10.079 0.367 1.00 0.00 C ATOM 195 C SER A 17 -6.716 10.441 -0.619 1.00 0.00 C ATOM 196 O SER A 17 -7.027 11.616 -0.816 1.00 0.00 O ATOM 197 CB SER A 17 -6.205 9.847 1.757 1.00 0.00 C ATOM 198 OG SER A 17 -7.438 9.154 1.674 1.00 0.00 O ATOM 0 H SER A 17 -4.484 11.560 1.336 1.00 0.00 H new ATOM 0 HA SER A 17 -5.129 9.161 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.504 9.276 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.355 10.804 2.256 1.00 0.00 H new ATOM 0 HG SER A 17 -7.318 8.335 1.150 1.00 0.00 H new ATOM 204 N SER A 18 -7.307 9.423 -1.236 1.00 0.00 N ATOM 205 CA SER A 18 -8.377 9.632 -2.204 1.00 0.00 C ATOM 206 C SER A 18 -9.740 9.369 -1.573 1.00 0.00 C ATOM 207 O SER A 18 -10.740 9.206 -2.272 1.00 0.00 O ATOM 208 CB SER A 18 -8.180 8.722 -3.418 1.00 0.00 C ATOM 209 OG SER A 18 -8.225 7.356 -3.044 1.00 0.00 O ATOM 0 H SER A 18 -7.063 8.445 -1.083 1.00 0.00 H new ATOM 0 HA SER A 18 -8.341 10.672 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.954 8.925 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.222 8.942 -3.890 1.00 0.00 H new ATOM 0 HG SER A 18 -9.137 7.121 -2.773 1.00 0.00 H new ATOM 215 N GLY A 19 -9.773 9.329 -0.244 1.00 0.00 N ATOM 216 CA GLY A 19 -11.018 9.086 0.460 1.00 0.00 C ATOM 217 C GLY A 19 -10.889 7.996 1.506 1.00 0.00 C ATOM 218 O GLY A 19 -9.859 7.326 1.592 1.00 0.00 O ATOM 0 H GLY A 19 -8.959 9.461 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.347 10.008 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.789 8.807 -0.258 1.00 0.00 H new ATOM 222 N LYS A 20 -11.935 7.818 2.305 1.00 0.00 N ATOM 223 CA LYS A 20 -11.935 6.802 3.351 1.00 0.00 C ATOM 224 C LYS A 20 -12.088 5.406 2.754 1.00 0.00 C ATOM 225 O LYS A 20 -13.165 4.811 2.808 1.00 0.00 O ATOM 226 CB LYS A 20 -13.065 7.068 4.348 1.00 0.00 C ATOM 227 CG LYS A 20 -13.085 6.099 5.518 1.00 0.00 C ATOM 228 CD LYS A 20 -13.706 6.728 6.753 1.00 0.00 C ATOM 229 CE LYS A 20 -12.680 7.519 7.551 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.226 7.974 8.860 1.00 0.00 N ATOM 0 H LYS A 20 -12.794 8.364 2.248 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.979 6.852 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.969 8.084 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.020 7.013 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.646 5.206 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.068 5.779 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.523 7.385 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.136 5.949 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.798 6.902 7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.358 8.384 6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.497 8.509 9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.053 8.584 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.510 7.148 9.424 1.00 0.00 H new ATOM 244 N HIS A 21 -11.003 4.888 2.187 1.00 0.00 N ATOM 245 CA HIS A 21 -11.016 3.561 1.582 1.00 0.00 C ATOM 246 C HIS A 21 -10.792 2.481 2.636 1.00 0.00 C ATOM 247 O HIS A 21 -9.753 2.450 3.296 1.00 0.00 O ATOM 248 CB HIS A 21 -9.943 3.461 0.497 1.00 0.00 C ATOM 249 CG HIS A 21 -10.160 4.402 -0.648 1.00 0.00 C ATOM 250 ND1 HIS A 21 -10.916 4.079 -1.755 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.716 5.664 -0.853 1.00 0.00 C ATOM 252 CE1 HIS A 21 -10.926 5.101 -2.592 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.205 6.076 -2.068 1.00 0.00 N ATOM 0 H HIS A 21 -10.104 5.367 2.134 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.995 3.405 1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.968 3.662 0.942 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.916 2.440 0.117 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -11.393 3.190 -1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.093 6.240 -0.185 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.437 5.134 -3.543 1.00 0.00 H new ATOM 261 N TYR A 22 -11.774 1.599 2.790 1.00 0.00 N ATOM 262 CA TYR A 22 -11.685 0.520 3.767 1.00 0.00 C ATOM 263 C TYR A 22 -11.777 1.064 5.189 1.00 0.00 C ATOM 264 O TYR A 22 -11.066 0.612 6.086 1.00 0.00 O ATOM 265 CB TYR A 22 -10.377 -0.252 3.587 1.00 0.00 C ATOM 266 CG TYR A 22 -10.085 -0.624 2.151 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.782 -1.649 1.523 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.113 0.050 1.422 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.518 -1.992 0.211 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.843 -0.286 0.110 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.548 -1.308 -0.491 1.00 0.00 C ATOM 272 OH TYR A 22 -9.283 -1.646 -1.799 1.00 0.00 O ATOM 0 H TYR A 22 -12.640 1.610 2.251 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.524 -0.156 3.602 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.554 0.350 3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.416 -1.161 4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.543 -2.186 2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.559 0.851 1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.068 -2.792 -0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.084 0.248 -0.442 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.345 -1.451 -2.003 1.00 0.00 H new ATOM 282 N GLY A 23 -12.660 2.038 5.388 1.00 0.00 N ATOM 283 CA GLY A 23 -12.831 2.628 6.703 1.00 0.00 C ATOM 284 C GLY A 23 -11.608 3.399 7.155 1.00 0.00 C ATOM 285 O GLY A 23 -11.469 3.718 8.336 1.00 0.00 O ATOM 0 H GLY A 23 -13.260 2.429 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.693 3.295 6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.048 1.841 7.425 1.00 0.00 H new ATOM 289 N GLN A 24 -10.718 3.699 6.215 1.00 0.00 N ATOM 290 CA GLN A 24 -9.498 4.436 6.524 1.00 0.00 C ATOM 291 C GLN A 24 -9.099 5.341 5.363 1.00 0.00 C ATOM 292 O GLN A 24 -9.350 5.023 4.201 1.00 0.00 O ATOM 293 CB GLN A 24 -8.359 3.467 6.847 1.00 0.00 C ATOM 294 CG GLN A 24 -7.321 4.043 7.795 1.00 0.00 C ATOM 295 CD GLN A 24 -7.924 4.520 9.102 1.00 0.00 C ATOM 296 OE1 GLN A 24 -7.926 5.715 9.398 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.442 3.586 9.891 1.00 0.00 N ATOM 0 H GLN A 24 -10.819 3.443 5.233 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.692 5.060 7.396 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.777 2.561 7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.868 3.174 5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.565 3.286 8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.813 4.876 7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.419 2.607 9.606 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.863 3.848 10.782 1.00 0.00 H new ATOM 306 N PHE A 25 -8.476 6.469 5.686 1.00 0.00 N ATOM 307 CA PHE A 25 -8.043 7.421 4.669 1.00 0.00 C ATOM 308 C PHE A 25 -6.696 7.013 4.081 1.00 0.00 C ATOM 309 O PHE A 25 -5.653 7.174 4.716 1.00 0.00 O ATOM 310 CB PHE A 25 -7.948 8.827 5.265 1.00 0.00 C ATOM 311 CG PHE A 25 -9.285 9.459 5.528 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.197 9.634 4.500 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.629 9.879 6.802 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.429 10.214 4.738 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.859 10.460 7.047 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.759 10.629 6.014 1.00 0.00 C ATOM 0 H PHE A 25 -8.259 6.747 6.643 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.783 7.422 3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.388 8.780 6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.382 9.464 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.942 9.313 3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.928 9.751 7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.132 10.343 3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.116 10.781 8.046 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.720 11.085 6.203 1.00 0.00 H new ATOM 326 N THR A 26 -6.725 6.483 2.862 1.00 0.00 N ATOM 327 CA THR A 26 -5.508 6.050 2.188 1.00 0.00 C ATOM 328 C THR A 26 -5.522 6.450 0.717 1.00 0.00 C ATOM 329 O THR A 26 -6.585 6.613 0.117 1.00 0.00 O ATOM 330 CB THR A 26 -5.321 4.524 2.291 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.542 3.857 1.956 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.888 4.126 3.695 1.00 0.00 C ATOM 0 H THR A 26 -7.579 6.343 2.322 1.00 0.00 H new ATOM 0 HA THR A 26 -4.676 6.545 2.689 1.00 0.00 H new ATOM 0 HB THR A 26 -4.542 4.227 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.706 3.133 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.762 3.044 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.943 4.613 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.649 4.436 4.412 1.00 0.00 H new ATOM 340 N CYS A 27 -4.336 6.607 0.139 1.00 0.00 N ATOM 341 CA CYS A 27 -4.211 6.987 -1.262 1.00 0.00 C ATOM 342 C CYS A 27 -4.617 5.836 -2.177 1.00 0.00 C ATOM 343 O CYS A 27 -4.872 4.724 -1.715 1.00 0.00 O ATOM 344 CB CYS A 27 -2.775 7.416 -1.570 1.00 0.00 C ATOM 345 SG CYS A 27 -1.568 6.052 -1.531 1.00 0.00 S ATOM 0 H CYS A 27 -3.446 6.477 0.621 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.881 7.827 -1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.749 7.882 -2.555 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.472 8.176 -0.850 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.564 6.382 -0.774 1.00 0.00 H new ATOM 350 N GLU A 28 -4.675 6.111 -3.476 1.00 0.00 N ATOM 351 CA GLU A 28 -5.050 5.098 -4.455 1.00 0.00 C ATOM 352 C GLU A 28 -3.963 4.035 -4.583 1.00 0.00 C ATOM 353 O GLU A 28 -4.246 2.873 -4.871 1.00 0.00 O ATOM 354 CB GLU A 28 -5.309 5.744 -5.818 1.00 0.00 C ATOM 355 CG GLU A 28 -6.679 6.391 -5.934 1.00 0.00 C ATOM 356 CD GLU A 28 -6.978 6.874 -7.340 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.796 6.085 -8.291 1.00 0.00 O ATOM 358 OE2 GLU A 28 -7.396 8.042 -7.489 1.00 0.00 O ATOM 0 H GLU A 28 -4.467 7.027 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.965 4.618 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.544 6.497 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.207 4.986 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.442 5.675 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.739 7.233 -5.244 1.00 0.00 H new ATOM 365 N GLY A 29 -2.716 4.443 -4.366 1.00 0.00 N ATOM 366 CA GLY A 29 -1.604 3.515 -4.462 1.00 0.00 C ATOM 367 C GLY A 29 -1.692 2.398 -3.441 1.00 0.00 C ATOM 368 O GLY A 29 -1.483 1.229 -3.769 1.00 0.00 O ATOM 0 H GLY A 29 -2.456 5.400 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.578 3.086 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.669 4.057 -4.323 1.00 0.00 H new ATOM 372 N CYS A 30 -2.001 2.756 -2.199 1.00 0.00 N ATOM 373 CA CYS A 30 -2.114 1.776 -1.126 1.00 0.00 C ATOM 374 C CYS A 30 -3.497 1.132 -1.120 1.00 0.00 C ATOM 375 O CYS A 30 -3.638 -0.062 -0.854 1.00 0.00 O ATOM 376 CB CYS A 30 -1.841 2.436 0.227 1.00 0.00 C ATOM 377 SG CYS A 30 -0.226 3.272 0.334 1.00 0.00 S ATOM 0 H CYS A 30 -2.178 3.718 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.371 0.998 -1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.628 3.162 0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.898 1.677 1.007 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.290 4.418 -0.276 1.00 0.00 H new ATOM 382 N LYS A 31 -4.517 1.932 -1.416 1.00 0.00 N ATOM 383 CA LYS A 31 -5.890 1.442 -1.448 1.00 0.00 C ATOM 384 C LYS A 31 -5.976 0.111 -2.188 1.00 0.00 C ATOM 385 O LYS A 31 -6.468 -0.880 -1.648 1.00 0.00 O ATOM 386 CB LYS A 31 -6.804 2.470 -2.117 1.00 0.00 C ATOM 387 CG LYS A 31 -8.182 1.928 -2.457 1.00 0.00 C ATOM 388 CD LYS A 31 -8.782 2.644 -3.655 1.00 0.00 C ATOM 389 CE LYS A 31 -8.108 2.223 -4.952 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.444 3.141 -6.076 1.00 0.00 N ATOM 0 H LYS A 31 -4.418 2.923 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.218 1.287 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.914 3.330 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.328 2.828 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.113 0.861 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.841 2.041 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.849 2.429 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.681 3.721 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.027 2.203 -4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.414 1.209 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.823 2.590 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.157 3.829 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.587 3.646 -6.380 1.00 0.00 H new ATOM 404 N SER A 32 -5.493 0.096 -3.426 1.00 0.00 N ATOM 405 CA SER A 32 -5.518 -1.113 -4.241 1.00 0.00 C ATOM 406 C SER A 32 -4.510 -2.137 -3.726 1.00 0.00 C ATOM 407 O SER A 32 -4.806 -3.329 -3.644 1.00 0.00 O ATOM 408 CB SER A 32 -5.217 -0.775 -5.703 1.00 0.00 C ATOM 409 OG SER A 32 -5.389 -1.909 -6.535 1.00 0.00 O ATOM 0 H SER A 32 -5.080 0.907 -3.887 1.00 0.00 H new ATOM 0 HA SER A 32 -6.516 -1.546 -4.174 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.875 0.028 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.195 -0.407 -5.791 1.00 0.00 H new ATOM 0 HG SER A 32 -5.192 -1.666 -7.464 1.00 0.00 H new ATOM 415 N PHE A 33 -3.318 -1.661 -3.381 1.00 0.00 N ATOM 416 CA PHE A 33 -2.265 -2.534 -2.874 1.00 0.00 C ATOM 417 C PHE A 33 -2.769 -3.370 -1.701 1.00 0.00 C ATOM 418 O PHE A 33 -2.377 -4.525 -1.534 1.00 0.00 O ATOM 419 CB PHE A 33 -1.052 -1.707 -2.443 1.00 0.00 C ATOM 420 CG PHE A 33 0.041 -2.527 -1.820 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.786 -3.409 -2.587 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.325 -2.416 -0.468 1.00 0.00 C ATOM 423 CE1 PHE A 33 1.792 -4.165 -2.016 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.330 -3.169 0.108 1.00 0.00 C ATOM 425 CZ PHE A 33 2.066 -4.044 -0.667 1.00 0.00 C ATOM 0 H PHE A 33 -3.057 -0.677 -3.443 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.969 -3.209 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.652 -1.183 -3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.375 -0.946 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.578 -3.506 -3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.246 -1.733 0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.364 -4.850 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.540 -3.074 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.854 -4.632 -0.220 1.00 0.00 H new ATOM 435 N PHE A 34 -3.639 -2.777 -0.890 1.00 0.00 N ATOM 436 CA PHE A 34 -4.195 -3.465 0.268 1.00 0.00 C ATOM 437 C PHE A 34 -5.157 -4.568 -0.164 1.00 0.00 C ATOM 438 O PHE A 34 -5.091 -5.695 0.329 1.00 0.00 O ATOM 439 CB PHE A 34 -4.918 -2.471 1.180 1.00 0.00 C ATOM 440 CG PHE A 34 -5.598 -3.118 2.353 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.871 -3.865 3.266 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.964 -2.981 2.542 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.493 -4.461 4.347 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.591 -3.574 3.621 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.855 -4.316 4.524 1.00 0.00 C ATOM 0 H PHE A 34 -3.974 -1.822 -1.014 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.372 -3.920 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.200 -1.737 1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.660 -1.927 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.806 -3.983 3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.545 -2.404 1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.915 -5.039 5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.656 -3.457 3.758 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.344 -4.782 5.367 1.00 0.00 H new ATOM 455 N LYS A 35 -6.051 -4.236 -1.089 1.00 0.00 N ATOM 456 CA LYS A 35 -7.027 -5.197 -1.590 1.00 0.00 C ATOM 457 C LYS A 35 -6.338 -6.333 -2.338 1.00 0.00 C ATOM 458 O LYS A 35 -6.335 -7.477 -1.882 1.00 0.00 O ATOM 459 CB LYS A 35 -8.031 -4.501 -2.512 1.00 0.00 C ATOM 460 CG LYS A 35 -8.633 -5.420 -3.560 1.00 0.00 C ATOM 461 CD LYS A 35 -9.380 -4.637 -4.627 1.00 0.00 C ATOM 462 CE LYS A 35 -10.850 -4.475 -4.273 1.00 0.00 C ATOM 463 NZ LYS A 35 -11.549 -3.556 -5.213 1.00 0.00 N ATOM 0 H LYS A 35 -6.120 -3.308 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.557 -5.617 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.834 -4.078 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.536 -3.669 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.843 -6.009 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.314 -6.123 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.923 -3.655 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.290 -5.149 -5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.337 -5.450 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.939 -4.091 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.548 -3.472 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.101 -2.618 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.487 -3.935 -6.180 1.00 0.00 H new ATOM 477 N ARG A 36 -5.753 -6.011 -3.486 1.00 0.00 N ATOM 478 CA ARG A 36 -5.059 -7.005 -4.297 1.00 0.00 C ATOM 479 C ARG A 36 -4.367 -8.039 -3.413 1.00 0.00 C ATOM 480 O ARG A 36 -4.238 -9.204 -3.789 1.00 0.00 O ATOM 481 CB ARG A 36 -4.033 -6.327 -5.207 1.00 0.00 C ATOM 482 CG ARG A 36 -2.781 -5.869 -4.477 1.00 0.00 C ATOM 483 CD ARG A 36 -1.588 -5.788 -5.417 1.00 0.00 C ATOM 484 NE ARG A 36 -0.963 -7.092 -5.622 1.00 0.00 N ATOM 485 CZ ARG A 36 0.279 -7.250 -6.064 1.00 0.00 C ATOM 486 NH1 ARG A 36 1.026 -6.192 -6.345 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.777 -8.470 -6.225 1.00 0.00 N ATOM 0 H ARG A 36 -5.745 -5.069 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.799 -7.515 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.749 -7.020 -5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.499 -5.467 -5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.958 -4.892 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.559 -6.560 -3.664 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.910 -5.385 -6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.853 -5.094 -5.011 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.511 -7.927 -5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.647 -5.253 -6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.980 -6.317 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.205 -9.287 -6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.731 -8.591 -6.565 1.00 0.00 H new ATOM 501 N SER A 37 -3.923 -7.604 -2.238 1.00 0.00 N ATOM 502 CA SER A 37 -3.241 -8.491 -1.303 1.00 0.00 C ATOM 503 C SER A 37 -4.237 -9.157 -0.360 1.00 0.00 C ATOM 504 O SER A 37 -4.134 -10.350 -0.071 1.00 0.00 O ATOM 505 CB SER A 37 -2.200 -7.712 -0.496 1.00 0.00 C ATOM 506 OG SER A 37 -2.780 -6.574 0.120 1.00 0.00 O ATOM 0 H SER A 37 -4.023 -6.643 -1.911 1.00 0.00 H new ATOM 0 HA SER A 37 -2.738 -9.268 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.766 -8.360 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.386 -7.400 -1.151 1.00 0.00 H new ATOM 0 HG SER A 37 -2.613 -5.782 -0.433 1.00 0.00 H new ATOM 512 N VAL A 38 -5.203 -8.379 0.117 1.00 0.00 N ATOM 513 CA VAL A 38 -6.221 -8.892 1.026 1.00 0.00 C ATOM 514 C VAL A 38 -7.179 -9.833 0.305 1.00 0.00 C ATOM 515 O VAL A 38 -7.336 -10.992 0.691 1.00 0.00 O ATOM 516 CB VAL A 38 -7.028 -7.749 1.669 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.301 -8.286 2.305 1.00 0.00 C ATOM 518 CG2 VAL A 38 -6.181 -7.010 2.694 1.00 0.00 C ATOM 0 H VAL A 38 -5.302 -7.390 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.697 -9.441 1.808 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.310 -7.043 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.858 -7.464 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.914 -8.766 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.044 -9.014 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.767 -6.206 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.866 -7.703 3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.302 -6.591 2.205 1.00 0.00 H new ATOM 528 N ARG A 39 -7.817 -9.328 -0.746 1.00 0.00 N ATOM 529 CA ARG A 39 -8.760 -10.123 -1.522 1.00 0.00 C ATOM 530 C ARG A 39 -8.116 -11.422 -1.997 1.00 0.00 C ATOM 531 O ARG A 39 -8.780 -12.452 -2.107 1.00 0.00 O ATOM 532 CB ARG A 39 -9.267 -9.323 -2.724 1.00 0.00 C ATOM 533 CG ARG A 39 -8.181 -8.988 -3.733 1.00 0.00 C ATOM 534 CD ARG A 39 -8.686 -9.124 -5.161 1.00 0.00 C ATOM 535 NE ARG A 39 -9.632 -8.067 -5.510 1.00 0.00 N ATOM 536 CZ ARG A 39 -10.615 -8.222 -6.390 1.00 0.00 C ATOM 537 NH1 ARG A 39 -10.781 -9.385 -7.006 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.435 -7.213 -6.654 1.00 0.00 N ATOM 0 H ARG A 39 -7.698 -8.371 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.603 -10.371 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.052 -9.891 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.720 -8.397 -2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.829 -7.970 -3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.327 -9.649 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.841 -9.096 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.165 -10.095 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.532 -7.161 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.153 -10.163 -6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.537 -9.501 -7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.311 -6.318 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.190 -7.332 -7.330 1.00 0.00 H new ATOM 552 N ARG A 40 -6.818 -11.364 -2.277 1.00 0.00 N ATOM 553 CA ARG A 40 -6.084 -12.535 -2.742 1.00 0.00 C ATOM 554 C ARG A 40 -5.488 -13.304 -1.567 1.00 0.00 C ATOM 555 O ARG A 40 -5.140 -14.478 -1.693 1.00 0.00 O ATOM 556 CB ARG A 40 -4.973 -12.116 -3.707 1.00 0.00 C ATOM 557 CG ARG A 40 -5.489 -11.556 -5.023 1.00 0.00 C ATOM 558 CD ARG A 40 -4.524 -11.838 -6.164 1.00 0.00 C ATOM 559 NE ARG A 40 -4.794 -13.122 -6.805 1.00 0.00 N ATOM 560 CZ ARG A 40 -4.033 -13.640 -7.763 1.00 0.00 C ATOM 561 NH1 ARG A 40 -2.961 -12.985 -8.189 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.343 -14.814 -8.297 1.00 0.00 N ATOM 0 H ARG A 40 -6.253 -10.519 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.783 -13.188 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.347 -11.366 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.338 -12.978 -3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.461 -11.994 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.638 -10.480 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.595 -11.041 -6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.502 -11.830 -5.785 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.612 -13.650 -6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.720 -12.082 -7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.378 -13.385 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.167 -15.320 -7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.758 -15.210 -9.032 1.00 0.00 H new ATOM 576 N ASN A 41 -5.372 -12.634 -0.425 1.00 0.00 N ATOM 577 CA ASN A 41 -4.817 -13.255 0.773 1.00 0.00 C ATOM 578 C ASN A 41 -3.323 -13.519 0.606 1.00 0.00 C ATOM 579 O ASN A 41 -2.808 -14.542 1.058 1.00 0.00 O ATOM 580 CB ASN A 41 -5.546 -14.565 1.078 1.00 0.00 C ATOM 581 CG ASN A 41 -7.042 -14.461 0.848 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.511 -14.519 -0.289 1.00 0.00 O ATOM 583 ND2 ASN A 41 -7.798 -14.307 1.928 1.00 0.00 N ATOM 0 H ASN A 41 -5.655 -11.661 -0.304 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.956 -12.567 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.139 -15.359 0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.359 -14.849 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.811 -14.232 1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.366 -14.264 2.851 1.00 0.00 H new ATOM 590 N LEU A 42 -2.633 -12.589 -0.045 1.00 0.00 N ATOM 591 CA LEU A 42 -1.198 -12.719 -0.271 1.00 0.00 C ATOM 592 C LEU A 42 -0.420 -12.497 1.023 1.00 0.00 C ATOM 593 O LEU A 42 -0.972 -12.030 2.020 1.00 0.00 O ATOM 594 CB LEU A 42 -0.736 -11.722 -1.335 1.00 0.00 C ATOM 595 CG LEU A 42 -1.621 -11.608 -2.577 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.042 -10.596 -3.553 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.780 -12.966 -3.245 1.00 0.00 C ATOM 0 H LEU A 42 -3.044 -11.737 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.001 -13.732 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.663 -10.737 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.269 -12.000 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.607 -11.261 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.685 -10.528 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.981 -9.620 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.045 -10.914 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.413 -12.866 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.801 -13.342 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.240 -13.664 -2.546 1.00 0.00 H new ATOM 609 N THR A 43 0.866 -12.832 0.999 1.00 0.00 N ATOM 610 CA THR A 43 1.720 -12.668 2.169 1.00 0.00 C ATOM 611 C THR A 43 3.173 -12.451 1.762 1.00 0.00 C ATOM 612 O THR A 43 3.828 -13.362 1.255 1.00 0.00 O ATOM 613 CB THR A 43 1.637 -13.891 3.101 1.00 0.00 C ATOM 614 OG1 THR A 43 0.286 -14.083 3.537 1.00 0.00 O ATOM 615 CG2 THR A 43 2.544 -13.713 4.309 1.00 0.00 C ATOM 0 H THR A 43 1.339 -13.219 0.182 1.00 0.00 H new ATOM 0 HA THR A 43 1.360 -11.789 2.703 1.00 0.00 H new ATOM 0 HB THR A 43 1.967 -14.768 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.241 -14.863 4.128 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.469 -14.589 4.953 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.575 -13.595 3.976 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.239 -12.827 4.865 1.00 0.00 H new ATOM 623 N TYR A 44 3.672 -11.241 1.989 1.00 0.00 N ATOM 624 CA TYR A 44 5.048 -10.905 1.644 1.00 0.00 C ATOM 625 C TYR A 44 5.949 -10.969 2.874 1.00 0.00 C ATOM 626 O TYR A 44 5.480 -10.875 4.009 1.00 0.00 O ATOM 627 CB TYR A 44 5.114 -9.508 1.023 1.00 0.00 C ATOM 628 CG TYR A 44 3.904 -9.161 0.186 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.701 -9.752 -1.056 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.965 -8.241 0.634 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.598 -9.437 -1.825 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.858 -7.921 -0.127 1.00 0.00 C ATOM 633 CZ TYR A 44 1.679 -8.521 -1.356 1.00 0.00 C ATOM 634 OH TYR A 44 0.578 -8.204 -2.119 1.00 0.00 O ATOM 0 H TYR A 44 3.144 -10.477 2.410 1.00 0.00 H new ATOM 0 HA TYR A 44 5.402 -11.636 0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.219 -8.770 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.007 -9.437 0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.418 -10.470 -1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.103 -7.767 1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.456 -9.905 -2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.137 -7.205 0.238 1.00 0.00 H new ATOM 0 HH TYR A 44 0.802 -8.293 -3.069 1.00 0.00 H new ATOM 644 N THR A 45 7.248 -11.131 2.640 1.00 0.00 N ATOM 645 CA THR A 45 8.216 -11.209 3.727 1.00 0.00 C ATOM 646 C THR A 45 9.153 -10.006 3.716 1.00 0.00 C ATOM 647 O THR A 45 9.584 -9.552 2.656 1.00 0.00 O ATOM 648 CB THR A 45 9.054 -12.499 3.641 1.00 0.00 C ATOM 649 OG1 THR A 45 9.628 -12.796 4.919 1.00 0.00 O ATOM 650 CG2 THR A 45 10.157 -12.359 2.604 1.00 0.00 C ATOM 0 H THR A 45 7.654 -11.211 1.707 1.00 0.00 H new ATOM 0 HA THR A 45 7.648 -11.215 4.657 1.00 0.00 H new ATOM 0 HB THR A 45 8.396 -13.314 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.158 -13.618 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.735 -13.282 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.715 -12.162 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.812 -11.533 2.879 1.00 0.00 H new ATOM 658 N CYS A 46 9.465 -9.495 4.902 1.00 0.00 N ATOM 659 CA CYS A 46 10.352 -8.345 5.030 1.00 0.00 C ATOM 660 C CYS A 46 11.729 -8.772 5.529 1.00 0.00 C ATOM 661 O CYS A 46 11.940 -8.944 6.730 1.00 0.00 O ATOM 662 CB CYS A 46 9.748 -7.314 5.986 1.00 0.00 C ATOM 663 SG CYS A 46 10.905 -5.998 6.486 1.00 0.00 S ATOM 0 H CYS A 46 9.117 -9.859 5.789 1.00 0.00 H new ATOM 0 HA CYS A 46 10.467 -7.894 4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.879 -6.858 5.511 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.390 -7.827 6.879 1.00 0.00 H new ATOM 0 HG CYS A 46 10.241 -4.910 6.740 1.00 0.00 H new ATOM 668 N ARG A 47 12.663 -8.942 4.598 1.00 0.00 N ATOM 669 CA ARG A 47 14.019 -9.350 4.943 1.00 0.00 C ATOM 670 C ARG A 47 14.601 -8.445 6.024 1.00 0.00 C ATOM 671 O ARG A 47 15.594 -8.786 6.666 1.00 0.00 O ATOM 672 CB ARG A 47 14.914 -9.322 3.702 1.00 0.00 C ATOM 673 CG ARG A 47 16.215 -10.089 3.872 1.00 0.00 C ATOM 674 CD ARG A 47 16.033 -11.568 3.571 1.00 0.00 C ATOM 675 NE ARG A 47 15.577 -11.796 2.202 1.00 0.00 N ATOM 676 CZ ARG A 47 15.617 -12.980 1.601 1.00 0.00 C ATOM 677 NH1 ARG A 47 16.090 -14.038 2.245 1.00 0.00 N ATOM 678 NH2 ARG A 47 15.184 -13.108 0.354 1.00 0.00 N ATOM 0 H ARG A 47 12.505 -8.803 3.600 1.00 0.00 H new ATOM 0 HA ARG A 47 13.978 -10.368 5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.364 -9.739 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.143 -8.286 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.973 -9.672 3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.580 -9.966 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.977 -12.089 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.312 -11.994 4.269 1.00 0.00 H new ATOM 0 HE ARG A 47 15.207 -11.002 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.424 -13.944 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.120 -14.946 1.781 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.820 -12.297 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.215 -14.018 -0.106 1.00 0.00 H new ATOM 692 N ALA A 48 13.977 -7.288 6.219 1.00 0.00 N ATOM 693 CA ALA A 48 14.432 -6.334 7.223 1.00 0.00 C ATOM 694 C ALA A 48 13.795 -6.618 8.579 1.00 0.00 C ATOM 695 O ALA A 48 13.120 -7.631 8.758 1.00 0.00 O ATOM 696 CB ALA A 48 14.120 -4.912 6.779 1.00 0.00 C ATOM 0 H ALA A 48 13.155 -6.989 5.695 1.00 0.00 H new ATOM 0 HA ALA A 48 15.512 -6.442 7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.465 -4.210 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.627 -4.706 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.044 -4.801 6.644 1.00 0.00 H new ATOM 702 N ASN A 49 14.016 -5.718 9.531 1.00 0.00 N ATOM 703 CA ASN A 49 13.465 -5.874 10.873 1.00 0.00 C ATOM 704 C ASN A 49 11.998 -5.457 10.909 1.00 0.00 C ATOM 705 O ASN A 49 11.467 -5.107 11.964 1.00 0.00 O ATOM 706 CB ASN A 49 14.268 -5.043 11.876 1.00 0.00 C ATOM 707 CG ASN A 49 15.580 -5.703 12.253 1.00 0.00 C ATOM 708 OD1 ASN A 49 15.661 -6.427 13.246 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.616 -5.455 11.461 1.00 0.00 N ATOM 0 H ASN A 49 14.572 -4.873 9.399 1.00 0.00 H new ATOM 0 HA ASN A 49 13.533 -6.927 11.147 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.468 -4.059 11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.671 -4.887 12.775 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.525 -5.871 11.665 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.503 -4.849 10.649 1.00 0.00 H new ATOM 716 N ARG A 50 11.348 -5.497 9.751 1.00 0.00 N ATOM 717 CA ARG A 50 9.942 -5.123 9.650 1.00 0.00 C ATOM 718 C ARG A 50 9.707 -3.730 10.228 1.00 0.00 C ATOM 719 O ARG A 50 8.702 -3.486 10.894 1.00 0.00 O ATOM 720 CB ARG A 50 9.067 -6.144 10.380 1.00 0.00 C ATOM 721 CG ARG A 50 9.066 -7.519 9.732 1.00 0.00 C ATOM 722 CD ARG A 50 8.285 -8.525 10.562 1.00 0.00 C ATOM 723 NE ARG A 50 8.019 -9.756 9.823 1.00 0.00 N ATOM 724 CZ ARG A 50 8.916 -10.721 9.654 1.00 0.00 C ATOM 725 NH1 ARG A 50 10.131 -10.599 10.170 1.00 0.00 N ATOM 726 NH2 ARG A 50 8.598 -11.811 8.968 1.00 0.00 N ATOM 0 H ARG A 50 11.772 -5.785 8.869 1.00 0.00 H new ATOM 0 HA ARG A 50 9.670 -5.110 8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.414 -6.237 11.409 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.044 -5.770 10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.631 -7.452 8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.092 -7.865 9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.844 -8.760 11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.341 -8.080 10.877 1.00 0.00 H new ATOM 0 HE ARG A 50 7.093 -9.882 9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.379 -9.763 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.818 -11.342 10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.664 -11.909 8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.287 -12.551 8.839 1.00 0.00 H new ATOM 740 N ASN A 51 10.642 -2.822 9.968 1.00 0.00 N ATOM 741 CA ASN A 51 10.537 -1.454 10.463 1.00 0.00 C ATOM 742 C ASN A 51 10.774 -0.449 9.339 1.00 0.00 C ATOM 743 O ASN A 51 11.093 0.714 9.588 1.00 0.00 O ATOM 744 CB ASN A 51 11.543 -1.220 11.592 1.00 0.00 C ATOM 745 CG ASN A 51 11.230 -2.044 12.826 1.00 0.00 C ATOM 746 OD1 ASN A 51 10.065 -2.280 13.149 1.00 0.00 O ATOM 747 ND2 ASN A 51 12.271 -2.486 13.522 1.00 0.00 N ATOM 0 H ASN A 51 11.480 -3.008 9.418 1.00 0.00 H new ATOM 0 HA ASN A 51 9.528 -1.310 10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.545 -1.466 11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.549 -0.163 11.856 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.123 -3.046 14.362 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.219 -2.266 13.217 1.00 0.00 H new ATOM 754 N CYS A 52 10.614 -0.906 8.102 1.00 0.00 N ATOM 755 CA CYS A 52 10.810 -0.049 6.939 1.00 0.00 C ATOM 756 C CYS A 52 9.857 1.143 6.975 1.00 0.00 C ATOM 757 O CYS A 52 8.645 0.996 7.134 1.00 0.00 O ATOM 758 CB CYS A 52 10.598 -0.846 5.650 1.00 0.00 C ATOM 759 SG CYS A 52 11.505 -2.425 5.595 1.00 0.00 S ATOM 0 H CYS A 52 10.349 -1.865 7.879 1.00 0.00 H new ATOM 0 HA CYS A 52 11.834 0.325 6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.533 -1.046 5.530 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.904 -0.233 4.802 1.00 0.00 H new ATOM 0 HG CYS A 52 10.725 -3.358 5.135 1.00 0.00 H new ATOM 764 N PRO A 53 10.417 2.353 6.825 1.00 0.00 N ATOM 765 CA PRO A 53 9.636 3.593 6.836 1.00 0.00 C ATOM 766 C PRO A 53 8.759 3.737 5.597 1.00 0.00 C ATOM 767 O PRO A 53 9.186 4.289 4.583 1.00 0.00 O ATOM 768 CB PRO A 53 10.707 4.686 6.862 1.00 0.00 C ATOM 769 CG PRO A 53 11.908 4.055 6.246 1.00 0.00 C ATOM 770 CD PRO A 53 11.855 2.602 6.631 1.00 0.00 C ATOM 0 HA PRO A 53 8.946 3.632 7.679 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.390 5.565 6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.912 5.016 7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.898 4.172 5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.824 4.522 6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.272 1.964 5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.423 2.406 7.540 1.00 0.00 H new ATOM 778 N ILE A 54 7.531 3.238 5.687 1.00 0.00 N ATOM 779 CA ILE A 54 6.593 3.313 4.573 1.00 0.00 C ATOM 780 C ILE A 54 6.093 4.739 4.370 1.00 0.00 C ATOM 781 O ILE A 54 5.120 5.161 4.994 1.00 0.00 O ATOM 782 CB ILE A 54 5.384 2.384 4.792 1.00 0.00 C ATOM 783 CG1 ILE A 54 5.853 0.944 5.012 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.435 2.462 3.605 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.537 0.340 3.805 1.00 0.00 C ATOM 0 H ILE A 54 7.162 2.778 6.519 1.00 0.00 H new ATOM 0 HA ILE A 54 7.133 2.990 3.683 1.00 0.00 H new ATOM 0 HB ILE A 54 4.849 2.712 5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.539 0.919 5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.995 0.328 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.586 1.800 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.080 3.486 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.959 2.156 2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.843 -0.681 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.847 0.332 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.415 0.933 3.550 1.00 0.00 H new ATOM 797 N ASP A 55 6.765 5.476 3.493 1.00 0.00 N ATOM 798 CA ASP A 55 6.388 6.855 3.204 1.00 0.00 C ATOM 799 C ASP A 55 5.904 6.996 1.765 1.00 0.00 C ATOM 800 O ASP A 55 5.759 6.005 1.049 1.00 0.00 O ATOM 801 CB ASP A 55 7.572 7.792 3.452 1.00 0.00 C ATOM 802 CG ASP A 55 7.132 9.183 3.863 1.00 0.00 C ATOM 803 OD1 ASP A 55 6.071 9.303 4.511 1.00 0.00 O ATOM 804 OD2 ASP A 55 7.850 10.152 3.539 1.00 0.00 O ATOM 0 H ASP A 55 7.574 5.142 2.969 1.00 0.00 H new ATOM 0 HA ASP A 55 5.571 7.130 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.209 7.371 4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.176 7.857 2.547 1.00 0.00 H new ATOM 809 N GLN A 56 5.655 8.233 1.348 1.00 0.00 N ATOM 810 CA GLN A 56 5.185 8.503 -0.006 1.00 0.00 C ATOM 811 C GLN A 56 6.294 9.116 -0.855 1.00 0.00 C ATOM 812 O GLN A 56 6.431 8.800 -2.037 1.00 0.00 O ATOM 813 CB GLN A 56 3.976 9.439 0.029 1.00 0.00 C ATOM 814 CG GLN A 56 3.681 10.102 -1.307 1.00 0.00 C ATOM 815 CD GLN A 56 3.659 9.113 -2.457 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.118 9.415 -3.559 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.125 7.924 -2.205 1.00 0.00 N ATOM 0 H GLN A 56 5.771 9.064 1.928 1.00 0.00 H new ATOM 0 HA GLN A 56 4.889 7.556 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.099 8.875 0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.147 10.212 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.718 10.610 -1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.434 10.865 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.756 7.717 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.083 7.218 -2.940 1.00 0.00 H new ATOM 915 N CYS A 62 8.725 -1.185 1.240 1.00 0.00 N ATOM 916 CA CYS A 62 8.689 -2.583 1.653 1.00 0.00 C ATOM 917 C CYS A 62 7.286 -3.162 1.491 1.00 0.00 C ATOM 918 O CYS A 62 6.316 -2.619 2.019 1.00 0.00 O ATOM 919 CB CYS A 62 9.144 -2.720 3.107 1.00 0.00 C ATOM 920 SG CYS A 62 8.876 -4.376 3.817 1.00 0.00 S ATOM 0 HA CYS A 62 9.371 -3.142 1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.205 -2.477 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.613 -1.986 3.713 1.00 0.00 H new ATOM 0 HG CYS A 62 8.753 -4.280 5.108 1.00 0.00 H new ATOM 925 N GLN A 63 7.189 -4.266 0.757 1.00 0.00 N ATOM 926 CA GLN A 63 5.905 -4.917 0.525 1.00 0.00 C ATOM 927 C GLN A 63 5.223 -5.261 1.845 1.00 0.00 C ATOM 928 O GLN A 63 4.195 -4.680 2.194 1.00 0.00 O ATOM 929 CB GLN A 63 6.096 -6.185 -0.309 1.00 0.00 C ATOM 930 CG GLN A 63 6.060 -5.938 -1.809 1.00 0.00 C ATOM 931 CD GLN A 63 5.859 -7.212 -2.606 1.00 0.00 C ATOM 932 OE1 GLN A 63 6.819 -7.908 -2.937 1.00 0.00 O ATOM 933 NE2 GLN A 63 4.607 -7.523 -2.918 1.00 0.00 N ATOM 0 H GLN A 63 7.983 -4.728 0.313 1.00 0.00 H new ATOM 0 HA GLN A 63 5.268 -4.223 -0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.050 -6.642 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.317 -6.902 -0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.256 -5.239 -2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.992 -5.464 -2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.842 -6.916 -2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.410 -8.369 -3.453 1.00 0.00 H new ATOM 942 N TYR A 64 5.801 -6.208 2.575 1.00 0.00 N ATOM 943 CA TYR A 64 5.247 -6.631 3.856 1.00 0.00 C ATOM 944 C TYR A 64 4.900 -5.426 4.724 1.00 0.00 C ATOM 945 O TYR A 64 3.729 -5.098 4.914 1.00 0.00 O ATOM 946 CB TYR A 64 6.238 -7.536 4.590 1.00 0.00 C ATOM 947 CG TYR A 64 5.939 -7.691 6.064 1.00 0.00 C ATOM 948 CD1 TYR A 64 5.100 -8.700 6.520 1.00 0.00 C ATOM 949 CD2 TYR A 64 6.494 -6.828 7.001 1.00 0.00 C ATOM 950 CE1 TYR A 64 4.823 -8.846 7.865 1.00 0.00 C ATOM 951 CE2 TYR A 64 6.224 -6.966 8.348 1.00 0.00 C ATOM 952 CZ TYR A 64 5.387 -7.976 8.776 1.00 0.00 C ATOM 953 OH TYR A 64 5.115 -8.117 10.117 1.00 0.00 O ATOM 0 H TYR A 64 6.653 -6.698 2.302 1.00 0.00 H new ATOM 0 HA TYR A 64 4.332 -7.190 3.661 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.234 -8.520 4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.243 -7.131 4.472 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.656 -9.382 5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.148 -6.035 6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.169 -9.636 8.202 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.665 -6.287 9.063 1.00 0.00 H new ATOM 0 HH TYR A 64 4.945 -9.061 10.319 1.00 0.00 H new ATOM 963 N CYS A 65 5.929 -4.769 5.250 1.00 0.00 N ATOM 964 CA CYS A 65 5.737 -3.599 6.098 1.00 0.00 C ATOM 965 C CYS A 65 4.559 -2.760 5.610 1.00 0.00 C ATOM 966 O CYS A 65 3.675 -2.401 6.387 1.00 0.00 O ATOM 967 CB CYS A 65 7.008 -2.748 6.125 1.00 0.00 C ATOM 968 SG CYS A 65 8.322 -3.408 7.200 1.00 0.00 S ATOM 0 H CYS A 65 6.905 -5.028 5.103 1.00 0.00 H new ATOM 0 HA CYS A 65 5.519 -3.946 7.108 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.394 -2.659 5.110 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.752 -1.742 6.458 1.00 0.00 H new ATOM 0 HG CYS A 65 9.484 -3.124 6.690 1.00 0.00 H new ATOM 973 N ARG A 66 4.555 -2.453 4.317 1.00 0.00 N ATOM 974 CA ARG A 66 3.488 -1.656 3.724 1.00 0.00 C ATOM 975 C ARG A 66 2.134 -2.333 3.915 1.00 0.00 C ATOM 976 O ARG A 66 1.249 -1.799 4.585 1.00 0.00 O ATOM 977 CB ARG A 66 3.755 -1.435 2.234 1.00 0.00 C ATOM 978 CG ARG A 66 2.765 -0.490 1.572 1.00 0.00 C ATOM 979 CD ARG A 66 3.383 0.216 0.376 1.00 0.00 C ATOM 980 NE ARG A 66 2.377 0.881 -0.448 1.00 0.00 N ATOM 981 CZ ARG A 66 2.548 1.157 -1.736 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.679 0.828 -2.344 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.585 1.765 -2.418 1.00 0.00 N ATOM 0 H ARG A 66 5.279 -2.744 3.660 1.00 0.00 H new ATOM 0 HA ARG A 66 3.466 -0.690 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.763 -1.038 2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.725 -2.397 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.886 -1.049 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.426 0.250 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.109 0.950 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.927 -0.508 -0.231 1.00 0.00 H new ATOM 0 HE ARG A 66 1.495 1.148 -0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.421 0.361 -1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.807 1.041 -3.333 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.714 2.020 -1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.716 1.977 -3.407 1.00 0.00 H new ATOM 997 N LEU A 67 1.979 -3.511 3.321 1.00 0.00 N ATOM 998 CA LEU A 67 0.732 -4.262 3.424 1.00 0.00 C ATOM 999 C LEU A 67 0.242 -4.307 4.868 1.00 0.00 C ATOM 1000 O LEU A 67 -0.909 -3.978 5.155 1.00 0.00 O ATOM 1001 CB LEU A 67 0.925 -5.683 2.894 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.147 -6.699 3.291 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.172 -7.310 4.646 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.521 -6.044 3.309 1.00 0.00 C ATOM 0 H LEU A 67 2.701 -3.967 2.763 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.021 -3.755 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.971 -5.640 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.891 -6.050 3.240 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.156 -7.498 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.602 -8.030 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.137 -7.815 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.210 -6.524 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.272 -6.781 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.525 -5.226 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.752 -5.655 2.317 1.00 0.00 H new ATOM 1016 N LYS A 68 1.124 -4.715 5.774 1.00 0.00 N ATOM 1017 CA LYS A 68 0.784 -4.801 7.189 1.00 0.00 C ATOM 1018 C LYS A 68 0.346 -3.443 7.726 1.00 0.00 C ATOM 1019 O LYS A 68 -0.716 -3.318 8.338 1.00 0.00 O ATOM 1020 CB LYS A 68 1.981 -5.317 7.992 1.00 0.00 C ATOM 1021 CG LYS A 68 2.380 -6.740 7.642 1.00 0.00 C ATOM 1022 CD LYS A 68 1.332 -7.741 8.098 1.00 0.00 C ATOM 1023 CE LYS A 68 1.627 -8.260 9.497 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.951 -7.446 10.544 1.00 0.00 N ATOM 0 H LYS A 68 2.081 -4.992 5.553 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.046 -5.500 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.833 -4.658 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.744 -5.266 9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.521 -6.825 6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.337 -6.976 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.348 -7.272 8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.297 -8.577 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.301 -9.297 9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.703 -8.251 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.855 -8.009 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.517 -6.596 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.008 -7.163 10.209 1.00 0.00 H new ATOM 1038 N LYS A 69 1.168 -2.426 7.493 1.00 0.00 N ATOM 1039 CA LYS A 69 0.865 -1.075 7.951 1.00 0.00 C ATOM 1040 C LYS A 69 -0.629 -0.785 7.838 1.00 0.00 C ATOM 1041 O LYS A 69 -1.174 0.017 8.598 1.00 0.00 O ATOM 1042 CB LYS A 69 1.657 -0.049 7.138 1.00 0.00 C ATOM 1043 CG LYS A 69 1.273 1.391 7.436 1.00 0.00 C ATOM 1044 CD LYS A 69 2.472 2.319 7.335 1.00 0.00 C ATOM 1045 CE LYS A 69 3.232 2.393 8.650 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.329 1.388 8.713 1.00 0.00 N ATOM 0 H LYS A 69 2.051 -2.512 6.989 1.00 0.00 H new ATOM 0 HA LYS A 69 1.154 -1.000 8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.720 -0.182 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.506 -0.244 6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.501 1.715 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.845 1.455 8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.139 1.969 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.138 3.317 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.648 3.393 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.542 2.230 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.046 1.699 9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.942 0.469 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.767 1.292 7.774 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.284 -1.442 6.888 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.715 -1.255 6.677 1.00 0.00 C ATOM 1062 C CYS A 70 -3.511 -1.748 7.881 1.00 0.00 C ATOM 1063 O CYS A 70 -4.331 -1.017 8.438 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.166 -1.993 5.415 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.313 -1.470 3.910 1.00 0.00 S ATOM 0 H CYS A 70 -0.847 -2.109 6.252 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.903 -0.189 6.552 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.008 -3.062 5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.238 -1.844 5.283 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.291 -2.245 3.699 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.266 -2.992 8.276 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.961 -3.585 9.414 1.00 0.00 C ATOM 1073 C LEU A 71 -3.581 -2.880 10.712 1.00 0.00 C ATOM 1074 O LEU A 71 -4.192 -3.106 11.757 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.636 -5.076 9.516 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.766 -5.881 8.222 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -2.990 -7.185 8.324 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.230 -6.153 7.908 1.00 0.00 C ATOM 0 H LEU A 71 -2.591 -3.610 7.825 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.033 -3.464 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.616 -5.181 9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.292 -5.520 10.264 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.343 -5.293 7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.094 -7.744 7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.936 -6.969 8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.382 -7.778 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.303 -6.727 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.678 -6.720 8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.759 -5.207 7.791 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.568 -2.023 10.639 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.106 -1.282 11.806 1.00 0.00 C ATOM 1092 C LYS A 72 -2.772 0.089 11.878 1.00 0.00 C ATOM 1093 O LYS A 72 -3.417 0.425 12.872 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.585 -1.120 11.765 1.00 0.00 C ATOM 1095 CG LYS A 72 0.006 -0.591 13.060 1.00 0.00 C ATOM 1096 CD LYS A 72 0.042 0.928 13.077 1.00 0.00 C ATOM 1097 CE LYS A 72 0.725 1.456 14.330 1.00 0.00 C ATOM 1098 NZ LYS A 72 0.325 2.858 14.631 1.00 0.00 N ATOM 0 H LYS A 72 -2.051 -1.825 9.782 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.380 -1.848 12.696 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.132 -2.084 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.322 -0.443 10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.583 -0.951 13.904 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.016 -0.981 13.186 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.569 1.290 12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.975 1.318 13.024 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.474 0.817 15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.806 1.406 14.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.812 3.181 15.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.587 3.473 13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.704 2.902 14.778 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.613 0.875 10.819 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.201 2.208 10.761 1.00 0.00 C ATOM 1114 C VAL A 73 -4.695 2.163 11.062 1.00 0.00 C ATOM 1115 O VAL A 73 -5.243 3.076 11.679 1.00 0.00 O ATOM 1116 CB VAL A 73 -2.986 2.857 9.381 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.508 3.127 9.141 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.560 1.975 8.282 1.00 0.00 C ATOM 0 H VAL A 73 -2.082 0.612 9.989 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.698 2.809 11.519 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.513 3.811 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.376 3.586 8.161 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.132 3.801 9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.956 2.188 9.179 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.399 2.449 7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.064 1.005 8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.629 1.839 8.446 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.350 1.093 10.622 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.775 0.948 10.854 1.00 0.00 C ATOM 1130 C GLY A 74 -7.462 0.149 9.765 1.00 0.00 C ATOM 1131 O GLY A 74 -8.462 -0.522 10.015 1.00 0.00 O ATOM 0 H GLY A 74 -4.919 0.324 10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.935 0.459 11.815 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.232 1.936 10.919 1.00 0.00 H new ATOM 1135 N MET A 75 -6.925 0.222 8.551 1.00 0.00 N ATOM 1136 CA MET A 75 -7.493 -0.500 7.419 1.00 0.00 C ATOM 1137 C MET A 75 -7.919 -1.906 7.830 1.00 0.00 C ATOM 1138 O MET A 75 -7.163 -2.630 8.478 1.00 0.00 O ATOM 1139 CB MET A 75 -6.481 -0.576 6.275 1.00 0.00 C ATOM 1140 CG MET A 75 -6.102 0.783 5.708 1.00 0.00 C ATOM 1141 SD MET A 75 -7.150 1.277 4.327 1.00 0.00 S ATOM 1142 CE MET A 75 -6.587 0.150 3.054 1.00 0.00 C ATOM 0 H MET A 75 -6.097 0.774 8.326 1.00 0.00 H new ATOM 0 HA MET A 75 -8.375 0.044 7.079 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.580 -1.076 6.630 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.894 -1.192 5.476 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.169 1.533 6.496 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.063 0.758 5.380 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.463 0.692 2.117 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.633 -0.286 3.350 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.322 -0.643 2.919 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.135 -2.286 7.450 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.661 -3.605 7.781 1.00 0.00 C ATOM 1154 C ARG A 76 -9.748 -4.484 6.536 1.00 0.00 C ATOM 1155 O ARG A 76 -9.976 -3.991 5.431 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.042 -3.479 8.426 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.086 -2.856 7.514 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.142 -2.103 8.309 1.00 0.00 C ATOM 1159 NE ARG A 76 -12.615 -0.870 8.887 1.00 0.00 N ATOM 1160 CZ ARG A 76 -13.172 -0.247 9.920 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -14.265 -0.739 10.485 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -12.633 0.871 10.390 1.00 0.00 N ATOM 0 H ARG A 76 -9.774 -1.699 6.913 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.978 -4.074 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.383 -4.468 8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.957 -2.878 9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.600 -2.175 6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.563 -3.635 6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.985 -1.868 7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.522 -2.743 9.105 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.774 -0.465 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.681 -1.599 10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.690 -0.258 11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.791 1.252 9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.061 1.349 11.183 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.565 -5.787 6.724 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.620 -6.733 5.617 1.00 0.00 C ATOM 1178 C ARG A 77 -11.066 -7.059 5.252 1.00 0.00 C ATOM 1179 O ARG A 77 -11.400 -7.209 4.078 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.873 -8.018 5.978 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.381 -7.816 6.191 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.670 -9.136 6.444 1.00 0.00 C ATOM 1183 NE ARG A 77 -6.445 -9.882 5.209 1.00 0.00 N ATOM 1184 CZ ARG A 77 -5.536 -10.842 5.086 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -4.771 -11.172 6.118 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -5.390 -11.476 3.929 1.00 0.00 N ATOM 0 H ARG A 77 -9.377 -6.211 7.633 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.140 -6.272 4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.307 -8.438 6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.022 -8.750 5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.950 -7.331 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.220 -7.147 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.714 -8.945 6.931 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.262 -9.741 7.130 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.017 -9.653 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.880 -10.688 7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.074 -11.910 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.977 -11.226 3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.691 -12.213 3.836 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.917 -7.167 6.268 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.326 -7.476 6.053 1.00 0.00 C ATOM 1202 C GLU A 78 -13.934 -6.545 5.007 1.00 0.00 C ATOM 1203 O GLU A 78 -14.855 -6.924 4.285 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.102 -7.362 7.367 1.00 0.00 C ATOM 1205 CG GLU A 78 -13.981 -5.999 8.029 1.00 0.00 C ATOM 1206 CD GLU A 78 -15.026 -5.779 9.105 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -16.220 -5.669 8.759 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -14.648 -5.716 10.294 1.00 0.00 O ATOM 0 H GLU A 78 -11.656 -7.045 7.246 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.395 -8.500 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.155 -7.572 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.744 -8.125 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.988 -5.898 8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.076 -5.221 7.271 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.412 -5.325 4.935 1.00 0.00 N ATOM 1216 CA ALA A 79 -13.901 -4.341 3.978 1.00 0.00 C ATOM 1217 C ALA A 79 -13.551 -4.742 2.549 1.00 0.00 C ATOM 1218 O ALA A 79 -14.412 -4.763 1.670 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.332 -2.966 4.297 1.00 0.00 C ATOM 0 H ALA A 79 -12.651 -4.995 5.528 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.987 -4.301 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.706 -2.241 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.638 -2.669 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.244 -3.002 4.246 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.280 -5.059 2.323 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.815 -5.461 1.001 1.00 0.00 C ATOM 1227 C VAL A 80 -12.816 -6.391 0.326 1.00 0.00 C ATOM 1228 O VAL A 80 -13.107 -6.249 -0.862 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.447 -6.164 1.076 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.042 -6.693 -0.291 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.391 -5.216 1.624 1.00 0.00 C ATOM 0 H VAL A 80 -11.554 -5.045 3.039 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.714 -4.550 0.411 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.531 -7.012 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.073 -7.186 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.787 -7.408 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.975 -5.865 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.430 -5.729 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.307 -4.348 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.677 -4.891 2.624 1.00 0.00 H new