USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1001 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 40 SER OG : rot 71:sc= 0.366 USER MOD Set 1.2: A 43 THR OG1 : rot 150:sc= -0.632 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 76:sc= 0.239 USER MOD Single : A 19 ASN : amide:sc= -2.33! C(o=-2.3!,f=-12!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -16:sc= 0.22 USER MOD Single : A 24 GLN : amide:sc= -0.0729 K(o=-0.073,f=-1.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 29 THR OG1 : rot -82:sc= 0.509 USER MOD Single : A 32 THR OG1 : rot 48:sc= 0.00403 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -0.105 (180deg=-0.799) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0055 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 66:sc= -0.576 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00555 USER MOD Single : A 58 GLN : amide:sc= -3.22! C(o=-3.2!,f=-3.5!) USER MOD Single : A 60 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 61 SER OG : rot 98:sc= 0.917 USER MOD Single : A 62 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.48) USER MOD Single : A 63 HIS : no HD1:sc= -0.914 X(o=-0.91,f=-0.75) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.083) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00271 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 76 GLN : amide:sc= -4.53! C(o=-4.5!,f=-3.2!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-0.87) USER MOD Single : A 81 LYS NZ :NH3+ -141:sc= -0.209 (180deg=-1.28!) USER MOD Single : A 82 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.038) USER MOD Single : A 88 LYS NZ :NH3+ -179:sc= 0.218 (180deg=0.0754) USER MOD Single : A 93 ASN : amide:sc= -2.26! C(o=-2.3!,f=-5.5!) USER MOD Single : A 101 ASN : amide:sc= -0.93 K(o=-0.93,f=-0.033) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.05! K(o=-1!,f=0) USER MOD Single : A 111 SER OG : rot 43:sc= 0.00663 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.9!) USER MOD Single : A 121 LYS NZ :NH3+ -124:sc= -1.66 (180deg=-3.59!) USER MOD Single : A 122 THR OG1 : rot 78:sc= 0.108 USER MOD Single : A 124 MET CE :methyl 177:sc= 0 (180deg=-0.0125) USER MOD Single : A 127 LYS NZ :NH3+ -146:sc= 1.09 (180deg=0.31) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.604 5.506 2.163 1.00 0.98 N ATOM 103 CA ASP A 8 -16.305 5.686 2.870 1.00 0.91 C ATOM 104 C ASP A 8 -15.473 6.747 2.145 1.00 0.79 C ATOM 105 O ASP A 8 -15.220 6.650 0.962 1.00 0.70 O ATOM 106 CB ASP A 8 -15.542 4.360 2.880 1.00 0.79 C ATOM 107 CG ASP A 8 -14.307 4.489 3.772 1.00 1.00 C ATOM 108 OD1 ASP A 8 -13.477 5.337 3.484 1.00 1.76 O ATOM 109 OD2 ASP A 8 -14.210 3.737 4.728 1.00 1.49 O ATOM 0 HA ASP A 8 -16.490 6.007 3.895 1.00 0.91 H new ATOM 0 HB2 ASP A 8 -16.186 3.560 3.246 1.00 0.79 H new ATOM 0 HB3 ASP A 8 -15.245 4.091 1.866 1.00 0.79 H new ATOM 114 N ILE A 9 -15.045 7.760 2.848 1.00 0.80 N ATOM 115 CA ILE A 9 -14.230 8.825 2.200 1.00 0.70 C ATOM 116 C ILE A 9 -12.756 8.412 2.208 1.00 0.57 C ATOM 117 O ILE A 9 -11.987 8.804 1.354 1.00 0.48 O ATOM 118 CB ILE A 9 -14.397 10.136 2.971 1.00 0.71 C ATOM 119 CG1 ILE A 9 -13.525 11.218 2.329 1.00 0.66 C ATOM 120 CG2 ILE A 9 -13.964 9.932 4.425 1.00 0.73 C ATOM 121 CD1 ILE A 9 -14.233 12.570 2.433 1.00 0.61 C ATOM 0 H ILE A 9 -15.225 7.896 3.843 1.00 0.80 H new ATOM 0 HA ILE A 9 -14.564 8.964 1.172 1.00 0.70 H new ATOM 0 HB ILE A 9 -15.442 10.444 2.942 1.00 0.71 H new ATOM 0 HG12 ILE A 9 -12.557 11.263 2.827 1.00 0.66 H new ATOM 0 HG13 ILE A 9 -13.335 10.974 1.284 1.00 0.66 H new ATOM 0 HG21 ILE A 9 -14.083 10.866 4.974 1.00 0.73 H new ATOM 0 HG22 ILE A 9 -14.582 9.160 4.884 1.00 0.73 H new ATOM 0 HG23 ILE A 9 -12.919 9.625 4.454 1.00 0.73 H new ATOM 0 HD11 ILE A 9 -13.613 13.341 1.976 1.00 0.61 H new ATOM 0 HD12 ILE A 9 -15.191 12.520 1.915 1.00 0.61 H new ATOM 0 HD13 ILE A 9 -14.400 12.813 3.482 1.00 0.61 H new ATOM 133 N THR A 10 -12.357 7.623 3.168 1.00 0.61 N ATOM 134 CA THR A 10 -10.934 7.185 3.230 1.00 0.53 C ATOM 135 C THR A 10 -10.551 6.511 1.911 1.00 0.48 C ATOM 136 O THR A 10 -9.419 6.580 1.473 1.00 0.64 O ATOM 137 CB THR A 10 -10.756 6.191 4.379 1.00 0.63 C ATOM 138 OG1 THR A 10 -11.518 6.623 5.498 1.00 0.70 O ATOM 139 CG2 THR A 10 -9.279 6.112 4.765 1.00 0.60 C ATOM 0 H THR A 10 -12.955 7.263 3.912 1.00 0.61 H new ATOM 0 HA THR A 10 -10.294 8.052 3.396 1.00 0.53 H new ATOM 0 HB THR A 10 -11.099 5.206 4.064 1.00 0.63 H new ATOM 0 HG1 THR A 10 -11.407 5.987 6.235 1.00 0.70 H new ATOM 0 HG21 THR A 10 -9.154 5.403 5.584 1.00 0.60 H new ATOM 0 HG22 THR A 10 -8.696 5.780 3.906 1.00 0.60 H new ATOM 0 HG23 THR A 10 -8.932 7.096 5.081 1.00 0.60 H new ATOM 147 N LEU A 11 -11.485 5.861 1.274 1.00 0.32 N ATOM 148 CA LEU A 11 -11.175 5.183 -0.017 1.00 0.28 C ATOM 149 C LEU A 11 -10.971 6.235 -1.109 1.00 0.26 C ATOM 150 O LEU A 11 -10.319 5.991 -2.105 1.00 0.26 O ATOM 151 CB LEU A 11 -12.336 4.265 -0.401 1.00 0.33 C ATOM 152 CG LEU A 11 -12.648 3.321 0.763 1.00 0.40 C ATOM 153 CD1 LEU A 11 -13.821 2.415 0.385 1.00 0.40 C ATOM 154 CD2 LEU A 11 -11.418 2.461 1.069 1.00 0.59 C ATOM 0 H LEU A 11 -12.450 5.770 1.591 1.00 0.32 H new ATOM 0 HA LEU A 11 -10.266 4.592 0.091 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -13.216 4.858 -0.648 1.00 0.33 H new ATOM 0 HB3 LEU A 11 -12.080 3.690 -1.291 1.00 0.33 H new ATOM 0 HG LEU A 11 -12.910 3.907 1.644 1.00 0.40 H new ATOM 0 HD11 LEU A 11 -14.043 1.743 1.214 1.00 0.40 H new ATOM 0 HD12 LEU A 11 -14.697 3.026 0.168 1.00 0.40 H new ATOM 0 HD13 LEU A 11 -13.559 1.830 -0.497 1.00 0.40 H new ATOM 0 HD21 LEU A 11 -11.641 1.789 1.898 1.00 0.59 H new ATOM 0 HD22 LEU A 11 -11.155 1.876 0.188 1.00 0.59 H new ATOM 0 HD23 LEU A 11 -10.582 3.105 1.339 1.00 0.59 H new ATOM 166 N GLN A 12 -11.524 7.404 -0.930 1.00 0.27 N ATOM 167 CA GLN A 12 -11.361 8.470 -1.958 1.00 0.29 C ATOM 168 C GLN A 12 -9.960 9.072 -1.851 1.00 0.25 C ATOM 169 O GLN A 12 -9.215 9.109 -2.810 1.00 0.41 O ATOM 170 CB GLN A 12 -12.406 9.564 -1.727 1.00 0.35 C ATOM 171 CG GLN A 12 -12.291 10.621 -2.827 1.00 0.49 C ATOM 172 CD GLN A 12 -13.640 10.777 -3.531 1.00 0.93 C ATOM 173 OE1 GLN A 12 -13.954 10.033 -4.439 1.00 2.25 O ATOM 174 NE2 GLN A 12 -14.458 11.719 -3.147 1.00 1.13 N ATOM 0 H GLN A 12 -12.081 7.666 -0.117 1.00 0.27 H new ATOM 0 HA GLN A 12 -11.496 8.041 -2.951 1.00 0.29 H new ATOM 0 HB2 GLN A 12 -13.407 9.132 -1.727 1.00 0.35 H new ATOM 0 HB3 GLN A 12 -12.257 10.023 -0.750 1.00 0.35 H new ATOM 0 HG2 GLN A 12 -11.980 11.574 -2.399 1.00 0.49 H new ATOM 0 HG3 GLN A 12 -11.525 10.330 -3.546 1.00 0.49 H new ATOM 0 HE21 GLN A 12 -14.195 12.344 -2.385 1.00 1.13 H new ATOM 0 HE22 GLN A 12 -15.360 11.830 -3.609 1.00 1.13 H new ATOM 183 N GLU A 13 -9.593 9.545 -0.691 1.00 0.27 N ATOM 184 CA GLU A 13 -8.240 10.145 -0.524 1.00 0.20 C ATOM 185 C GLU A 13 -7.174 9.073 -0.764 1.00 0.10 C ATOM 186 O GLU A 13 -6.086 9.358 -1.221 1.00 0.09 O ATOM 187 CB GLU A 13 -8.098 10.698 0.896 1.00 0.24 C ATOM 188 CG GLU A 13 -8.169 9.547 1.901 1.00 0.29 C ATOM 189 CD GLU A 13 -8.389 10.109 3.307 1.00 1.17 C ATOM 190 OE1 GLU A 13 -9.475 10.604 3.561 1.00 2.25 O ATOM 191 OE2 GLU A 13 -7.469 10.037 4.104 1.00 1.39 O ATOM 0 H GLU A 13 -10.173 9.542 0.148 1.00 0.27 H new ATOM 0 HA GLU A 13 -8.110 10.954 -1.243 1.00 0.20 H new ATOM 0 HB2 GLU A 13 -7.150 11.227 0.999 1.00 0.24 H new ATOM 0 HB3 GLU A 13 -8.889 11.420 1.097 1.00 0.24 H new ATOM 0 HG2 GLU A 13 -8.981 8.870 1.637 1.00 0.29 H new ATOM 0 HG3 GLU A 13 -7.247 8.966 1.870 1.00 0.29 H new ATOM 198 N ILE A 14 -7.480 7.842 -0.458 1.00 0.20 N ATOM 199 CA ILE A 14 -6.483 6.754 -0.668 1.00 0.14 C ATOM 200 C ILE A 14 -6.212 6.593 -2.166 1.00 0.08 C ATOM 201 O ILE A 14 -5.079 6.524 -2.598 1.00 0.11 O ATOM 202 CB ILE A 14 -7.034 5.442 -0.106 1.00 0.19 C ATOM 203 CG1 ILE A 14 -6.779 5.388 1.402 1.00 0.36 C ATOM 204 CG2 ILE A 14 -6.333 4.262 -0.783 1.00 0.09 C ATOM 205 CD1 ILE A 14 -7.587 4.243 2.016 1.00 0.43 C ATOM 0 H ILE A 14 -8.376 7.543 -0.072 1.00 0.20 H new ATOM 0 HA ILE A 14 -5.555 7.008 -0.156 1.00 0.14 H new ATOM 0 HB ILE A 14 -8.106 5.386 -0.297 1.00 0.19 H new ATOM 0 HG12 ILE A 14 -5.716 5.243 1.597 1.00 0.36 H new ATOM 0 HG13 ILE A 14 -7.061 6.334 1.863 1.00 0.36 H new ATOM 0 HG21 ILE A 14 -6.725 3.327 -0.383 1.00 0.09 H new ATOM 0 HG22 ILE A 14 -6.512 4.300 -1.857 1.00 0.09 H new ATOM 0 HG23 ILE A 14 -5.261 4.317 -0.592 1.00 0.09 H new ATOM 0 HD11 ILE A 14 -7.405 4.205 3.090 1.00 0.43 H new ATOM 0 HD12 ILE A 14 -8.649 4.408 1.833 1.00 0.43 H new ATOM 0 HD13 ILE A 14 -7.283 3.299 1.563 1.00 0.43 H new ATOM 217 N ILE A 15 -7.245 6.534 -2.962 1.00 0.23 N ATOM 218 CA ILE A 15 -7.046 6.378 -4.430 1.00 0.30 C ATOM 219 C ILE A 15 -6.170 7.520 -4.950 1.00 0.29 C ATOM 220 O ILE A 15 -5.202 7.304 -5.651 1.00 0.30 O ATOM 221 CB ILE A 15 -8.402 6.413 -5.136 1.00 0.39 C ATOM 222 CG1 ILE A 15 -9.127 5.084 -4.910 1.00 0.35 C ATOM 223 CG2 ILE A 15 -8.193 6.628 -6.636 1.00 0.51 C ATOM 224 CD1 ILE A 15 -10.589 5.219 -5.341 1.00 0.37 C ATOM 0 H ILE A 15 -8.217 6.587 -2.659 1.00 0.23 H new ATOM 0 HA ILE A 15 -6.557 5.425 -4.631 1.00 0.30 H new ATOM 0 HB ILE A 15 -9.000 7.230 -4.732 1.00 0.39 H new ATOM 0 HG12 ILE A 15 -8.641 4.291 -5.479 1.00 0.35 H new ATOM 0 HG13 ILE A 15 -9.072 4.802 -3.859 1.00 0.35 H new ATOM 0 HG21 ILE A 15 -9.160 6.653 -7.138 1.00 0.51 H new ATOM 0 HG22 ILE A 15 -7.675 7.573 -6.799 1.00 0.51 H new ATOM 0 HG23 ILE A 15 -7.595 5.812 -7.041 1.00 0.51 H new ATOM 0 HD11 ILE A 15 -11.105 4.272 -5.180 1.00 0.37 H new ATOM 0 HD12 ILE A 15 -11.071 6.000 -4.753 1.00 0.37 H new ATOM 0 HD13 ILE A 15 -10.634 5.481 -6.398 1.00 0.37 H new ATOM 236 N LYS A 16 -6.504 8.736 -4.612 1.00 0.30 N ATOM 237 CA LYS A 16 -5.691 9.891 -5.088 1.00 0.30 C ATOM 238 C LYS A 16 -4.229 9.684 -4.689 1.00 0.21 C ATOM 239 O LYS A 16 -3.324 9.926 -5.463 1.00 0.19 O ATOM 240 CB LYS A 16 -6.216 11.180 -4.453 1.00 0.34 C ATOM 241 CG LYS A 16 -7.681 11.386 -4.846 1.00 0.99 C ATOM 242 CD LYS A 16 -8.021 12.877 -4.797 1.00 0.68 C ATOM 243 CE LYS A 16 -7.798 13.406 -3.379 1.00 1.46 C ATOM 244 NZ LYS A 16 -8.294 14.809 -3.290 1.00 2.04 N ATOM 0 H LYS A 16 -7.304 8.979 -4.028 1.00 0.30 H new ATOM 0 HA LYS A 16 -5.764 9.965 -6.173 1.00 0.30 H new ATOM 0 HB2 LYS A 16 -6.124 11.127 -3.368 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -5.618 12.030 -4.782 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -7.858 10.995 -5.848 1.00 0.99 H new ATOM 0 HG3 LYS A 16 -8.331 10.832 -4.169 1.00 0.99 H new ATOM 0 HD2 LYS A 16 -7.398 13.426 -5.503 1.00 0.68 H new ATOM 0 HD3 LYS A 16 -9.057 13.034 -5.096 1.00 0.68 H new ATOM 0 HE2 LYS A 16 -8.321 12.777 -2.658 1.00 1.46 H new ATOM 0 HE3 LYS A 16 -6.738 13.367 -3.127 1.00 1.46 H new ATOM 0 HZ1 LYS A 16 -8.143 15.170 -2.326 1.00 2.04 H new ATOM 0 HZ2 LYS A 16 -7.776 15.404 -3.968 1.00 2.04 H new ATOM 0 HZ3 LYS A 16 -9.309 14.833 -3.514 1.00 2.04 H new ATOM 258 N THR A 17 -3.989 9.236 -3.487 1.00 0.17 N ATOM 259 CA THR A 17 -2.585 9.014 -3.041 1.00 0.12 C ATOM 260 C THR A 17 -1.902 8.023 -3.985 1.00 0.20 C ATOM 261 O THR A 17 -0.828 8.275 -4.494 1.00 0.33 O ATOM 262 CB THR A 17 -2.586 8.448 -1.619 1.00 0.12 C ATOM 263 OG1 THR A 17 -3.033 9.447 -0.713 1.00 0.49 O ATOM 264 CG2 THR A 17 -1.169 8.011 -1.241 1.00 0.49 C ATOM 0 H THR A 17 -4.705 9.014 -2.795 1.00 0.17 H new ATOM 0 HA THR A 17 -2.044 9.960 -3.055 1.00 0.12 H new ATOM 0 HB THR A 17 -3.254 7.588 -1.570 1.00 0.12 H new ATOM 0 HG1 THR A 17 -4.006 9.540 -0.782 1.00 0.49 H new ATOM 0 HG21 THR A 17 -1.171 7.608 -0.228 1.00 0.49 H new ATOM 0 HG22 THR A 17 -0.827 7.244 -1.936 1.00 0.49 H new ATOM 0 HG23 THR A 17 -0.499 8.869 -1.289 1.00 0.49 H new ATOM 272 N LEU A 18 -2.515 6.895 -4.222 1.00 0.15 N ATOM 273 CA LEU A 18 -1.900 5.890 -5.133 1.00 0.25 C ATOM 274 C LEU A 18 -1.428 6.585 -6.411 1.00 0.27 C ATOM 275 O LEU A 18 -0.338 6.347 -6.893 1.00 0.30 O ATOM 276 CB LEU A 18 -2.938 4.821 -5.487 1.00 0.34 C ATOM 277 CG LEU A 18 -2.959 3.737 -4.402 1.00 0.48 C ATOM 278 CD1 LEU A 18 -4.162 2.819 -4.626 1.00 0.31 C ATOM 279 CD2 LEU A 18 -1.671 2.904 -4.455 1.00 1.22 C ATOM 0 H LEU A 18 -3.415 6.627 -3.824 1.00 0.15 H new ATOM 0 HA LEU A 18 -1.050 5.421 -4.638 1.00 0.25 H new ATOM 0 HB2 LEU A 18 -3.924 5.275 -5.579 1.00 0.34 H new ATOM 0 HB3 LEU A 18 -2.700 4.376 -6.453 1.00 0.34 H new ATOM 0 HG LEU A 18 -3.032 4.216 -3.426 1.00 0.48 H new ATOM 0 HD11 LEU A 18 -4.179 2.048 -3.856 1.00 0.31 H new ATOM 0 HD12 LEU A 18 -5.080 3.404 -4.575 1.00 0.31 H new ATOM 0 HD13 LEU A 18 -4.085 2.351 -5.607 1.00 0.31 H new ATOM 0 HD21 LEU A 18 -1.700 2.139 -3.679 1.00 1.22 H new ATOM 0 HD22 LEU A 18 -1.586 2.427 -5.432 1.00 1.22 H new ATOM 0 HD23 LEU A 18 -0.811 3.553 -4.292 1.00 1.22 H new ATOM 291 N ASN A 19 -2.238 7.447 -6.963 1.00 0.29 N ATOM 292 CA ASN A 19 -1.834 8.158 -8.209 1.00 0.33 C ATOM 293 C ASN A 19 -0.543 8.939 -7.953 1.00 0.27 C ATOM 294 O ASN A 19 0.351 8.966 -8.776 1.00 0.33 O ATOM 295 CB ASN A 19 -2.942 9.127 -8.625 1.00 0.37 C ATOM 296 CG ASN A 19 -4.280 8.388 -8.660 1.00 0.77 C ATOM 297 OD1 ASN A 19 -4.491 7.451 -7.914 1.00 1.47 O ATOM 298 ND2 ASN A 19 -5.202 8.771 -9.501 1.00 1.26 N ATOM 0 H ASN A 19 -3.162 7.689 -6.605 1.00 0.29 H new ATOM 0 HA ASN A 19 -1.669 7.432 -9.005 1.00 0.33 H new ATOM 0 HB2 ASN A 19 -2.993 9.960 -7.924 1.00 0.37 H new ATOM 0 HB3 ASN A 19 -2.722 9.549 -9.606 1.00 0.37 H new ATOM 0 HD21 ASN A 19 -6.098 8.285 -9.532 1.00 1.26 H new ATOM 0 HD22 ASN A 19 -5.026 9.557 -10.127 1.00 1.26 H new ATOM 305 N SER A 20 -0.438 9.574 -6.817 1.00 0.15 N ATOM 306 CA SER A 20 0.795 10.352 -6.509 1.00 0.09 C ATOM 307 C SER A 20 2.019 9.445 -6.656 1.00 0.20 C ATOM 308 O SER A 20 3.014 9.819 -7.245 1.00 0.32 O ATOM 309 CB SER A 20 0.720 10.878 -5.076 1.00 0.17 C ATOM 310 OG SER A 20 -0.480 11.622 -4.912 1.00 0.46 O ATOM 0 H SER A 20 -1.153 9.587 -6.089 1.00 0.15 H new ATOM 0 HA SER A 20 0.879 11.191 -7.200 1.00 0.09 H new ATOM 0 HB2 SER A 20 0.747 10.048 -4.370 1.00 0.17 H new ATOM 0 HB3 SER A 20 1.584 11.507 -4.861 1.00 0.17 H new ATOM 0 HG SER A 20 -0.533 11.960 -3.994 1.00 0.46 H new ATOM 316 N LEU A 21 1.954 8.255 -6.123 1.00 0.25 N ATOM 317 CA LEU A 21 3.115 7.326 -6.232 1.00 0.45 C ATOM 318 C LEU A 21 3.325 6.945 -7.700 1.00 0.57 C ATOM 319 O LEU A 21 4.414 7.054 -8.228 1.00 0.78 O ATOM 320 CB LEU A 21 2.836 6.064 -5.413 1.00 0.48 C ATOM 321 CG LEU A 21 2.481 6.452 -3.975 1.00 0.62 C ATOM 322 CD1 LEU A 21 2.200 5.189 -3.160 1.00 0.56 C ATOM 323 CD2 LEU A 21 3.649 7.215 -3.344 1.00 0.94 C ATOM 0 H LEU A 21 1.148 7.886 -5.618 1.00 0.25 H new ATOM 0 HA LEU A 21 4.011 7.816 -5.851 1.00 0.45 H new ATOM 0 HB2 LEU A 21 2.017 5.501 -5.861 1.00 0.48 H new ATOM 0 HB3 LEU A 21 3.711 5.414 -5.419 1.00 0.48 H new ATOM 0 HG LEU A 21 1.595 7.087 -3.981 1.00 0.62 H new ATOM 0 HD11 LEU A 21 1.947 5.465 -2.136 1.00 0.56 H new ATOM 0 HD12 LEU A 21 1.366 4.646 -3.606 1.00 0.56 H new ATOM 0 HD13 LEU A 21 3.086 4.554 -3.156 1.00 0.56 H new ATOM 0 HD21 LEU A 21 3.394 7.490 -2.321 1.00 0.94 H new ATOM 0 HD22 LEU A 21 4.537 6.582 -3.339 1.00 0.94 H new ATOM 0 HD23 LEU A 21 3.849 8.117 -3.923 1.00 0.94 H new ATOM 335 N THR A 22 2.294 6.497 -8.361 1.00 0.48 N ATOM 336 CA THR A 22 2.438 6.110 -9.792 1.00 0.66 C ATOM 337 C THR A 22 3.189 7.210 -10.545 1.00 0.76 C ATOM 338 O THR A 22 3.843 6.962 -11.538 1.00 1.12 O ATOM 339 CB THR A 22 1.052 5.923 -10.413 1.00 0.67 C ATOM 340 OG1 THR A 22 0.300 7.118 -10.257 1.00 0.61 O ATOM 341 CG2 THR A 22 0.331 4.768 -9.717 1.00 0.57 C ATOM 0 H THR A 22 1.358 6.382 -7.972 1.00 0.48 H new ATOM 0 HA THR A 22 2.996 5.176 -9.861 1.00 0.66 H new ATOM 0 HB THR A 22 1.156 5.696 -11.474 1.00 0.67 H new ATOM 0 HG1 THR A 22 0.728 7.689 -9.585 1.00 0.61 H new ATOM 0 HG21 THR A 22 -0.656 4.636 -10.160 1.00 0.57 H new ATOM 0 HG22 THR A 22 0.909 3.852 -9.839 1.00 0.57 H new ATOM 0 HG23 THR A 22 0.225 4.992 -8.656 1.00 0.57 H new ATOM 349 N GLU A 23 3.101 8.426 -10.079 1.00 0.43 N ATOM 350 CA GLU A 23 3.810 9.541 -10.767 1.00 0.50 C ATOM 351 C GLU A 23 5.264 9.589 -10.296 1.00 0.53 C ATOM 352 O GLU A 23 6.147 10.015 -11.015 1.00 0.58 O ATOM 353 CB GLU A 23 3.122 10.867 -10.434 1.00 0.60 C ATOM 354 CG GLU A 23 2.137 11.226 -11.548 1.00 0.92 C ATOM 355 CD GLU A 23 2.894 11.866 -12.713 1.00 1.87 C ATOM 356 OE1 GLU A 23 4.085 11.626 -12.822 1.00 2.80 O ATOM 357 OE2 GLU A 23 2.270 12.584 -13.476 1.00 2.34 O ATOM 0 H GLU A 23 2.569 8.695 -9.252 1.00 0.43 H new ATOM 0 HA GLU A 23 3.782 9.378 -11.844 1.00 0.50 H new ATOM 0 HB2 GLU A 23 2.597 10.787 -9.482 1.00 0.60 H new ATOM 0 HB3 GLU A 23 3.865 11.657 -10.323 1.00 0.60 H new ATOM 0 HG2 GLU A 23 1.614 10.332 -11.888 1.00 0.92 H new ATOM 0 HG3 GLU A 23 1.380 11.914 -11.171 1.00 0.92 H new ATOM 364 N GLN A 24 5.522 9.155 -9.093 1.00 0.51 N ATOM 365 CA GLN A 24 6.920 9.176 -8.576 1.00 0.56 C ATOM 366 C GLN A 24 7.589 7.828 -8.859 1.00 0.51 C ATOM 367 O GLN A 24 6.954 6.793 -8.836 1.00 0.46 O ATOM 368 CB GLN A 24 6.902 9.428 -7.066 1.00 0.59 C ATOM 369 CG GLN A 24 7.380 10.853 -6.780 1.00 0.53 C ATOM 370 CD GLN A 24 7.066 11.215 -5.328 1.00 0.86 C ATOM 371 OE1 GLN A 24 6.651 10.374 -4.554 1.00 1.54 O ATOM 372 NE2 GLN A 24 7.245 12.442 -4.921 1.00 1.59 N ATOM 0 H GLN A 24 4.825 8.787 -8.445 1.00 0.51 H new ATOM 0 HA GLN A 24 7.478 9.971 -9.071 1.00 0.56 H new ATOM 0 HB2 GLN A 24 5.895 9.286 -6.675 1.00 0.59 H new ATOM 0 HB3 GLN A 24 7.545 8.709 -6.559 1.00 0.59 H new ATOM 0 HG2 GLN A 24 8.452 10.932 -6.962 1.00 0.53 H new ATOM 0 HG3 GLN A 24 6.890 11.555 -7.455 1.00 0.53 H new ATOM 0 HE21 GLN A 24 7.593 13.149 -5.569 1.00 1.59 H new ATOM 0 HE22 GLN A 24 7.037 12.694 -3.955 1.00 1.59 H new ATOM 381 N LYS A 25 8.867 7.836 -9.124 1.00 0.55 N ATOM 382 CA LYS A 25 9.577 6.556 -9.410 1.00 0.54 C ATOM 383 C LYS A 25 11.005 6.635 -8.865 1.00 0.64 C ATOM 384 O LYS A 25 11.684 7.631 -9.020 1.00 1.11 O ATOM 385 CB LYS A 25 9.621 6.322 -10.921 1.00 0.52 C ATOM 386 CG LYS A 25 8.279 6.713 -11.540 1.00 1.05 C ATOM 387 CD LYS A 25 8.284 6.371 -13.032 1.00 0.93 C ATOM 388 CE LYS A 25 7.119 7.081 -13.722 1.00 1.35 C ATOM 389 NZ LYS A 25 6.457 6.143 -14.672 1.00 1.16 N ATOM 0 H LYS A 25 9.450 8.672 -9.155 1.00 0.55 H new ATOM 0 HA LYS A 25 9.048 5.732 -8.931 1.00 0.54 H new ATOM 0 HB2 LYS A 25 10.424 6.910 -11.367 1.00 0.52 H new ATOM 0 HB3 LYS A 25 9.838 5.275 -11.131 1.00 0.52 H new ATOM 0 HG2 LYS A 25 7.468 6.185 -11.038 1.00 1.05 H new ATOM 0 HG3 LYS A 25 8.100 7.779 -11.401 1.00 1.05 H new ATOM 0 HD2 LYS A 25 9.228 6.676 -13.483 1.00 0.93 H new ATOM 0 HD3 LYS A 25 8.199 5.293 -13.169 1.00 0.93 H new ATOM 0 HE2 LYS A 25 6.401 7.430 -12.980 1.00 1.35 H new ATOM 0 HE3 LYS A 25 7.480 7.961 -14.255 1.00 1.35 H new ATOM 0 HZ1 LYS A 25 5.665 6.626 -15.141 1.00 1.16 H new ATOM 0 HZ2 LYS A 25 7.144 5.831 -15.387 1.00 1.16 H new ATOM 0 HZ3 LYS A 25 6.099 5.317 -14.151 1.00 1.16 H new ATOM 403 N THR A 26 11.464 5.593 -8.227 1.00 0.46 N ATOM 404 CA THR A 26 12.848 5.606 -7.671 1.00 0.48 C ATOM 405 C THR A 26 13.448 4.203 -7.769 1.00 0.44 C ATOM 406 O THR A 26 12.994 3.374 -8.533 1.00 0.68 O ATOM 407 CB THR A 26 12.805 6.041 -6.204 1.00 0.52 C ATOM 408 OG1 THR A 26 12.434 4.933 -5.395 1.00 0.47 O ATOM 409 CG2 THR A 26 11.784 7.167 -6.029 1.00 0.56 C ATOM 0 H THR A 26 10.940 4.732 -8.066 1.00 0.46 H new ATOM 0 HA THR A 26 13.462 6.305 -8.239 1.00 0.48 H new ATOM 0 HB THR A 26 13.790 6.400 -5.904 1.00 0.52 H new ATOM 0 HG1 THR A 26 12.407 5.209 -4.455 1.00 0.47 H new ATOM 0 HG21 THR A 26 11.756 7.474 -4.983 1.00 0.56 H new ATOM 0 HG22 THR A 26 12.070 8.017 -6.649 1.00 0.56 H new ATOM 0 HG23 THR A 26 10.798 6.814 -6.330 1.00 0.56 H new ATOM 417 N LEU A 27 14.466 3.928 -7.000 1.00 0.34 N ATOM 418 CA LEU A 27 15.094 2.576 -7.049 1.00 0.35 C ATOM 419 C LEU A 27 14.409 1.657 -6.035 1.00 0.36 C ATOM 420 O LEU A 27 14.554 0.451 -6.081 1.00 0.35 O ATOM 421 CB LEU A 27 16.590 2.675 -6.723 1.00 0.43 C ATOM 422 CG LEU A 27 16.863 3.872 -5.805 1.00 1.30 C ATOM 423 CD1 LEU A 27 16.044 3.739 -4.519 1.00 2.61 C ATOM 424 CD2 LEU A 27 18.352 3.905 -5.452 1.00 0.48 C ATOM 0 H LEU A 27 14.890 4.580 -6.340 1.00 0.34 H new ATOM 0 HA LEU A 27 14.976 2.167 -8.052 1.00 0.35 H new ATOM 0 HB2 LEU A 27 16.924 1.756 -6.241 1.00 0.43 H new ATOM 0 HB3 LEU A 27 17.163 2.778 -7.645 1.00 0.43 H new ATOM 0 HG LEU A 27 16.581 4.791 -6.318 1.00 1.30 H new ATOM 0 HD11 LEU A 27 16.243 4.593 -3.871 1.00 2.61 H new ATOM 0 HD12 LEU A 27 14.983 3.709 -4.765 1.00 2.61 H new ATOM 0 HD13 LEU A 27 16.323 2.820 -4.004 1.00 2.61 H new ATOM 0 HD21 LEU A 27 18.552 4.754 -4.799 1.00 0.48 H new ATOM 0 HD22 LEU A 27 18.625 2.982 -4.941 1.00 0.48 H new ATOM 0 HD23 LEU A 27 18.940 4.002 -6.365 1.00 0.48 H new ATOM 436 N CYS A 28 13.665 2.214 -5.120 1.00 0.37 N ATOM 437 CA CYS A 28 12.973 1.369 -4.106 1.00 0.38 C ATOM 438 C CYS A 28 11.792 0.653 -4.764 1.00 0.54 C ATOM 439 O CYS A 28 11.092 -0.116 -4.136 1.00 0.62 O ATOM 440 CB CYS A 28 12.465 2.254 -2.965 1.00 0.37 C ATOM 441 SG CYS A 28 12.766 1.435 -1.378 1.00 0.20 S ATOM 0 H CYS A 28 13.506 3.218 -5.030 1.00 0.37 H new ATOM 0 HA CYS A 28 13.670 0.631 -3.708 1.00 0.38 H new ATOM 0 HB2 CYS A 28 12.970 3.220 -2.988 1.00 0.37 H new ATOM 0 HB3 CYS A 28 11.400 2.448 -3.089 1.00 0.37 H new ATOM 446 N THR A 29 11.567 0.899 -6.026 1.00 0.59 N ATOM 447 CA THR A 29 10.434 0.230 -6.725 1.00 0.74 C ATOM 448 C THR A 29 10.936 -1.054 -7.389 1.00 0.83 C ATOM 449 O THR A 29 10.169 -1.826 -7.929 1.00 1.12 O ATOM 450 CB THR A 29 9.866 1.169 -7.792 1.00 0.96 C ATOM 451 OG1 THR A 29 10.838 1.368 -8.810 1.00 0.99 O ATOM 452 CG2 THR A 29 9.509 2.513 -7.156 1.00 0.97 C ATOM 0 H THR A 29 12.119 1.534 -6.603 1.00 0.59 H new ATOM 0 HA THR A 29 9.653 -0.013 -6.005 1.00 0.74 H new ATOM 0 HB THR A 29 8.969 0.726 -8.225 1.00 0.96 H new ATOM 0 HG1 THR A 29 11.471 2.060 -8.527 1.00 0.99 H new ATOM 0 HG21 THR A 29 9.105 3.180 -7.918 1.00 0.97 H new ATOM 0 HG22 THR A 29 8.764 2.360 -6.375 1.00 0.97 H new ATOM 0 HG23 THR A 29 10.404 2.959 -6.721 1.00 0.97 H new ATOM 460 N GLU A 30 12.219 -1.286 -7.354 1.00 0.70 N ATOM 461 CA GLU A 30 12.771 -2.519 -7.983 1.00 0.79 C ATOM 462 C GLU A 30 12.794 -3.651 -6.953 1.00 0.65 C ATOM 463 O GLU A 30 12.986 -4.803 -7.287 1.00 0.81 O ATOM 464 CB GLU A 30 14.196 -2.247 -8.472 1.00 0.87 C ATOM 465 CG GLU A 30 14.143 -1.518 -9.817 1.00 1.23 C ATOM 466 CD GLU A 30 13.694 -2.492 -10.908 1.00 1.86 C ATOM 467 OE1 GLU A 30 14.051 -3.656 -10.820 1.00 1.83 O ATOM 468 OE2 GLU A 30 13.000 -2.058 -11.812 1.00 3.02 O ATOM 0 H GLU A 30 12.909 -0.675 -6.917 1.00 0.70 H new ATOM 0 HA GLU A 30 12.145 -2.808 -8.827 1.00 0.79 H new ATOM 0 HB2 GLU A 30 14.734 -1.644 -7.740 1.00 0.87 H new ATOM 0 HB3 GLU A 30 14.742 -3.185 -8.576 1.00 0.87 H new ATOM 0 HG2 GLU A 30 13.453 -0.676 -9.760 1.00 1.23 H new ATOM 0 HG3 GLU A 30 15.124 -1.110 -10.060 1.00 1.23 H new ATOM 475 N LEU A 31 12.601 -3.332 -5.702 1.00 0.43 N ATOM 476 CA LEU A 31 12.612 -4.389 -4.653 1.00 0.36 C ATOM 477 C LEU A 31 11.514 -5.413 -4.948 1.00 0.36 C ATOM 478 O LEU A 31 10.913 -5.404 -6.005 1.00 0.96 O ATOM 479 CB LEU A 31 12.362 -3.753 -3.284 1.00 0.21 C ATOM 480 CG LEU A 31 13.341 -2.597 -3.071 1.00 0.31 C ATOM 481 CD1 LEU A 31 13.097 -1.967 -1.699 1.00 0.36 C ATOM 482 CD2 LEU A 31 14.776 -3.125 -3.140 1.00 0.40 C ATOM 0 H LEU A 31 12.436 -2.385 -5.362 1.00 0.43 H new ATOM 0 HA LEU A 31 13.582 -4.887 -4.650 1.00 0.36 H new ATOM 0 HB2 LEU A 31 11.336 -3.391 -3.222 1.00 0.21 H new ATOM 0 HB3 LEU A 31 12.485 -4.497 -2.497 1.00 0.21 H new ATOM 0 HG LEU A 31 13.191 -1.847 -3.847 1.00 0.31 H new ATOM 0 HD11 LEU A 31 13.795 -1.143 -1.548 1.00 0.36 H new ATOM 0 HD12 LEU A 31 12.075 -1.591 -1.648 1.00 0.36 H new ATOM 0 HD13 LEU A 31 13.247 -2.717 -0.922 1.00 0.36 H new ATOM 0 HD21 LEU A 31 15.474 -2.302 -2.988 1.00 0.40 H new ATOM 0 HD22 LEU A 31 14.925 -3.875 -2.364 1.00 0.40 H new ATOM 0 HD23 LEU A 31 14.952 -3.574 -4.117 1.00 0.40 H new ATOM 494 N THR A 32 11.249 -6.296 -4.023 1.00 0.50 N ATOM 495 CA THR A 32 10.190 -7.322 -4.246 1.00 0.36 C ATOM 496 C THR A 32 9.450 -7.584 -2.933 1.00 0.24 C ATOM 497 O THR A 32 10.013 -8.087 -1.981 1.00 0.18 O ATOM 498 CB THR A 32 10.835 -8.622 -4.735 1.00 0.45 C ATOM 499 OG1 THR A 32 12.098 -8.787 -4.104 1.00 0.84 O ATOM 500 CG2 THR A 32 11.025 -8.561 -6.251 1.00 0.44 C ATOM 0 H THR A 32 11.721 -6.351 -3.121 1.00 0.50 H new ATOM 0 HA THR A 32 9.485 -6.961 -4.995 1.00 0.36 H new ATOM 0 HB THR A 32 10.190 -9.465 -4.486 1.00 0.45 H new ATOM 0 HG1 THR A 32 12.004 -8.636 -3.140 1.00 0.84 H new ATOM 0 HG21 THR A 32 11.484 -9.487 -6.598 1.00 0.44 H new ATOM 0 HG22 THR A 32 10.056 -8.433 -6.734 1.00 0.44 H new ATOM 0 HG23 THR A 32 11.670 -7.719 -6.503 1.00 0.44 H new ATOM 508 N VAL A 33 8.190 -7.245 -2.875 1.00 0.24 N ATOM 509 CA VAL A 33 7.412 -7.472 -1.624 1.00 0.20 C ATOM 510 C VAL A 33 6.697 -8.822 -1.706 1.00 0.11 C ATOM 511 O VAL A 33 6.877 -9.575 -2.643 1.00 0.23 O ATOM 512 CB VAL A 33 6.380 -6.357 -1.456 1.00 0.31 C ATOM 513 CG1 VAL A 33 7.012 -5.015 -1.828 1.00 0.34 C ATOM 514 CG2 VAL A 33 5.185 -6.628 -2.374 1.00 0.36 C ATOM 0 H VAL A 33 7.666 -6.821 -3.640 1.00 0.24 H new ATOM 0 HA VAL A 33 8.089 -7.471 -0.770 1.00 0.20 H new ATOM 0 HB VAL A 33 6.045 -6.326 -0.419 1.00 0.31 H new ATOM 0 HG11 VAL A 33 6.276 -4.220 -1.708 1.00 0.34 H new ATOM 0 HG12 VAL A 33 7.864 -4.821 -1.177 1.00 0.34 H new ATOM 0 HG13 VAL A 33 7.347 -5.046 -2.865 1.00 0.34 H new ATOM 0 HG21 VAL A 33 4.448 -5.834 -2.256 1.00 0.36 H new ATOM 0 HG22 VAL A 33 5.522 -6.659 -3.410 1.00 0.36 H new ATOM 0 HG23 VAL A 33 4.733 -7.584 -2.111 1.00 0.36 H new ATOM 524 N THR A 34 5.888 -9.135 -0.731 1.00 0.10 N ATOM 525 CA THR A 34 5.161 -10.436 -0.754 1.00 0.17 C ATOM 526 C THR A 34 3.797 -10.247 -1.418 1.00 0.19 C ATOM 527 O THR A 34 3.144 -9.237 -1.242 1.00 0.33 O ATOM 528 CB THR A 34 4.967 -10.936 0.680 1.00 0.29 C ATOM 529 OG1 THR A 34 6.207 -11.408 1.187 1.00 0.48 O ATOM 530 CG2 THR A 34 3.943 -12.071 0.691 1.00 0.37 C ATOM 0 H THR A 34 5.699 -8.546 0.080 1.00 0.10 H new ATOM 0 HA THR A 34 5.740 -11.167 -1.319 1.00 0.17 H new ATOM 0 HB THR A 34 4.607 -10.119 1.305 1.00 0.29 H new ATOM 0 HG1 THR A 34 6.085 -11.727 2.106 1.00 0.48 H new ATOM 0 HG21 THR A 34 3.805 -12.427 1.712 1.00 0.37 H new ATOM 0 HG22 THR A 34 2.992 -11.707 0.302 1.00 0.37 H new ATOM 0 HG23 THR A 34 4.301 -12.890 0.067 1.00 0.37 H new ATOM 538 N ASP A 35 3.358 -11.212 -2.179 1.00 0.25 N ATOM 539 CA ASP A 35 2.035 -11.089 -2.852 1.00 0.26 C ATOM 540 C ASP A 35 0.928 -11.486 -1.874 1.00 0.20 C ATOM 541 O ASP A 35 1.184 -12.070 -0.839 1.00 0.24 O ATOM 542 CB ASP A 35 1.997 -12.014 -4.072 1.00 0.32 C ATOM 543 CG ASP A 35 0.900 -11.556 -5.037 1.00 0.24 C ATOM 544 OD1 ASP A 35 0.202 -10.612 -4.707 1.00 0.91 O ATOM 545 OD2 ASP A 35 0.777 -12.160 -6.090 1.00 1.40 O ATOM 0 H ASP A 35 3.859 -12.081 -2.364 1.00 0.25 H new ATOM 0 HA ASP A 35 1.883 -10.058 -3.173 1.00 0.26 H new ATOM 0 HB2 ASP A 35 2.964 -12.006 -4.576 1.00 0.32 H new ATOM 0 HB3 ASP A 35 1.811 -13.040 -3.756 1.00 0.32 H new ATOM 550 N ILE A 36 -0.300 -11.174 -2.191 1.00 0.47 N ATOM 551 CA ILE A 36 -1.423 -11.533 -1.278 1.00 0.44 C ATOM 552 C ILE A 36 -2.661 -11.888 -2.105 1.00 0.42 C ATOM 553 O ILE A 36 -3.439 -12.744 -1.737 1.00 0.48 O ATOM 554 CB ILE A 36 -1.741 -10.345 -0.368 1.00 0.34 C ATOM 555 CG1 ILE A 36 -1.747 -9.057 -1.197 1.00 0.43 C ATOM 556 CG2 ILE A 36 -0.676 -10.240 0.725 1.00 0.71 C ATOM 557 CD1 ILE A 36 -2.249 -7.897 -0.334 1.00 0.27 C ATOM 0 H ILE A 36 -0.574 -10.686 -3.044 1.00 0.47 H new ATOM 0 HA ILE A 36 -1.135 -12.390 -0.669 1.00 0.44 H new ATOM 0 HB ILE A 36 -2.719 -10.490 0.090 1.00 0.34 H new ATOM 0 HG12 ILE A 36 -0.743 -8.843 -1.564 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -2.387 -9.177 -2.071 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -0.902 -9.394 1.373 1.00 0.71 H new ATOM 0 HG22 ILE A 36 -0.668 -11.157 1.314 1.00 0.71 H new ATOM 0 HG23 ILE A 36 0.302 -10.095 0.267 1.00 0.71 H new ATOM 0 HD11 ILE A 36 -2.253 -6.980 -0.924 1.00 0.27 H new ATOM 0 HD12 ILE A 36 -3.260 -8.111 0.011 1.00 0.27 H new ATOM 0 HD13 ILE A 36 -1.591 -7.772 0.526 1.00 0.27 H new ATOM 569 N PHE A 37 -2.848 -11.237 -3.221 1.00 0.39 N ATOM 570 CA PHE A 37 -4.035 -11.539 -4.069 1.00 0.49 C ATOM 571 C PHE A 37 -3.815 -12.863 -4.803 1.00 0.66 C ATOM 572 O PHE A 37 -4.670 -13.333 -5.526 1.00 0.83 O ATOM 573 CB PHE A 37 -4.232 -10.416 -5.090 1.00 0.50 C ATOM 574 CG PHE A 37 -4.209 -9.083 -4.381 1.00 0.37 C ATOM 575 CD1 PHE A 37 -5.318 -8.666 -3.638 1.00 0.38 C ATOM 576 CD2 PHE A 37 -3.076 -8.263 -4.470 1.00 0.28 C ATOM 577 CE1 PHE A 37 -5.297 -7.429 -2.981 1.00 0.35 C ATOM 578 CE2 PHE A 37 -3.055 -7.027 -3.813 1.00 0.27 C ATOM 579 CZ PHE A 37 -4.165 -6.610 -3.070 1.00 0.33 C ATOM 0 H PHE A 37 -2.230 -10.510 -3.581 1.00 0.39 H new ATOM 0 HA PHE A 37 -4.921 -11.616 -3.439 1.00 0.49 H new ATOM 0 HB2 PHE A 37 -3.445 -10.453 -5.844 1.00 0.50 H new ATOM 0 HB3 PHE A 37 -5.180 -10.546 -5.612 1.00 0.50 H new ATOM 0 HD1 PHE A 37 -6.191 -9.298 -3.571 1.00 0.38 H new ATOM 0 HD2 PHE A 37 -2.220 -8.584 -5.045 1.00 0.28 H new ATOM 0 HE1 PHE A 37 -6.153 -7.107 -2.406 1.00 0.35 H new ATOM 0 HE2 PHE A 37 -2.182 -6.395 -3.880 1.00 0.27 H new ATOM 0 HZ PHE A 37 -4.148 -5.656 -2.565 1.00 0.33 H new ATOM 589 N ALA A 38 -2.673 -13.470 -4.622 1.00 0.66 N ATOM 590 CA ALA A 38 -2.398 -14.763 -5.310 1.00 0.82 C ATOM 591 C ALA A 38 -2.791 -15.922 -4.392 1.00 0.75 C ATOM 592 O ALA A 38 -2.581 -17.076 -4.709 1.00 0.95 O ATOM 593 CB ALA A 38 -0.907 -14.858 -5.641 1.00 0.95 C ATOM 0 H ALA A 38 -1.919 -13.126 -4.027 1.00 0.66 H new ATOM 0 HA ALA A 38 -2.979 -14.815 -6.231 1.00 0.82 H new ATOM 0 HB1 ALA A 38 -0.706 -15.804 -6.144 1.00 0.95 H new ATOM 0 HB2 ALA A 38 -0.626 -14.032 -6.295 1.00 0.95 H new ATOM 0 HB3 ALA A 38 -0.326 -14.806 -4.720 1.00 0.95 H new ATOM 599 N ALA A 39 -3.362 -15.626 -3.257 1.00 0.47 N ATOM 600 CA ALA A 39 -3.768 -16.712 -2.322 1.00 0.39 C ATOM 601 C ALA A 39 -5.024 -16.286 -1.559 1.00 0.31 C ATOM 602 O ALA A 39 -5.460 -16.952 -0.641 1.00 0.81 O ATOM 603 CB ALA A 39 -2.635 -16.979 -1.328 1.00 0.36 C ATOM 0 H ALA A 39 -3.565 -14.679 -2.937 1.00 0.47 H new ATOM 0 HA ALA A 39 -3.977 -17.619 -2.889 1.00 0.39 H new ATOM 0 HB1 ALA A 39 -2.931 -17.774 -0.643 1.00 0.36 H new ATOM 0 HB2 ALA A 39 -1.739 -17.282 -1.870 1.00 0.36 H new ATOM 0 HB3 ALA A 39 -2.426 -16.071 -0.762 1.00 0.36 H new ATOM 609 N SER A 40 -5.609 -15.181 -1.931 1.00 0.62 N ATOM 610 CA SER A 40 -6.837 -14.714 -1.226 1.00 0.66 C ATOM 611 C SER A 40 -8.019 -15.602 -1.621 1.00 0.76 C ATOM 612 O SER A 40 -8.922 -15.176 -2.314 1.00 1.44 O ATOM 613 CB SER A 40 -7.132 -13.267 -1.620 1.00 0.94 C ATOM 614 OG SER A 40 -6.333 -12.394 -0.831 1.00 2.27 O ATOM 0 H SER A 40 -5.290 -14.581 -2.692 1.00 0.62 H new ATOM 0 HA SER A 40 -6.682 -14.772 -0.149 1.00 0.66 H new ATOM 0 HB2 SER A 40 -6.920 -13.116 -2.678 1.00 0.94 H new ATOM 0 HB3 SER A 40 -8.189 -13.046 -1.471 1.00 0.94 H new ATOM 0 HG SER A 40 -5.396 -12.470 -1.106 1.00 2.27 H new ATOM 620 N LYS A 41 -8.022 -16.832 -1.186 1.00 0.59 N ATOM 621 CA LYS A 41 -9.147 -17.744 -1.536 1.00 0.76 C ATOM 622 C LYS A 41 -10.262 -17.602 -0.498 1.00 0.57 C ATOM 623 O LYS A 41 -11.311 -17.055 -0.771 1.00 0.52 O ATOM 624 CB LYS A 41 -8.645 -19.190 -1.553 1.00 1.06 C ATOM 625 CG LYS A 41 -7.667 -19.377 -2.714 1.00 1.57 C ATOM 626 CD LYS A 41 -6.650 -20.463 -2.355 1.00 1.50 C ATOM 627 CE LYS A 41 -7.383 -21.772 -2.059 1.00 1.54 C ATOM 628 NZ LYS A 41 -8.367 -22.047 -3.143 1.00 3.07 N ATOM 0 H LYS A 41 -7.294 -17.245 -0.603 1.00 0.59 H new ATOM 0 HA LYS A 41 -9.534 -17.482 -2.521 1.00 0.76 H new ATOM 0 HB2 LYS A 41 -8.155 -19.427 -0.609 1.00 1.06 H new ATOM 0 HB3 LYS A 41 -9.485 -19.877 -1.657 1.00 1.06 H new ATOM 0 HG2 LYS A 41 -8.208 -19.655 -3.618 1.00 1.57 H new ATOM 0 HG3 LYS A 41 -7.154 -18.439 -2.926 1.00 1.57 H new ATOM 0 HD2 LYS A 41 -5.948 -20.605 -3.177 1.00 1.50 H new ATOM 0 HD3 LYS A 41 -6.066 -20.157 -1.487 1.00 1.50 H new ATOM 0 HE2 LYS A 41 -6.669 -22.592 -1.985 1.00 1.54 H new ATOM 0 HE3 LYS A 41 -7.893 -21.706 -1.098 1.00 1.54 H new ATOM 0 HZ1 LYS A 41 -8.538 -23.071 -3.205 1.00 3.07 H new ATOM 0 HZ2 LYS A 41 -9.261 -21.559 -2.932 1.00 3.07 H new ATOM 0 HZ3 LYS A 41 -7.990 -21.703 -4.049 1.00 3.07 H new ATOM 642 N ASP A 42 -10.043 -18.094 0.692 1.00 0.60 N ATOM 643 CA ASP A 42 -11.091 -17.987 1.745 1.00 0.59 C ATOM 644 C ASP A 42 -10.916 -16.672 2.507 1.00 0.56 C ATOM 645 O ASP A 42 -11.516 -16.458 3.541 1.00 0.67 O ATOM 646 CB ASP A 42 -10.957 -19.161 2.718 1.00 0.81 C ATOM 647 CG ASP A 42 -11.348 -20.459 2.008 1.00 1.64 C ATOM 648 OD1 ASP A 42 -11.438 -20.442 0.792 1.00 2.43 O ATOM 649 OD2 ASP A 42 -11.549 -21.448 2.694 1.00 2.16 O ATOM 0 H ASP A 42 -9.185 -18.564 0.979 1.00 0.60 H new ATOM 0 HA ASP A 42 -12.077 -18.010 1.280 1.00 0.59 H new ATOM 0 HB2 ASP A 42 -9.933 -19.229 3.084 1.00 0.81 H new ATOM 0 HB3 ASP A 42 -11.596 -19.002 3.587 1.00 0.81 H new ATOM 654 N THR A 43 -10.098 -15.788 2.004 1.00 0.51 N ATOM 655 CA THR A 43 -9.887 -14.488 2.700 1.00 0.47 C ATOM 656 C THR A 43 -10.860 -13.448 2.144 1.00 0.45 C ATOM 657 O THR A 43 -11.027 -13.317 0.947 1.00 0.55 O ATOM 658 CB THR A 43 -8.449 -14.016 2.472 1.00 0.45 C ATOM 659 OG1 THR A 43 -8.295 -13.611 1.119 1.00 0.51 O ATOM 660 CG2 THR A 43 -7.479 -15.157 2.779 1.00 0.82 C ATOM 0 H THR A 43 -9.567 -15.910 1.142 1.00 0.51 H new ATOM 0 HA THR A 43 -10.063 -14.614 3.768 1.00 0.47 H new ATOM 0 HB THR A 43 -8.234 -13.175 3.131 1.00 0.45 H new ATOM 0 HG1 THR A 43 -7.618 -12.905 1.064 1.00 0.51 H new ATOM 0 HG21 THR A 43 -6.456 -14.819 2.616 1.00 0.82 H new ATOM 0 HG22 THR A 43 -7.598 -15.466 3.817 1.00 0.82 H new ATOM 0 HG23 THR A 43 -7.691 -16.001 2.123 1.00 0.82 H new ATOM 668 N THR A 44 -11.504 -12.705 3.002 1.00 0.36 N ATOM 669 CA THR A 44 -12.466 -11.674 2.521 1.00 0.34 C ATOM 670 C THR A 44 -11.733 -10.344 2.327 1.00 0.26 C ATOM 671 O THR A 44 -10.564 -10.219 2.631 1.00 0.22 O ATOM 672 CB THR A 44 -13.582 -11.496 3.553 1.00 0.36 C ATOM 673 OG1 THR A 44 -13.009 -11.252 4.830 1.00 0.44 O ATOM 674 CG2 THR A 44 -14.435 -12.764 3.609 1.00 0.83 C ATOM 0 H THR A 44 -11.405 -12.768 4.015 1.00 0.36 H new ATOM 0 HA THR A 44 -12.897 -11.993 1.572 1.00 0.34 H new ATOM 0 HB THR A 44 -14.209 -10.651 3.268 1.00 0.36 H new ATOM 0 HG1 THR A 44 -13.722 -11.136 5.492 1.00 0.44 H new ATOM 0 HG21 THR A 44 -15.229 -12.636 4.344 1.00 0.83 H new ATOM 0 HG22 THR A 44 -14.874 -12.951 2.629 1.00 0.83 H new ATOM 0 HG23 THR A 44 -13.810 -13.611 3.894 1.00 0.83 H new ATOM 682 N GLU A 45 -12.412 -9.350 1.824 1.00 0.38 N ATOM 683 CA GLU A 45 -11.754 -8.030 1.612 1.00 0.31 C ATOM 684 C GLU A 45 -11.158 -7.539 2.933 1.00 0.25 C ATOM 685 O GLU A 45 -10.141 -6.873 2.957 1.00 0.13 O ATOM 686 CB GLU A 45 -12.788 -7.019 1.112 1.00 0.37 C ATOM 687 CG GLU A 45 -13.792 -7.725 0.197 1.00 0.57 C ATOM 688 CD GLU A 45 -13.051 -8.712 -0.707 1.00 2.54 C ATOM 689 OE1 GLU A 45 -12.133 -8.288 -1.388 1.00 3.57 O ATOM 690 OE2 GLU A 45 -13.417 -9.877 -0.702 1.00 3.33 O ATOM 0 H GLU A 45 -13.394 -9.395 1.551 1.00 0.38 H new ATOM 0 HA GLU A 45 -10.961 -8.134 0.872 1.00 0.31 H new ATOM 0 HB2 GLU A 45 -13.306 -6.565 1.957 1.00 0.37 H new ATOM 0 HB3 GLU A 45 -12.292 -6.213 0.572 1.00 0.37 H new ATOM 0 HG2 GLU A 45 -14.537 -8.251 0.794 1.00 0.57 H new ATOM 0 HG3 GLU A 45 -14.327 -6.993 -0.408 1.00 0.57 H new ATOM 697 N LYS A 46 -11.783 -7.860 4.033 1.00 0.34 N ATOM 698 CA LYS A 46 -11.252 -7.411 5.349 1.00 0.34 C ATOM 699 C LYS A 46 -9.811 -7.901 5.514 1.00 0.22 C ATOM 700 O LYS A 46 -8.879 -7.122 5.535 1.00 0.25 O ATOM 701 CB LYS A 46 -12.117 -7.988 6.472 1.00 0.48 C ATOM 702 CG LYS A 46 -13.389 -7.151 6.618 1.00 0.35 C ATOM 703 CD LYS A 46 -13.206 -6.136 7.749 1.00 0.26 C ATOM 704 CE LYS A 46 -14.389 -5.166 7.761 1.00 0.62 C ATOM 705 NZ LYS A 46 -14.952 -5.088 9.139 1.00 0.97 N ATOM 0 H LYS A 46 -12.638 -8.414 4.076 1.00 0.34 H new ATOM 0 HA LYS A 46 -11.273 -6.322 5.395 1.00 0.34 H new ATOM 0 HB2 LYS A 46 -12.374 -9.024 6.252 1.00 0.48 H new ATOM 0 HB3 LYS A 46 -11.561 -7.990 7.409 1.00 0.48 H new ATOM 0 HG2 LYS A 46 -13.606 -6.634 5.683 1.00 0.35 H new ATOM 0 HG3 LYS A 46 -14.240 -7.798 6.830 1.00 0.35 H new ATOM 0 HD2 LYS A 46 -13.135 -6.652 8.707 1.00 0.26 H new ATOM 0 HD3 LYS A 46 -12.274 -5.588 7.613 1.00 0.26 H new ATOM 0 HE2 LYS A 46 -14.067 -4.178 7.432 1.00 0.62 H new ATOM 0 HE3 LYS A 46 -15.155 -5.501 7.062 1.00 0.62 H new ATOM 0 HZ1 LYS A 46 -15.756 -4.429 9.149 1.00 0.97 H new ATOM 0 HZ2 LYS A 46 -15.274 -6.031 9.436 1.00 0.97 H new ATOM 0 HZ3 LYS A 46 -14.219 -4.749 9.795 1.00 0.97 H new ATOM 719 N GLU A 47 -9.622 -9.186 5.631 1.00 0.15 N ATOM 720 CA GLU A 47 -8.242 -9.725 5.793 1.00 0.09 C ATOM 721 C GLU A 47 -7.365 -9.243 4.635 1.00 0.10 C ATOM 722 O GLU A 47 -6.166 -9.102 4.770 1.00 0.26 O ATOM 723 CB GLU A 47 -8.289 -11.254 5.796 1.00 0.19 C ATOM 724 CG GLU A 47 -8.727 -11.750 7.176 1.00 0.30 C ATOM 725 CD GLU A 47 -9.941 -10.946 7.645 1.00 1.62 C ATOM 726 OE1 GLU A 47 -11.013 -11.158 7.102 1.00 2.55 O ATOM 727 OE2 GLU A 47 -9.778 -10.132 8.540 1.00 2.37 O ATOM 0 H GLU A 47 -10.363 -9.887 5.621 1.00 0.15 H new ATOM 0 HA GLU A 47 -7.823 -9.372 6.736 1.00 0.09 H new ATOM 0 HB2 GLU A 47 -8.983 -11.608 5.034 1.00 0.19 H new ATOM 0 HB3 GLU A 47 -7.308 -11.659 5.547 1.00 0.19 H new ATOM 0 HG2 GLU A 47 -8.975 -12.810 7.131 1.00 0.30 H new ATOM 0 HG3 GLU A 47 -7.909 -11.644 7.889 1.00 0.30 H new ATOM 734 N THR A 48 -7.954 -8.992 3.498 1.00 0.18 N ATOM 735 CA THR A 48 -7.153 -8.520 2.333 1.00 0.15 C ATOM 736 C THR A 48 -6.478 -7.192 2.682 1.00 0.14 C ATOM 737 O THR A 48 -5.276 -7.053 2.587 1.00 0.18 O ATOM 738 CB THR A 48 -8.074 -8.325 1.126 1.00 0.15 C ATOM 739 OG1 THR A 48 -8.990 -9.408 1.052 1.00 0.15 O ATOM 740 CG2 THR A 48 -7.237 -8.272 -0.152 1.00 0.17 C ATOM 0 H THR A 48 -8.954 -9.093 3.325 1.00 0.18 H new ATOM 0 HA THR A 48 -6.391 -9.261 2.091 1.00 0.15 H new ATOM 0 HB THR A 48 -8.625 -7.391 1.235 1.00 0.15 H new ATOM 0 HG1 THR A 48 -9.592 -9.381 1.825 1.00 0.15 H new ATOM 0 HG21 THR A 48 -7.893 -8.133 -1.011 1.00 0.17 H new ATOM 0 HG22 THR A 48 -6.535 -7.440 -0.093 1.00 0.17 H new ATOM 0 HG23 THR A 48 -6.685 -9.205 -0.264 1.00 0.17 H new ATOM 748 N PHE A 49 -7.244 -6.214 3.082 1.00 0.12 N ATOM 749 CA PHE A 49 -6.645 -4.896 3.435 1.00 0.13 C ATOM 750 C PHE A 49 -5.575 -5.092 4.511 1.00 0.11 C ATOM 751 O PHE A 49 -4.524 -4.485 4.472 1.00 0.20 O ATOM 752 CB PHE A 49 -7.737 -3.965 3.966 1.00 0.20 C ATOM 753 CG PHE A 49 -8.764 -3.723 2.885 1.00 0.16 C ATOM 754 CD1 PHE A 49 -8.407 -3.024 1.726 1.00 0.15 C ATOM 755 CD2 PHE A 49 -10.073 -4.198 3.041 1.00 0.16 C ATOM 756 CE1 PHE A 49 -9.357 -2.799 0.723 1.00 0.14 C ATOM 757 CE2 PHE A 49 -11.023 -3.972 2.038 1.00 0.13 C ATOM 758 CZ PHE A 49 -10.665 -3.273 0.879 1.00 0.12 C ATOM 0 H PHE A 49 -8.258 -6.271 3.180 1.00 0.12 H new ATOM 0 HA PHE A 49 -6.191 -4.455 2.548 1.00 0.13 H new ATOM 0 HB2 PHE A 49 -8.213 -4.407 4.841 1.00 0.20 H new ATOM 0 HB3 PHE A 49 -7.299 -3.019 4.285 1.00 0.20 H new ATOM 0 HD1 PHE A 49 -7.398 -2.658 1.606 1.00 0.15 H new ATOM 0 HD2 PHE A 49 -10.349 -4.738 3.935 1.00 0.16 H new ATOM 0 HE1 PHE A 49 -9.081 -2.260 -0.171 1.00 0.14 H new ATOM 0 HE2 PHE A 49 -12.032 -4.337 2.158 1.00 0.13 H new ATOM 0 HZ PHE A 49 -11.398 -3.099 0.105 1.00 0.12 H new ATOM 768 N CYS A 50 -5.834 -5.936 5.471 1.00 0.11 N ATOM 769 CA CYS A 50 -4.832 -6.169 6.549 1.00 0.08 C ATOM 770 C CYS A 50 -3.565 -6.780 5.946 1.00 0.10 C ATOM 771 O CYS A 50 -2.481 -6.250 6.088 1.00 0.15 O ATOM 772 CB CYS A 50 -5.415 -7.129 7.588 1.00 0.13 C ATOM 773 SG CYS A 50 -4.066 -7.956 8.469 1.00 0.08 S ATOM 0 H CYS A 50 -6.696 -6.475 5.556 1.00 0.11 H new ATOM 0 HA CYS A 50 -4.586 -5.221 7.027 1.00 0.08 H new ATOM 0 HB2 CYS A 50 -6.042 -6.583 8.292 1.00 0.13 H new ATOM 0 HB3 CYS A 50 -6.052 -7.867 7.100 1.00 0.13 H new ATOM 778 N ARG A 51 -3.692 -7.890 5.273 1.00 0.13 N ATOM 779 CA ARG A 51 -2.494 -8.532 4.662 1.00 0.17 C ATOM 780 C ARG A 51 -1.699 -7.486 3.877 1.00 0.13 C ATOM 781 O ARG A 51 -0.490 -7.415 3.968 1.00 0.16 O ATOM 782 CB ARG A 51 -2.940 -9.650 3.716 1.00 0.23 C ATOM 783 CG ARG A 51 -3.782 -10.667 4.489 1.00 0.54 C ATOM 784 CD ARG A 51 -3.041 -12.004 4.548 1.00 0.90 C ATOM 785 NE ARG A 51 -2.836 -12.519 3.165 1.00 0.75 N ATOM 786 CZ ARG A 51 -1.980 -13.480 2.946 1.00 1.75 C ATOM 787 NH1 ARG A 51 -1.303 -13.989 3.939 1.00 3.14 N ATOM 788 NH2 ARG A 51 -1.800 -13.931 1.735 1.00 2.11 N ATOM 0 H ARG A 51 -4.573 -8.380 5.120 1.00 0.13 H new ATOM 0 HA ARG A 51 -1.866 -8.951 5.448 1.00 0.17 H new ATOM 0 HB2 ARG A 51 -3.519 -9.234 2.892 1.00 0.23 H new ATOM 0 HB3 ARG A 51 -2.070 -10.140 3.279 1.00 0.23 H new ATOM 0 HG2 ARG A 51 -3.977 -10.302 5.498 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -4.750 -10.797 4.005 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -2.080 -11.878 5.047 1.00 0.90 H new ATOM 0 HD3 ARG A 51 -3.613 -12.723 5.135 1.00 0.90 H new ATOM 0 HE ARG A 51 -3.365 -12.121 2.389 1.00 0.75 H new ATOM 0 HH11 ARG A 51 -1.443 -13.636 4.886 1.00 3.14 H new ATOM 0 HH12 ARG A 51 -0.634 -14.740 3.768 1.00 3.14 H new ATOM 0 HH21 ARG A 51 -2.328 -13.533 0.959 1.00 2.11 H new ATOM 0 HH22 ARG A 51 -1.131 -14.682 1.565 1.00 2.11 H new ATOM 802 N ALA A 52 -2.370 -6.674 3.107 1.00 0.08 N ATOM 803 CA ALA A 52 -1.652 -5.633 2.318 1.00 0.07 C ATOM 804 C ALA A 52 -0.914 -4.691 3.271 1.00 0.11 C ATOM 805 O ALA A 52 0.128 -4.157 2.948 1.00 0.23 O ATOM 806 CB ALA A 52 -2.660 -4.835 1.490 1.00 0.09 C ATOM 0 H ALA A 52 -3.383 -6.686 2.990 1.00 0.08 H new ATOM 0 HA ALA A 52 -0.934 -6.112 1.652 1.00 0.07 H new ATOM 0 HB1 ALA A 52 -2.135 -4.074 0.913 1.00 0.09 H new ATOM 0 HB2 ALA A 52 -3.186 -5.506 0.811 1.00 0.09 H new ATOM 0 HB3 ALA A 52 -3.378 -4.355 2.155 1.00 0.09 H new ATOM 812 N ALA A 53 -1.446 -4.482 4.444 1.00 0.34 N ATOM 813 CA ALA A 53 -0.775 -3.574 5.416 1.00 0.37 C ATOM 814 C ALA A 53 0.469 -4.262 5.981 1.00 0.31 C ATOM 815 O ALA A 53 1.547 -3.703 5.993 1.00 0.26 O ATOM 816 CB ALA A 53 -1.739 -3.245 6.557 1.00 0.47 C ATOM 0 H ALA A 53 -2.317 -4.901 4.771 1.00 0.34 H new ATOM 0 HA ALA A 53 -0.483 -2.653 4.911 1.00 0.37 H new ATOM 0 HB1 ALA A 53 -1.248 -2.581 7.268 1.00 0.47 H new ATOM 0 HB2 ALA A 53 -2.625 -2.754 6.155 1.00 0.47 H new ATOM 0 HB3 ALA A 53 -2.032 -4.165 7.063 1.00 0.47 H new ATOM 822 N THR A 54 0.329 -5.472 6.449 1.00 0.34 N ATOM 823 CA THR A 54 1.504 -6.194 7.011 1.00 0.30 C ATOM 824 C THR A 54 2.684 -6.076 6.045 1.00 0.25 C ATOM 825 O THR A 54 3.807 -5.842 6.446 1.00 0.23 O ATOM 826 CB THR A 54 1.150 -7.670 7.208 1.00 0.34 C ATOM 827 OG1 THR A 54 -0.064 -7.771 7.939 1.00 0.39 O ATOM 828 CG2 THR A 54 2.273 -8.369 7.979 1.00 0.32 C ATOM 0 H THR A 54 -0.549 -5.991 6.466 1.00 0.34 H new ATOM 0 HA THR A 54 1.775 -5.755 7.971 1.00 0.30 H new ATOM 0 HB THR A 54 1.029 -8.147 6.236 1.00 0.34 H new ATOM 0 HG1 THR A 54 -0.293 -8.716 8.064 1.00 0.39 H new ATOM 0 HG21 THR A 54 2.019 -9.420 8.118 1.00 0.32 H new ATOM 0 HG22 THR A 54 3.203 -8.292 7.416 1.00 0.32 H new ATOM 0 HG23 THR A 54 2.397 -7.894 8.952 1.00 0.32 H new ATOM 836 N VAL A 55 2.439 -6.236 4.773 1.00 0.24 N ATOM 837 CA VAL A 55 3.547 -6.131 3.782 1.00 0.21 C ATOM 838 C VAL A 55 4.087 -4.700 3.772 1.00 0.20 C ATOM 839 O VAL A 55 5.218 -4.450 4.140 1.00 0.19 O ATOM 840 CB VAL A 55 3.020 -6.487 2.391 1.00 0.26 C ATOM 841 CG1 VAL A 55 4.149 -6.352 1.367 1.00 0.22 C ATOM 842 CG2 VAL A 55 2.507 -7.929 2.394 1.00 0.27 C ATOM 0 H VAL A 55 1.520 -6.435 4.378 1.00 0.24 H new ATOM 0 HA VAL A 55 4.347 -6.819 4.055 1.00 0.21 H new ATOM 0 HB VAL A 55 2.207 -5.811 2.127 1.00 0.26 H new ATOM 0 HG11 VAL A 55 3.773 -6.606 0.376 1.00 0.22 H new ATOM 0 HG12 VAL A 55 4.517 -5.326 1.364 1.00 0.22 H new ATOM 0 HG13 VAL A 55 4.962 -7.028 1.631 1.00 0.22 H new ATOM 0 HG21 VAL A 55 2.131 -8.184 1.403 1.00 0.27 H new ATOM 0 HG22 VAL A 55 3.321 -8.604 2.658 1.00 0.27 H new ATOM 0 HG23 VAL A 55 1.703 -8.028 3.123 1.00 0.27 H new ATOM 852 N LEU A 56 3.288 -3.756 3.356 1.00 0.21 N ATOM 853 CA LEU A 56 3.759 -2.344 3.326 1.00 0.21 C ATOM 854 C LEU A 56 4.430 -2.010 4.660 1.00 0.19 C ATOM 855 O LEU A 56 5.297 -1.165 4.737 1.00 0.21 O ATOM 856 CB LEU A 56 2.565 -1.406 3.108 1.00 0.23 C ATOM 857 CG LEU A 56 1.831 -1.778 1.813 1.00 0.30 C ATOM 858 CD1 LEU A 56 0.409 -1.216 1.858 1.00 0.66 C ATOM 859 CD2 LEU A 56 2.563 -1.187 0.602 1.00 0.31 C ATOM 0 H LEU A 56 2.331 -3.902 3.036 1.00 0.21 H new ATOM 0 HA LEU A 56 4.472 -2.215 2.512 1.00 0.21 H new ATOM 0 HB2 LEU A 56 1.881 -1.472 3.954 1.00 0.23 H new ATOM 0 HB3 LEU A 56 2.909 -0.373 3.056 1.00 0.23 H new ATOM 0 HG LEU A 56 1.802 -2.864 1.722 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -0.115 -1.479 0.939 1.00 0.66 H new ATOM 0 HD12 LEU A 56 -0.122 -1.637 2.712 1.00 0.66 H new ATOM 0 HD13 LEU A 56 0.449 -0.131 1.955 1.00 0.66 H new ATOM 0 HD21 LEU A 56 2.033 -1.458 -0.311 1.00 0.31 H new ATOM 0 HD22 LEU A 56 2.599 -0.101 0.693 1.00 0.31 H new ATOM 0 HD23 LEU A 56 3.578 -1.581 0.563 1.00 0.31 H new ATOM 871 N ARG A 57 4.034 -2.671 5.712 1.00 0.20 N ATOM 872 CA ARG A 57 4.648 -2.390 7.040 1.00 0.19 C ATOM 873 C ARG A 57 6.132 -2.766 7.012 1.00 0.14 C ATOM 874 O ARG A 57 6.996 -1.920 7.117 1.00 0.16 O ATOM 875 CB ARG A 57 3.935 -3.214 8.115 1.00 0.19 C ATOM 876 CG ARG A 57 3.195 -2.275 9.070 1.00 0.98 C ATOM 877 CD ARG A 57 2.332 -3.098 10.029 1.00 1.28 C ATOM 878 NE ARG A 57 2.135 -2.338 11.296 1.00 1.75 N ATOM 879 CZ ARG A 57 1.203 -2.699 12.135 1.00 2.23 C ATOM 880 NH1 ARG A 57 0.445 -3.726 11.865 1.00 2.26 N ATOM 881 NH2 ARG A 57 1.031 -2.033 13.244 1.00 2.88 N ATOM 0 H ARG A 57 3.313 -3.392 5.710 1.00 0.20 H new ATOM 0 HA ARG A 57 4.548 -1.328 7.266 1.00 0.19 H new ATOM 0 HB2 ARG A 57 3.232 -3.906 7.651 1.00 0.19 H new ATOM 0 HB3 ARG A 57 4.658 -3.815 8.666 1.00 0.19 H new ATOM 0 HG2 ARG A 57 3.910 -1.674 9.632 1.00 0.98 H new ATOM 0 HG3 ARG A 57 2.571 -1.583 8.505 1.00 0.98 H new ATOM 0 HD2 ARG A 57 1.368 -3.318 9.570 1.00 1.28 H new ATOM 0 HD3 ARG A 57 2.811 -4.055 10.237 1.00 1.28 H new ATOM 0 HE ARG A 57 2.729 -1.536 11.507 1.00 1.75 H new ATOM 0 HH11 ARG A 57 0.581 -4.246 10.998 1.00 2.26 H new ATOM 0 HH12 ARG A 57 -0.284 -4.008 12.521 1.00 2.26 H new ATOM 0 HH21 ARG A 57 1.625 -1.231 13.455 1.00 2.88 H new ATOM 0 HH22 ARG A 57 0.303 -2.315 13.900 1.00 2.88 H new ATOM 895 N GLN A 58 6.434 -4.029 6.877 1.00 0.11 N ATOM 896 CA GLN A 58 7.864 -4.453 6.851 1.00 0.12 C ATOM 897 C GLN A 58 8.567 -3.840 5.636 1.00 0.13 C ATOM 898 O GLN A 58 9.759 -3.994 5.458 1.00 0.20 O ATOM 899 CB GLN A 58 7.944 -5.982 6.780 1.00 0.16 C ATOM 900 CG GLN A 58 7.698 -6.450 5.343 1.00 0.57 C ATOM 901 CD GLN A 58 9.024 -6.474 4.578 1.00 2.02 C ATOM 902 OE1 GLN A 58 10.000 -7.023 5.047 1.00 2.71 O ATOM 903 NE2 GLN A 58 9.098 -5.895 3.410 1.00 3.00 N ATOM 0 H GLN A 58 5.755 -4.784 6.784 1.00 0.11 H new ATOM 0 HA GLN A 58 8.358 -4.107 7.759 1.00 0.12 H new ATOM 0 HB2 GLN A 58 8.923 -6.320 7.119 1.00 0.16 H new ATOM 0 HB3 GLN A 58 7.205 -6.425 7.448 1.00 0.16 H new ATOM 0 HG2 GLN A 58 7.249 -7.443 5.345 1.00 0.57 H new ATOM 0 HG3 GLN A 58 6.993 -5.783 4.848 1.00 0.57 H new ATOM 0 HE21 GLN A 58 8.278 -5.434 3.016 1.00 3.00 H new ATOM 0 HE22 GLN A 58 9.976 -5.904 2.891 1.00 3.00 H new ATOM 912 N PHE A 59 7.843 -3.149 4.798 1.00 0.10 N ATOM 913 CA PHE A 59 8.482 -2.535 3.598 1.00 0.10 C ATOM 914 C PHE A 59 9.145 -1.210 3.982 1.00 0.14 C ATOM 915 O PHE A 59 10.355 -1.098 4.016 1.00 0.15 O ATOM 916 CB PHE A 59 7.425 -2.276 2.524 1.00 0.10 C ATOM 917 CG PHE A 59 8.088 -1.692 1.299 1.00 0.15 C ATOM 918 CD1 PHE A 59 8.629 -2.539 0.324 1.00 0.20 C ATOM 919 CD2 PHE A 59 8.164 -0.303 1.140 1.00 0.29 C ATOM 920 CE1 PHE A 59 9.246 -1.997 -0.810 1.00 0.34 C ATOM 921 CE2 PHE A 59 8.780 0.239 0.006 1.00 0.40 C ATOM 922 CZ PHE A 59 9.322 -0.608 -0.969 1.00 0.42 C ATOM 0 H PHE A 59 6.841 -2.983 4.891 1.00 0.10 H new ATOM 0 HA PHE A 59 9.236 -3.220 3.210 1.00 0.10 H new ATOM 0 HB2 PHE A 59 6.916 -3.205 2.268 1.00 0.10 H new ATOM 0 HB3 PHE A 59 6.666 -1.591 2.902 1.00 0.10 H new ATOM 0 HD1 PHE A 59 8.570 -3.610 0.447 1.00 0.20 H new ATOM 0 HD2 PHE A 59 7.747 0.350 1.892 1.00 0.29 H new ATOM 0 HE1 PHE A 59 9.663 -2.650 -1.562 1.00 0.34 H new ATOM 0 HE2 PHE A 59 8.837 1.310 -0.117 1.00 0.40 H new ATOM 0 HZ PHE A 59 9.798 -0.190 -1.843 1.00 0.42 H new ATOM 932 N TYR A 60 8.366 -0.199 4.258 1.00 0.17 N ATOM 933 CA TYR A 60 8.959 1.120 4.623 1.00 0.22 C ATOM 934 C TYR A 60 9.476 1.084 6.064 1.00 0.30 C ATOM 935 O TYR A 60 10.043 2.042 6.549 1.00 0.40 O ATOM 936 CB TYR A 60 7.899 2.218 4.488 1.00 0.24 C ATOM 937 CG TYR A 60 6.807 2.007 5.510 1.00 0.27 C ATOM 938 CD1 TYR A 60 6.996 2.416 6.836 1.00 0.34 C ATOM 939 CD2 TYR A 60 5.604 1.403 5.130 1.00 0.26 C ATOM 940 CE1 TYR A 60 5.981 2.218 7.781 1.00 0.38 C ATOM 941 CE2 TYR A 60 4.588 1.207 6.074 1.00 0.29 C ATOM 942 CZ TYR A 60 4.779 1.613 7.399 1.00 0.35 C ATOM 943 OH TYR A 60 3.778 1.419 8.331 1.00 0.39 O ATOM 0 H TYR A 60 7.347 -0.229 4.247 1.00 0.17 H new ATOM 0 HA TYR A 60 9.790 1.331 3.950 1.00 0.22 H new ATOM 0 HB2 TYR A 60 8.357 3.197 4.629 1.00 0.24 H new ATOM 0 HB3 TYR A 60 7.476 2.206 3.483 1.00 0.24 H new ATOM 0 HD1 TYR A 60 7.924 2.884 7.130 1.00 0.34 H new ATOM 0 HD2 TYR A 60 5.458 1.087 4.107 1.00 0.26 H new ATOM 0 HE1 TYR A 60 6.126 2.532 8.804 1.00 0.38 H new ATOM 0 HE2 TYR A 60 3.658 0.743 5.779 1.00 0.29 H new ATOM 0 HH TYR A 60 3.825 2.122 9.013 1.00 0.39 H new ATOM 953 N SER A 61 9.288 -0.008 6.753 1.00 0.26 N ATOM 954 CA SER A 61 9.774 -0.087 8.161 1.00 0.34 C ATOM 955 C SER A 61 11.188 -0.673 8.185 1.00 0.37 C ATOM 956 O SER A 61 12.030 -0.254 8.953 1.00 0.45 O ATOM 957 CB SER A 61 8.839 -0.981 8.976 1.00 0.35 C ATOM 958 OG SER A 61 7.517 -0.462 8.908 1.00 0.33 O ATOM 0 H SER A 61 8.821 -0.845 6.405 1.00 0.26 H new ATOM 0 HA SER A 61 9.789 0.913 8.593 1.00 0.34 H new ATOM 0 HB2 SER A 61 8.863 -2.000 8.589 1.00 0.35 H new ATOM 0 HB3 SER A 61 9.172 -1.026 10.013 1.00 0.35 H new ATOM 0 HG SER A 61 7.009 -0.949 8.226 1.00 0.33 H new ATOM 964 N HIS A 62 11.456 -1.642 7.351 1.00 0.33 N ATOM 965 CA HIS A 62 12.816 -2.253 7.334 1.00 0.39 C ATOM 966 C HIS A 62 13.705 -1.503 6.339 1.00 0.44 C ATOM 967 O HIS A 62 14.704 -0.917 6.706 1.00 0.94 O ATOM 968 CB HIS A 62 12.709 -3.721 6.914 1.00 0.34 C ATOM 969 CG HIS A 62 13.386 -4.586 7.941 1.00 0.92 C ATOM 970 ND1 HIS A 62 13.152 -4.442 9.299 1.00 1.43 N ATOM 971 CD2 HIS A 62 14.294 -5.610 7.824 1.00 1.98 C ATOM 972 CE1 HIS A 62 13.903 -5.356 9.940 1.00 2.09 C ATOM 973 NE2 HIS A 62 14.618 -6.095 9.087 1.00 2.58 N ATOM 0 H HIS A 62 10.794 -2.036 6.683 1.00 0.33 H new ATOM 0 HA HIS A 62 13.254 -2.188 8.330 1.00 0.39 H new ATOM 0 HB2 HIS A 62 11.662 -4.007 6.815 1.00 0.34 H new ATOM 0 HB3 HIS A 62 13.172 -3.866 5.938 1.00 0.34 H new ATOM 0 HD2 HIS A 62 14.695 -5.982 6.893 1.00 1.98 H new ATOM 0 HE1 HIS A 62 13.925 -5.477 11.013 1.00 2.09 H new ATOM 0 HE2 HIS A 62 15.263 -6.852 9.313 1.00 2.58 H new ATOM 981 N HIS A 63 13.354 -1.520 5.083 1.00 0.29 N ATOM 982 CA HIS A 63 14.183 -0.812 4.067 1.00 0.33 C ATOM 983 C HIS A 63 14.518 0.597 4.563 1.00 0.28 C ATOM 984 O HIS A 63 15.655 1.021 4.533 1.00 0.31 O ATOM 985 CB HIS A 63 13.410 -0.717 2.750 1.00 0.41 C ATOM 986 CG HIS A 63 13.308 -2.082 2.127 1.00 0.54 C ATOM 987 ND1 HIS A 63 14.423 -2.783 1.698 1.00 0.60 N ATOM 988 CD2 HIS A 63 12.230 -2.888 1.855 1.00 0.72 C ATOM 989 CE1 HIS A 63 13.997 -3.956 1.194 1.00 0.74 C ATOM 990 NE2 HIS A 63 12.668 -4.071 1.266 1.00 0.79 N ATOM 0 H HIS A 63 12.529 -1.994 4.716 1.00 0.29 H new ATOM 0 HA HIS A 63 15.107 -1.368 3.908 1.00 0.33 H new ATOM 0 HB2 HIS A 63 12.414 -0.312 2.929 1.00 0.41 H new ATOM 0 HB3 HIS A 63 13.914 -0.032 2.069 1.00 0.41 H new ATOM 0 HD2 HIS A 63 11.200 -2.642 2.066 1.00 0.72 H new ATOM 0 HE1 HIS A 63 14.649 -4.712 0.782 1.00 0.74 H new ATOM 0 HE2 HIS A 63 12.097 -4.857 0.956 1.00 0.79 H new ATOM 998 N GLU A 64 13.535 1.326 5.017 1.00 0.25 N ATOM 999 CA GLU A 64 13.800 2.708 5.511 1.00 0.25 C ATOM 1000 C GLU A 64 15.008 2.690 6.451 1.00 0.28 C ATOM 1001 O GLU A 64 15.762 3.640 6.525 1.00 0.25 O ATOM 1002 CB GLU A 64 12.575 3.224 6.267 1.00 0.32 C ATOM 1003 CG GLU A 64 12.903 4.572 6.911 1.00 0.37 C ATOM 1004 CD GLU A 64 13.294 4.356 8.375 1.00 1.12 C ATOM 1005 OE1 GLU A 64 12.402 4.297 9.204 1.00 1.90 O ATOM 1006 OE2 GLU A 64 14.480 4.253 8.641 1.00 1.96 O ATOM 0 H GLU A 64 12.562 1.025 5.067 1.00 0.25 H new ATOM 0 HA GLU A 64 14.007 3.363 4.664 1.00 0.25 H new ATOM 0 HB2 GLU A 64 11.732 3.331 5.585 1.00 0.32 H new ATOM 0 HB3 GLU A 64 12.278 2.506 7.032 1.00 0.32 H new ATOM 0 HG2 GLU A 64 13.719 5.055 6.373 1.00 0.37 H new ATOM 0 HG3 GLU A 64 12.041 5.237 6.848 1.00 0.37 H new ATOM 1013 N LYS A 65 15.199 1.617 7.166 1.00 0.39 N ATOM 1014 CA LYS A 65 16.359 1.539 8.099 1.00 0.50 C ATOM 1015 C LYS A 65 17.590 1.043 7.338 1.00 0.55 C ATOM 1016 O LYS A 65 18.714 1.270 7.742 1.00 0.70 O ATOM 1017 CB LYS A 65 16.035 0.568 9.236 1.00 0.57 C ATOM 1018 CG LYS A 65 14.783 1.044 9.974 1.00 0.84 C ATOM 1019 CD LYS A 65 14.401 0.021 11.046 1.00 1.03 C ATOM 1020 CE LYS A 65 13.677 0.727 12.192 1.00 1.06 C ATOM 1021 NZ LYS A 65 14.673 1.424 13.054 1.00 1.22 N ATOM 0 H LYS A 65 14.602 0.790 7.145 1.00 0.39 H new ATOM 0 HA LYS A 65 16.561 2.527 8.513 1.00 0.50 H new ATOM 0 HB2 LYS A 65 15.876 -0.434 8.838 1.00 0.57 H new ATOM 0 HB3 LYS A 65 16.876 0.507 9.927 1.00 0.57 H new ATOM 0 HG2 LYS A 65 14.966 2.016 10.433 1.00 0.84 H new ATOM 0 HG3 LYS A 65 13.961 1.173 9.270 1.00 0.84 H new ATOM 0 HD2 LYS A 65 13.760 -0.749 10.617 1.00 1.03 H new ATOM 0 HD3 LYS A 65 15.294 -0.480 11.420 1.00 1.03 H new ATOM 0 HE2 LYS A 65 12.958 1.444 11.795 1.00 1.06 H new ATOM 0 HE3 LYS A 65 13.113 0.003 12.781 1.00 1.06 H new ATOM 0 HZ1 LYS A 65 14.228 1.685 13.957 1.00 1.22 H new ATOM 0 HZ2 LYS A 65 15.478 0.791 13.235 1.00 1.22 H new ATOM 0 HZ3 LYS A 65 15.008 2.283 12.572 1.00 1.22 H new ATOM 1035 N ASP A 66 17.389 0.366 6.240 1.00 0.46 N ATOM 1036 CA ASP A 66 18.548 -0.143 5.456 1.00 0.54 C ATOM 1037 C ASP A 66 19.043 0.954 4.510 1.00 0.50 C ATOM 1038 O ASP A 66 18.295 1.820 4.105 1.00 0.49 O ATOM 1039 CB ASP A 66 18.114 -1.363 4.639 1.00 0.58 C ATOM 1040 CG ASP A 66 19.331 -2.246 4.357 1.00 0.43 C ATOM 1041 OD1 ASP A 66 20.438 -1.743 4.453 1.00 1.49 O ATOM 1042 OD2 ASP A 66 19.134 -3.411 4.052 1.00 0.68 O ATOM 0 H ASP A 66 16.472 0.144 5.853 1.00 0.46 H new ATOM 0 HA ASP A 66 19.351 -0.428 6.136 1.00 0.54 H new ATOM 0 HB2 ASP A 66 17.359 -1.929 5.184 1.00 0.58 H new ATOM 0 HB3 ASP A 66 17.658 -1.043 3.702 1.00 0.58 H new ATOM 1047 N THR A 67 20.299 0.923 4.156 1.00 0.48 N ATOM 1048 CA THR A 67 20.840 1.963 3.237 1.00 0.44 C ATOM 1049 C THR A 67 20.759 1.461 1.793 1.00 0.49 C ATOM 1050 O THR A 67 21.670 1.645 1.011 1.00 0.50 O ATOM 1051 CB THR A 67 22.300 2.252 3.596 1.00 0.46 C ATOM 1052 OG1 THR A 67 23.028 1.032 3.622 1.00 1.01 O ATOM 1053 CG2 THR A 67 22.367 2.919 4.971 1.00 0.84 C ATOM 0 H THR A 67 20.973 0.222 4.464 1.00 0.48 H new ATOM 0 HA THR A 67 20.254 2.876 3.337 1.00 0.44 H new ATOM 0 HB THR A 67 22.734 2.919 2.851 1.00 0.46 H new ATOM 0 HG1 THR A 67 23.964 1.214 3.850 1.00 1.01 H new ATOM 0 HG21 THR A 67 23.407 3.124 5.226 1.00 0.84 H new ATOM 0 HG22 THR A 67 21.807 3.854 4.949 1.00 0.84 H new ATOM 0 HG23 THR A 67 21.935 2.255 5.719 1.00 0.84 H new ATOM 1061 N ARG A 68 19.674 0.828 1.437 1.00 0.52 N ATOM 1062 CA ARG A 68 19.533 0.312 0.045 1.00 0.58 C ATOM 1063 C ARG A 68 18.775 1.334 -0.805 1.00 0.57 C ATOM 1064 O ARG A 68 19.173 1.655 -1.908 1.00 0.64 O ATOM 1065 CB ARG A 68 18.756 -1.005 0.067 1.00 0.64 C ATOM 1066 CG ARG A 68 19.574 -2.068 0.804 1.00 0.83 C ATOM 1067 CD ARG A 68 18.819 -3.398 0.786 1.00 1.93 C ATOM 1068 NE ARG A 68 19.098 -4.109 -0.494 1.00 1.54 N ATOM 1069 CZ ARG A 68 18.812 -5.378 -0.612 1.00 2.46 C ATOM 1070 NH1 ARG A 68 18.284 -6.023 0.393 1.00 3.68 N ATOM 1071 NH2 ARG A 68 19.055 -6.000 -1.732 1.00 2.61 N ATOM 0 H ARG A 68 18.879 0.646 2.050 1.00 0.52 H new ATOM 0 HA ARG A 68 20.522 0.146 -0.382 1.00 0.58 H new ATOM 0 HB2 ARG A 68 17.794 -0.864 0.561 1.00 0.64 H new ATOM 0 HB3 ARG A 68 18.547 -1.333 -0.951 1.00 0.64 H new ATOM 0 HG2 ARG A 68 20.549 -2.185 0.330 1.00 0.83 H new ATOM 0 HG3 ARG A 68 19.755 -1.754 1.832 1.00 0.83 H new ATOM 0 HD2 ARG A 68 19.126 -4.014 1.631 1.00 1.93 H new ATOM 0 HD3 ARG A 68 17.748 -3.222 0.891 1.00 1.93 H new ATOM 0 HE ARG A 68 19.512 -3.605 -1.278 1.00 1.54 H new ATOM 0 HH11 ARG A 68 18.095 -5.536 1.269 1.00 3.68 H new ATOM 0 HH12 ARG A 68 18.060 -7.014 0.302 1.00 3.68 H new ATOM 0 HH21 ARG A 68 19.469 -5.496 -2.516 1.00 2.61 H new ATOM 0 HH22 ARG A 68 18.832 -6.991 -1.824 1.00 2.61 H new ATOM 1085 N CYS A 69 17.684 1.845 -0.304 1.00 0.54 N ATOM 1086 CA CYS A 69 16.903 2.842 -1.089 1.00 0.52 C ATOM 1087 C CYS A 69 17.411 4.252 -0.777 1.00 0.41 C ATOM 1088 O CYS A 69 16.845 5.235 -1.214 1.00 0.39 O ATOM 1089 CB CYS A 69 15.422 2.735 -0.720 1.00 0.56 C ATOM 1090 SG CYS A 69 14.767 1.159 -1.324 1.00 0.18 S ATOM 0 H CYS A 69 17.300 1.616 0.613 1.00 0.54 H new ATOM 0 HA CYS A 69 17.026 2.643 -2.154 1.00 0.52 H new ATOM 0 HB2 CYS A 69 15.299 2.803 0.361 1.00 0.56 H new ATOM 0 HB3 CYS A 69 14.866 3.564 -1.157 1.00 0.56 H new ATOM 1095 N LEU A 70 18.474 4.358 -0.029 1.00 0.38 N ATOM 1096 CA LEU A 70 19.020 5.704 0.306 1.00 0.35 C ATOM 1097 C LEU A 70 20.098 6.082 -0.711 1.00 0.60 C ATOM 1098 O LEU A 70 20.051 7.132 -1.320 1.00 0.71 O ATOM 1099 CB LEU A 70 19.631 5.675 1.710 1.00 0.20 C ATOM 1100 CG LEU A 70 18.595 5.157 2.711 1.00 0.40 C ATOM 1101 CD1 LEU A 70 19.206 5.130 4.114 1.00 0.13 C ATOM 1102 CD2 LEU A 70 17.375 6.081 2.710 1.00 0.78 C ATOM 0 H LEU A 70 18.989 3.571 0.365 1.00 0.38 H new ATOM 0 HA LEU A 70 18.216 6.439 0.276 1.00 0.35 H new ATOM 0 HB2 LEU A 70 20.513 5.035 1.720 1.00 0.20 H new ATOM 0 HB3 LEU A 70 19.959 6.675 1.995 1.00 0.20 H new ATOM 0 HG LEU A 70 18.291 4.150 2.425 1.00 0.40 H new ATOM 0 HD11 LEU A 70 18.467 4.761 4.826 1.00 0.13 H new ATOM 0 HD12 LEU A 70 20.075 4.472 4.120 1.00 0.13 H new ATOM 0 HD13 LEU A 70 19.511 6.137 4.397 1.00 0.13 H new ATOM 0 HD21 LEU A 70 16.638 5.711 3.423 1.00 0.78 H new ATOM 0 HD22 LEU A 70 17.681 7.088 2.994 1.00 0.78 H new ATOM 0 HD23 LEU A 70 16.936 6.103 1.713 1.00 0.78 H new ATOM 1114 N GLY A 71 21.069 5.232 -0.902 1.00 0.77 N ATOM 1115 CA GLY A 71 22.149 5.543 -1.882 1.00 1.02 C ATOM 1116 C GLY A 71 23.102 6.579 -1.283 1.00 0.85 C ATOM 1117 O GLY A 71 23.831 6.301 -0.353 1.00 1.19 O ATOM 0 H GLY A 71 21.162 4.336 -0.423 1.00 0.77 H new ATOM 0 HA2 GLY A 71 22.696 4.635 -2.136 1.00 1.02 H new ATOM 0 HA3 GLY A 71 21.716 5.924 -2.807 1.00 1.02 H new ATOM 1121 N ALA A 72 23.101 7.773 -1.811 1.00 0.54 N ATOM 1122 CA ALA A 72 24.007 8.826 -1.272 1.00 0.41 C ATOM 1123 C ALA A 72 23.678 10.169 -1.929 1.00 0.46 C ATOM 1124 O ALA A 72 23.826 11.215 -1.331 1.00 0.50 O ATOM 1125 CB ALA A 72 25.458 8.453 -1.574 1.00 0.44 C ATOM 0 H ALA A 72 22.512 8.064 -2.592 1.00 0.54 H new ATOM 0 HA ALA A 72 23.869 8.906 -0.194 1.00 0.41 H new ATOM 0 HB1 ALA A 72 26.121 9.223 -1.180 1.00 0.44 H new ATOM 0 HB2 ALA A 72 25.693 7.497 -1.106 1.00 0.44 H new ATOM 0 HB3 ALA A 72 25.596 8.372 -2.652 1.00 0.44 H new ATOM 1131 N THR A 73 23.232 10.146 -3.155 1.00 0.61 N ATOM 1132 CA THR A 73 22.895 11.421 -3.850 1.00 0.75 C ATOM 1133 C THR A 73 22.045 12.296 -2.926 1.00 0.63 C ATOM 1134 O THR A 73 21.541 11.843 -1.918 1.00 0.42 O ATOM 1135 CB THR A 73 22.108 11.113 -5.127 1.00 0.97 C ATOM 1136 OG1 THR A 73 21.931 9.709 -5.244 1.00 1.35 O ATOM 1137 CG2 THR A 73 22.877 11.637 -6.341 1.00 0.78 C ATOM 0 H THR A 73 23.086 9.300 -3.706 1.00 0.61 H new ATOM 0 HA THR A 73 23.813 11.949 -4.107 1.00 0.75 H new ATOM 0 HB THR A 73 21.134 11.599 -5.081 1.00 0.97 H new ATOM 0 HG1 THR A 73 21.426 9.510 -6.060 1.00 1.35 H new ATOM 0 HG21 THR A 73 22.316 11.417 -7.249 1.00 0.78 H new ATOM 0 HG22 THR A 73 23.011 12.715 -6.249 1.00 0.78 H new ATOM 0 HG23 THR A 73 23.852 11.153 -6.391 1.00 0.78 H new ATOM 1145 N ALA A 74 21.884 13.547 -3.262 1.00 0.79 N ATOM 1146 CA ALA A 74 21.068 14.449 -2.402 1.00 0.72 C ATOM 1147 C ALA A 74 19.607 14.402 -2.855 1.00 0.70 C ATOM 1148 O ALA A 74 18.704 14.260 -2.055 1.00 0.84 O ATOM 1149 CB ALA A 74 21.592 15.881 -2.524 1.00 0.93 C ATOM 0 H ALA A 74 22.282 13.983 -4.094 1.00 0.79 H new ATOM 0 HA ALA A 74 21.138 14.123 -1.364 1.00 0.72 H new ATOM 0 HB1 ALA A 74 20.995 16.542 -1.895 1.00 0.93 H new ATOM 0 HB2 ALA A 74 22.633 15.916 -2.202 1.00 0.93 H new ATOM 0 HB3 ALA A 74 21.522 16.207 -3.562 1.00 0.93 H new ATOM 1155 N GLN A 75 19.367 14.518 -4.133 1.00 0.62 N ATOM 1156 CA GLN A 75 17.965 14.479 -4.634 1.00 0.62 C ATOM 1157 C GLN A 75 17.325 13.142 -4.255 1.00 0.54 C ATOM 1158 O GLN A 75 16.140 13.061 -4.001 1.00 0.56 O ATOM 1159 CB GLN A 75 17.963 14.633 -6.157 1.00 0.76 C ATOM 1160 CG GLN A 75 19.053 13.747 -6.762 1.00 0.45 C ATOM 1161 CD GLN A 75 18.899 13.715 -8.284 1.00 1.40 C ATOM 1162 OE1 GLN A 75 17.897 13.255 -8.794 1.00 2.82 O ATOM 1163 NE2 GLN A 75 19.856 14.186 -9.035 1.00 1.07 N ATOM 0 H GLN A 75 20.082 14.638 -4.851 1.00 0.62 H new ATOM 0 HA GLN A 75 17.396 15.294 -4.186 1.00 0.62 H new ATOM 0 HB2 GLN A 75 16.989 14.355 -6.560 1.00 0.76 H new ATOM 0 HB3 GLN A 75 18.135 15.675 -6.428 1.00 0.76 H new ATOM 0 HG2 GLN A 75 20.038 14.129 -6.494 1.00 0.45 H new ATOM 0 HG3 GLN A 75 18.982 12.737 -6.357 1.00 0.45 H new ATOM 0 HE21 GLN A 75 20.697 14.572 -8.607 1.00 1.07 H new ATOM 0 HE22 GLN A 75 19.763 14.168 -10.051 1.00 1.07 H new ATOM 1172 N GLN A 76 18.099 12.093 -4.215 1.00 0.47 N ATOM 1173 CA GLN A 76 17.533 10.763 -3.851 1.00 0.43 C ATOM 1174 C GLN A 76 17.228 10.731 -2.353 1.00 0.32 C ATOM 1175 O GLN A 76 16.325 10.052 -1.907 1.00 0.31 O ATOM 1176 CB GLN A 76 18.545 9.667 -4.191 1.00 0.40 C ATOM 1177 CG GLN A 76 17.807 8.354 -4.457 1.00 0.56 C ATOM 1178 CD GLN A 76 18.820 7.254 -4.776 1.00 1.31 C ATOM 1179 OE1 GLN A 76 19.327 7.178 -5.877 1.00 1.44 O ATOM 1180 NE2 GLN A 76 19.140 6.390 -3.851 1.00 2.59 N ATOM 0 H GLN A 76 19.098 12.099 -4.418 1.00 0.47 H new ATOM 0 HA GLN A 76 16.614 10.594 -4.412 1.00 0.43 H new ATOM 0 HB2 GLN A 76 19.126 9.954 -5.067 1.00 0.40 H new ATOM 0 HB3 GLN A 76 19.249 9.540 -3.369 1.00 0.40 H new ATOM 0 HG2 GLN A 76 17.214 8.075 -3.586 1.00 0.56 H new ATOM 0 HG3 GLN A 76 17.113 8.477 -5.289 1.00 0.56 H new ATOM 0 HE21 GLN A 76 18.715 6.452 -2.926 1.00 2.59 H new ATOM 0 HE22 GLN A 76 19.815 5.653 -4.054 1.00 2.59 H new ATOM 1189 N PHE A 77 17.974 11.462 -1.572 1.00 0.26 N ATOM 1190 CA PHE A 77 17.727 11.474 -0.103 1.00 0.19 C ATOM 1191 C PHE A 77 16.346 12.071 0.174 1.00 0.21 C ATOM 1192 O PHE A 77 15.592 11.569 0.986 1.00 0.15 O ATOM 1193 CB PHE A 77 18.797 12.321 0.588 1.00 0.21 C ATOM 1194 CG PHE A 77 18.424 12.522 2.037 1.00 0.46 C ATOM 1195 CD1 PHE A 77 18.574 11.473 2.952 1.00 0.69 C ATOM 1196 CD2 PHE A 77 17.926 13.759 2.466 1.00 0.69 C ATOM 1197 CE1 PHE A 77 18.228 11.660 4.295 1.00 0.99 C ATOM 1198 CE2 PHE A 77 17.580 13.945 3.810 1.00 0.98 C ATOM 1199 CZ PHE A 77 17.731 12.897 4.724 1.00 1.09 C ATOM 0 H PHE A 77 18.744 12.052 -1.888 1.00 0.26 H new ATOM 0 HA PHE A 77 17.768 10.455 0.282 1.00 0.19 H new ATOM 0 HB2 PHE A 77 19.767 11.829 0.516 1.00 0.21 H new ATOM 0 HB3 PHE A 77 18.891 13.285 0.089 1.00 0.21 H new ATOM 0 HD1 PHE A 77 18.957 10.519 2.621 1.00 0.69 H new ATOM 0 HD2 PHE A 77 17.809 14.569 1.761 1.00 0.69 H new ATOM 0 HE1 PHE A 77 18.344 10.851 5.000 1.00 0.99 H new ATOM 0 HE2 PHE A 77 17.196 14.899 4.141 1.00 0.98 H new ATOM 0 HZ PHE A 77 17.464 13.042 5.760 1.00 1.09 H new ATOM 1209 N HIS A 78 16.006 13.140 -0.495 1.00 0.40 N ATOM 1210 CA HIS A 78 14.674 13.767 -0.270 1.00 0.45 C ATOM 1211 C HIS A 78 13.613 13.004 -1.065 1.00 0.46 C ATOM 1212 O HIS A 78 12.563 12.667 -0.554 1.00 0.51 O ATOM 1213 CB HIS A 78 14.711 15.224 -0.736 1.00 0.48 C ATOM 1214 CG HIS A 78 13.807 16.052 0.135 1.00 0.15 C ATOM 1215 ND1 HIS A 78 14.061 17.387 0.405 1.00 0.40 N ATOM 1216 CD2 HIS A 78 12.647 15.749 0.804 1.00 0.17 C ATOM 1217 CE1 HIS A 78 13.076 17.835 1.206 1.00 0.63 C ATOM 1218 NE2 HIS A 78 12.187 16.875 1.479 1.00 0.35 N ATOM 0 H HIS A 78 16.594 13.605 -1.187 1.00 0.40 H new ATOM 0 HA HIS A 78 14.429 13.732 0.792 1.00 0.45 H new ATOM 0 HB2 HIS A 78 15.731 15.607 -0.688 1.00 0.48 H new ATOM 0 HB3 HIS A 78 14.394 15.292 -1.777 1.00 0.48 H new ATOM 0 HD2 HIS A 78 12.165 14.783 0.806 1.00 0.17 H new ATOM 0 HE1 HIS A 78 13.012 18.846 1.582 1.00 0.63 H new ATOM 0 HE2 HIS A 78 11.351 16.952 2.058 1.00 0.35 H new ATOM 1226 N ARG A 79 13.878 12.725 -2.313 1.00 0.46 N ATOM 1227 CA ARG A 79 12.885 11.983 -3.137 1.00 0.48 C ATOM 1228 C ARG A 79 12.529 10.668 -2.440 1.00 0.45 C ATOM 1229 O ARG A 79 11.417 10.187 -2.531 1.00 0.39 O ATOM 1230 CB ARG A 79 13.484 11.684 -4.513 1.00 0.49 C ATOM 1231 CG ARG A 79 12.365 11.315 -5.489 1.00 0.90 C ATOM 1232 CD ARG A 79 12.958 11.066 -6.876 1.00 0.76 C ATOM 1233 NE ARG A 79 13.813 9.846 -6.839 1.00 2.87 N ATOM 1234 CZ ARG A 79 14.177 9.270 -7.952 1.00 3.38 C ATOM 1235 NH1 ARG A 79 13.794 9.764 -9.098 1.00 2.06 N ATOM 1236 NH2 ARG A 79 14.926 8.201 -7.920 1.00 5.39 N ATOM 0 H ARG A 79 14.740 12.979 -2.796 1.00 0.46 H new ATOM 0 HA ARG A 79 11.986 12.588 -3.257 1.00 0.48 H new ATOM 0 HB2 ARG A 79 14.029 12.553 -4.880 1.00 0.49 H new ATOM 0 HB3 ARG A 79 14.201 10.866 -4.439 1.00 0.49 H new ATOM 0 HG2 ARG A 79 11.843 10.424 -5.140 1.00 0.90 H new ATOM 0 HG3 ARG A 79 11.629 12.118 -5.535 1.00 0.90 H new ATOM 0 HD2 ARG A 79 12.160 10.941 -7.608 1.00 0.76 H new ATOM 0 HD3 ARG A 79 13.548 11.927 -7.191 1.00 0.76 H new ATOM 0 HE ARG A 79 14.114 9.461 -5.944 1.00 2.87 H new ATOM 0 HH11 ARG A 79 13.210 10.600 -9.123 1.00 2.06 H new ATOM 0 HH12 ARG A 79 14.078 9.314 -9.968 1.00 2.06 H new ATOM 0 HH21 ARG A 79 15.227 7.816 -7.025 1.00 5.39 H new ATOM 0 HH22 ARG A 79 15.210 7.751 -8.790 1.00 5.39 H new ATOM 1250 N HIS A 80 13.465 10.083 -1.744 1.00 0.50 N ATOM 1251 CA HIS A 80 13.181 8.801 -1.041 1.00 0.47 C ATOM 1252 C HIS A 80 12.337 9.079 0.204 1.00 0.44 C ATOM 1253 O HIS A 80 11.338 8.432 0.447 1.00 0.40 O ATOM 1254 CB HIS A 80 14.499 8.143 -0.628 1.00 0.48 C ATOM 1255 CG HIS A 80 14.217 6.989 0.293 1.00 0.50 C ATOM 1256 ND1 HIS A 80 13.748 5.770 -0.170 1.00 0.56 N ATOM 1257 CD2 HIS A 80 14.335 6.853 1.655 1.00 0.49 C ATOM 1258 CE1 HIS A 80 13.601 4.961 0.895 1.00 0.55 C ATOM 1259 NE2 HIS A 80 13.945 5.571 2.032 1.00 0.51 N ATOM 0 H HIS A 80 14.415 10.438 -1.632 1.00 0.50 H new ATOM 0 HA HIS A 80 12.636 8.133 -1.708 1.00 0.47 H new ATOM 0 HB2 HIS A 80 15.036 7.795 -1.510 1.00 0.48 H new ATOM 0 HB3 HIS A 80 15.141 8.870 -0.131 1.00 0.48 H new ATOM 0 HD2 HIS A 80 14.678 7.623 2.330 1.00 0.49 H new ATOM 0 HE1 HIS A 80 13.248 3.942 0.837 1.00 0.55 H new ATOM 0 HE2 HIS A 80 13.926 5.181 2.974 1.00 0.51 H new ATOM 1267 N LYS A 81 12.730 10.039 0.997 1.00 0.46 N ATOM 1268 CA LYS A 81 11.950 10.356 2.225 1.00 0.45 C ATOM 1269 C LYS A 81 10.495 10.642 1.844 1.00 0.44 C ATOM 1270 O LYS A 81 9.576 10.062 2.389 1.00 0.50 O ATOM 1271 CB LYS A 81 12.550 11.588 2.908 1.00 0.46 C ATOM 1272 CG LYS A 81 13.780 11.174 3.718 1.00 0.37 C ATOM 1273 CD LYS A 81 14.388 12.407 4.390 1.00 1.14 C ATOM 1274 CE LYS A 81 14.758 12.070 5.836 1.00 0.72 C ATOM 1275 NZ LYS A 81 13.536 11.646 6.575 1.00 1.32 N ATOM 0 H LYS A 81 13.557 10.617 0.847 1.00 0.46 H new ATOM 0 HA LYS A 81 11.988 9.508 2.909 1.00 0.45 H new ATOM 0 HB2 LYS A 81 12.827 12.332 2.161 1.00 0.46 H new ATOM 0 HB3 LYS A 81 11.810 12.051 3.561 1.00 0.46 H new ATOM 0 HG2 LYS A 81 13.501 10.437 4.471 1.00 0.37 H new ATOM 0 HG3 LYS A 81 14.515 10.702 3.067 1.00 0.37 H new ATOM 0 HD2 LYS A 81 15.273 12.733 3.843 1.00 1.14 H new ATOM 0 HD3 LYS A 81 13.678 13.234 4.368 1.00 1.14 H new ATOM 0 HE2 LYS A 81 15.503 11.274 5.856 1.00 0.72 H new ATOM 0 HE3 LYS A 81 15.206 12.938 6.320 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 13.563 12.032 7.540 1.00 1.32 H new ATOM 0 HZ2 LYS A 81 12.692 12.002 6.083 1.00 1.32 H new ATOM 0 HZ3 LYS A 81 13.499 10.608 6.618 1.00 1.32 H new ATOM 1289 N GLN A 82 10.280 11.529 0.913 1.00 0.37 N ATOM 1290 CA GLN A 82 8.886 11.850 0.499 1.00 0.37 C ATOM 1291 C GLN A 82 8.122 10.550 0.233 1.00 0.37 C ATOM 1292 O GLN A 82 6.954 10.430 0.545 1.00 0.46 O ATOM 1293 CB GLN A 82 8.913 12.695 -0.777 1.00 0.38 C ATOM 1294 CG GLN A 82 7.536 13.321 -1.005 1.00 0.63 C ATOM 1295 CD GLN A 82 7.449 14.651 -0.255 1.00 1.17 C ATOM 1296 OE1 GLN A 82 6.549 14.859 0.533 1.00 2.68 O ATOM 1297 NE2 GLN A 82 8.354 15.567 -0.468 1.00 1.42 N ATOM 0 H GLN A 82 11.009 12.045 0.421 1.00 0.37 H new ATOM 0 HA GLN A 82 8.391 12.408 1.293 1.00 0.37 H new ATOM 0 HB2 GLN A 82 9.669 13.475 -0.693 1.00 0.38 H new ATOM 0 HB3 GLN A 82 9.188 12.075 -1.630 1.00 0.38 H new ATOM 0 HG2 GLN A 82 7.369 13.481 -2.070 1.00 0.63 H new ATOM 0 HG3 GLN A 82 6.755 12.644 -0.658 1.00 0.63 H new ATOM 0 HE21 GLN A 82 9.110 15.393 -1.130 1.00 1.42 H new ATOM 0 HE22 GLN A 82 8.305 16.457 0.027 1.00 1.42 H new ATOM 1306 N LEU A 83 8.775 9.576 -0.338 1.00 0.28 N ATOM 1307 CA LEU A 83 8.087 8.285 -0.622 1.00 0.28 C ATOM 1308 C LEU A 83 7.649 7.645 0.698 1.00 0.27 C ATOM 1309 O LEU A 83 6.480 7.398 0.922 1.00 0.27 O ATOM 1310 CB LEU A 83 9.051 7.344 -1.351 1.00 0.29 C ATOM 1311 CG LEU A 83 8.256 6.334 -2.182 1.00 0.30 C ATOM 1312 CD1 LEU A 83 9.223 5.413 -2.928 1.00 0.32 C ATOM 1313 CD2 LEU A 83 7.369 5.498 -1.258 1.00 0.29 C ATOM 0 H LEU A 83 9.754 9.618 -0.620 1.00 0.28 H new ATOM 0 HA LEU A 83 7.213 8.465 -1.248 1.00 0.28 H new ATOM 0 HB2 LEU A 83 9.716 7.918 -1.997 1.00 0.29 H new ATOM 0 HB3 LEU A 83 9.680 6.822 -0.630 1.00 0.29 H new ATOM 0 HG LEU A 83 7.633 6.867 -2.901 1.00 0.30 H new ATOM 0 HD11 LEU A 83 8.657 4.694 -3.520 1.00 0.32 H new ATOM 0 HD12 LEU A 83 9.856 6.007 -3.587 1.00 0.32 H new ATOM 0 HD13 LEU A 83 9.846 4.881 -2.209 1.00 0.32 H new ATOM 0 HD21 LEU A 83 6.803 4.779 -1.850 1.00 0.29 H new ATOM 0 HD22 LEU A 83 7.992 4.966 -0.539 1.00 0.29 H new ATOM 0 HD23 LEU A 83 6.679 6.153 -0.726 1.00 0.29 H new ATOM 1325 N ILE A 84 8.577 7.377 1.575 1.00 0.28 N ATOM 1326 CA ILE A 84 8.214 6.757 2.880 1.00 0.28 C ATOM 1327 C ILE A 84 7.052 7.529 3.507 1.00 0.25 C ATOM 1328 O ILE A 84 6.134 6.952 4.055 1.00 0.27 O ATOM 1329 CB ILE A 84 9.422 6.804 3.821 1.00 0.28 C ATOM 1330 CG1 ILE A 84 10.675 6.339 3.073 1.00 0.33 C ATOM 1331 CG2 ILE A 84 9.177 5.889 5.022 1.00 0.28 C ATOM 1332 CD1 ILE A 84 10.391 5.018 2.354 1.00 0.35 C ATOM 0 H ILE A 84 9.572 7.561 1.444 1.00 0.28 H new ATOM 0 HA ILE A 84 7.917 5.721 2.719 1.00 0.28 H new ATOM 0 HB ILE A 84 9.565 7.827 4.169 1.00 0.28 H new ATOM 0 HG12 ILE A 84 10.981 7.097 2.352 1.00 0.33 H new ATOM 0 HG13 ILE A 84 11.501 6.212 3.773 1.00 0.33 H new ATOM 0 HG21 ILE A 84 10.039 5.925 5.689 1.00 0.28 H new ATOM 0 HG22 ILE A 84 8.289 6.223 5.558 1.00 0.28 H new ATOM 0 HG23 ILE A 84 9.029 4.866 4.676 1.00 0.28 H new ATOM 0 HD11 ILE A 84 11.286 4.693 1.824 1.00 0.35 H new ATOM 0 HD12 ILE A 84 10.106 4.260 3.084 1.00 0.35 H new ATOM 0 HD13 ILE A 84 9.578 5.159 1.641 1.00 0.35 H new ATOM 1344 N ARG A 85 7.083 8.831 3.431 1.00 0.22 N ATOM 1345 CA ARG A 85 5.980 9.640 4.023 1.00 0.23 C ATOM 1346 C ARG A 85 4.637 9.150 3.477 1.00 0.13 C ATOM 1347 O ARG A 85 3.717 8.873 4.221 1.00 0.09 O ATOM 1348 CB ARG A 85 6.174 11.112 3.656 1.00 0.33 C ATOM 1349 CG ARG A 85 6.848 11.846 4.818 1.00 0.71 C ATOM 1350 CD ARG A 85 7.056 13.318 4.440 1.00 1.41 C ATOM 1351 NE ARG A 85 8.460 13.745 4.748 1.00 2.48 N ATOM 1352 CZ ARG A 85 9.017 13.469 5.899 1.00 2.44 C ATOM 1353 NH1 ARG A 85 8.333 12.876 6.839 1.00 1.91 N ATOM 1354 NH2 ARG A 85 10.259 13.808 6.116 1.00 3.71 N ATOM 0 H ARG A 85 7.825 9.370 2.984 1.00 0.22 H new ATOM 0 HA ARG A 85 5.992 9.531 5.108 1.00 0.23 H new ATOM 0 HB2 ARG A 85 6.784 11.196 2.757 1.00 0.33 H new ATOM 0 HB3 ARG A 85 5.211 11.571 3.432 1.00 0.33 H new ATOM 0 HG2 ARG A 85 6.232 11.773 5.715 1.00 0.71 H new ATOM 0 HG3 ARG A 85 7.806 11.380 5.050 1.00 0.71 H new ATOM 0 HD2 ARG A 85 6.851 13.460 3.379 1.00 1.41 H new ATOM 0 HD3 ARG A 85 6.351 13.943 4.987 1.00 1.41 H new ATOM 0 HE ARG A 85 8.991 14.261 4.046 1.00 2.48 H new ATOM 0 HH11 ARG A 85 7.358 12.625 6.679 1.00 1.91 H new ATOM 0 HH12 ARG A 85 8.774 12.664 7.734 1.00 1.91 H new ATOM 0 HH21 ARG A 85 10.792 14.286 5.389 1.00 3.71 H new ATOM 0 HH22 ARG A 85 10.697 13.595 7.012 1.00 3.71 H new ATOM 1368 N PHE A 86 4.516 9.040 2.182 1.00 0.17 N ATOM 1369 CA PHE A 86 3.232 8.569 1.591 1.00 0.19 C ATOM 1370 C PHE A 86 2.874 7.199 2.172 1.00 0.17 C ATOM 1371 O PHE A 86 1.785 6.991 2.669 1.00 0.25 O ATOM 1372 CB PHE A 86 3.380 8.454 0.072 1.00 0.30 C ATOM 1373 CG PHE A 86 3.198 9.815 -0.557 1.00 0.19 C ATOM 1374 CD1 PHE A 86 1.927 10.401 -0.597 1.00 0.34 C ATOM 1375 CD2 PHE A 86 4.298 10.488 -1.100 1.00 0.31 C ATOM 1376 CE1 PHE A 86 1.757 11.662 -1.181 1.00 0.32 C ATOM 1377 CE2 PHE A 86 4.128 11.749 -1.684 1.00 0.27 C ATOM 1378 CZ PHE A 86 2.857 12.336 -1.724 1.00 0.05 C ATOM 0 H PHE A 86 5.251 9.256 1.508 1.00 0.17 H new ATOM 0 HA PHE A 86 2.442 9.282 1.827 1.00 0.19 H new ATOM 0 HB2 PHE A 86 4.362 8.054 -0.179 1.00 0.30 H new ATOM 0 HB3 PHE A 86 2.642 7.757 -0.324 1.00 0.30 H new ATOM 0 HD1 PHE A 86 1.079 9.881 -0.178 1.00 0.34 H new ATOM 0 HD2 PHE A 86 5.278 10.035 -1.069 1.00 0.31 H new ATOM 0 HE1 PHE A 86 0.777 12.115 -1.213 1.00 0.32 H new ATOM 0 HE2 PHE A 86 4.977 12.269 -2.103 1.00 0.27 H new ATOM 0 HZ PHE A 86 2.726 13.309 -2.174 1.00 0.05 H new ATOM 1388 N LEU A 87 3.781 6.264 2.113 1.00 0.14 N ATOM 1389 CA LEU A 87 3.490 4.908 2.661 1.00 0.12 C ATOM 1390 C LEU A 87 3.048 5.032 4.121 1.00 0.14 C ATOM 1391 O LEU A 87 1.968 4.617 4.489 1.00 0.26 O ATOM 1392 CB LEU A 87 4.751 4.042 2.583 1.00 0.12 C ATOM 1393 CG LEU A 87 5.355 4.141 1.180 1.00 0.38 C ATOM 1394 CD1 LEU A 87 6.546 3.188 1.069 1.00 0.26 C ATOM 1395 CD2 LEU A 87 4.300 3.757 0.141 1.00 0.68 C ATOM 0 H LEU A 87 4.711 6.379 1.710 1.00 0.14 H new ATOM 0 HA LEU A 87 2.695 4.445 2.077 1.00 0.12 H new ATOM 0 HB2 LEU A 87 5.477 4.371 3.327 1.00 0.12 H new ATOM 0 HB3 LEU A 87 4.507 3.005 2.813 1.00 0.12 H new ATOM 0 HG LEU A 87 5.688 5.163 1.001 1.00 0.38 H new ATOM 0 HD11 LEU A 87 6.976 3.258 0.070 1.00 0.26 H new ATOM 0 HD12 LEU A 87 7.299 3.459 1.809 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.212 2.166 1.249 1.00 0.26 H new ATOM 0 HD21 LEU A 87 4.730 3.828 -0.858 1.00 0.68 H new ATOM 0 HD22 LEU A 87 3.967 2.735 0.321 1.00 0.68 H new ATOM 0 HD23 LEU A 87 3.450 4.435 0.218 1.00 0.68 H new ATOM 1407 N LYS A 88 3.876 5.600 4.955 1.00 0.11 N ATOM 1408 CA LYS A 88 3.502 5.748 6.390 1.00 0.15 C ATOM 1409 C LYS A 88 2.105 6.363 6.493 1.00 0.15 C ATOM 1410 O LYS A 88 1.421 6.210 7.486 1.00 0.16 O ATOM 1411 CB LYS A 88 4.513 6.660 7.089 1.00 0.14 C ATOM 1412 CG LYS A 88 5.661 5.816 7.647 1.00 0.45 C ATOM 1413 CD LYS A 88 6.693 6.731 8.307 1.00 0.77 C ATOM 1414 CE LYS A 88 7.618 5.900 9.199 1.00 0.97 C ATOM 1415 NZ LYS A 88 8.358 4.914 8.362 1.00 2.37 N ATOM 0 H LYS A 88 4.794 5.967 4.705 1.00 0.11 H new ATOM 0 HA LYS A 88 3.504 4.769 6.868 1.00 0.15 H new ATOM 0 HB2 LYS A 88 4.899 7.399 6.387 1.00 0.14 H new ATOM 0 HB3 LYS A 88 4.027 7.210 7.895 1.00 0.14 H new ATOM 0 HG2 LYS A 88 5.279 5.098 8.373 1.00 0.45 H new ATOM 0 HG3 LYS A 88 6.127 5.242 6.846 1.00 0.45 H new ATOM 0 HD2 LYS A 88 7.275 7.249 7.545 1.00 0.77 H new ATOM 0 HD3 LYS A 88 6.190 7.496 8.899 1.00 0.77 H new ATOM 0 HE2 LYS A 88 8.320 6.551 9.720 1.00 0.97 H new ATOM 0 HE3 LYS A 88 7.037 5.382 9.962 1.00 0.97 H new ATOM 0 HZ1 LYS A 88 8.975 4.337 8.969 1.00 2.37 H new ATOM 0 HZ2 LYS A 88 7.680 4.297 7.871 1.00 2.37 H new ATOM 0 HZ3 LYS A 88 8.937 5.419 7.661 1.00 2.37 H new ATOM 1429 N ARG A 89 1.674 7.059 5.476 1.00 0.16 N ATOM 1430 CA ARG A 89 0.321 7.681 5.520 1.00 0.18 C ATOM 1431 C ARG A 89 -0.728 6.656 5.086 1.00 0.15 C ATOM 1432 O ARG A 89 -1.456 6.118 5.896 1.00 0.21 O ATOM 1433 CB ARG A 89 0.282 8.885 4.575 1.00 0.22 C ATOM 1434 CG ARG A 89 -0.957 9.731 4.880 1.00 0.33 C ATOM 1435 CD ARG A 89 -1.509 10.338 3.586 1.00 0.83 C ATOM 1436 NE ARG A 89 -0.384 10.668 2.651 1.00 2.14 N ATOM 1437 CZ ARG A 89 0.633 11.391 3.038 1.00 2.36 C ATOM 1438 NH1 ARG A 89 0.610 12.005 4.188 1.00 1.78 N ATOM 1439 NH2 ARG A 89 1.657 11.546 2.242 1.00 4.02 N ATOM 0 H ARG A 89 2.200 7.223 4.618 1.00 0.16 H new ATOM 0 HA ARG A 89 0.106 8.010 6.537 1.00 0.18 H new ATOM 0 HB2 ARG A 89 1.184 9.485 4.695 1.00 0.22 H new ATOM 0 HB3 ARG A 89 0.259 8.547 3.539 1.00 0.22 H new ATOM 0 HG2 ARG A 89 -1.720 9.115 5.357 1.00 0.33 H new ATOM 0 HG3 ARG A 89 -0.702 10.524 5.583 1.00 0.33 H new ATOM 0 HD2 ARG A 89 -2.194 9.637 3.110 1.00 0.83 H new ATOM 0 HD3 ARG A 89 -2.080 11.238 3.812 1.00 0.83 H new ATOM 0 HE ARG A 89 -0.413 10.321 1.692 1.00 2.14 H new ATOM 0 HH11 ARG A 89 -0.207 11.923 4.794 1.00 1.78 H new ATOM 0 HH12 ARG A 89 1.409 12.567 4.482 1.00 1.78 H new ATOM 0 HH21 ARG A 89 1.660 11.104 1.323 1.00 4.02 H new ATOM 0 HH22 ARG A 89 2.453 12.110 2.539 1.00 4.02 H new ATOM 1453 N LEU A 90 -0.811 6.380 3.813 1.00 0.14 N ATOM 1454 CA LEU A 90 -1.814 5.390 3.329 1.00 0.13 C ATOM 1455 C LEU A 90 -1.657 4.083 4.109 1.00 0.12 C ATOM 1456 O LEU A 90 -2.529 3.236 4.102 1.00 0.24 O ATOM 1457 CB LEU A 90 -1.593 5.125 1.839 1.00 0.19 C ATOM 1458 CG LEU A 90 -0.186 4.566 1.622 1.00 0.21 C ATOM 1459 CD1 LEU A 90 -0.270 3.063 1.346 1.00 0.25 C ATOM 1460 CD2 LEU A 90 0.460 5.267 0.425 1.00 0.32 C ATOM 0 H LEU A 90 -0.228 6.797 3.088 1.00 0.14 H new ATOM 0 HA LEU A 90 -2.818 5.786 3.481 1.00 0.13 H new ATOM 0 HB2 LEU A 90 -2.337 4.419 1.470 1.00 0.19 H new ATOM 0 HB3 LEU A 90 -1.721 6.047 1.272 1.00 0.19 H new ATOM 0 HG LEU A 90 0.415 4.738 2.515 1.00 0.21 H new ATOM 0 HD11 LEU A 90 0.733 2.665 1.191 1.00 0.25 H new ATOM 0 HD12 LEU A 90 -0.732 2.562 2.197 1.00 0.25 H new ATOM 0 HD13 LEU A 90 -0.871 2.890 0.453 1.00 0.25 H new ATOM 0 HD21 LEU A 90 1.463 4.870 0.269 1.00 0.32 H new ATOM 0 HD22 LEU A 90 -0.142 5.093 -0.467 1.00 0.32 H new ATOM 0 HD23 LEU A 90 0.520 6.338 0.619 1.00 0.32 H new ATOM 1472 N ASP A 91 -0.553 3.911 4.782 1.00 0.18 N ATOM 1473 CA ASP A 91 -0.342 2.657 5.561 1.00 0.15 C ATOM 1474 C ASP A 91 -1.315 2.621 6.740 1.00 0.14 C ATOM 1475 O ASP A 91 -1.838 1.582 7.094 1.00 0.17 O ATOM 1476 CB ASP A 91 1.095 2.617 6.084 1.00 0.16 C ATOM 1477 CG ASP A 91 1.220 1.530 7.153 1.00 0.16 C ATOM 1478 OD1 ASP A 91 1.338 0.373 6.784 1.00 1.02 O ATOM 1479 OD2 ASP A 91 1.195 1.873 8.323 1.00 1.13 O ATOM 0 H ASP A 91 0.212 4.584 4.827 1.00 0.18 H new ATOM 0 HA ASP A 91 -0.518 1.795 4.918 1.00 0.15 H new ATOM 0 HB2 ASP A 91 1.786 2.417 5.265 1.00 0.16 H new ATOM 0 HB3 ASP A 91 1.368 3.586 6.502 1.00 0.16 H new ATOM 1484 N ARG A 92 -1.562 3.746 7.353 1.00 0.13 N ATOM 1485 CA ARG A 92 -2.500 3.774 8.511 1.00 0.17 C ATOM 1486 C ARG A 92 -3.937 3.901 7.999 1.00 0.17 C ATOM 1487 O ARG A 92 -4.870 3.425 8.614 1.00 0.18 O ATOM 1488 CB ARG A 92 -2.170 4.970 9.406 1.00 0.23 C ATOM 1489 CG ARG A 92 -0.759 4.809 9.974 1.00 0.22 C ATOM 1490 CD ARG A 92 -0.841 4.260 11.399 1.00 0.44 C ATOM 1491 NE ARG A 92 -1.593 5.217 12.258 1.00 1.26 N ATOM 1492 CZ ARG A 92 -2.044 4.835 13.421 1.00 1.76 C ATOM 1493 NH1 ARG A 92 -1.837 3.613 13.832 1.00 1.53 N ATOM 1494 NH2 ARG A 92 -2.702 5.674 14.173 1.00 2.81 N ATOM 0 H ARG A 92 -1.155 4.647 7.102 1.00 0.13 H new ATOM 0 HA ARG A 92 -2.398 2.853 9.084 1.00 0.17 H new ATOM 0 HB2 ARG A 92 -2.240 5.896 8.834 1.00 0.23 H new ATOM 0 HB3 ARG A 92 -2.894 5.041 10.218 1.00 0.23 H new ATOM 0 HG2 ARG A 92 -0.178 4.134 9.346 1.00 0.22 H new ATOM 0 HG3 ARG A 92 -0.243 5.769 9.972 1.00 0.22 H new ATOM 0 HD2 ARG A 92 -1.336 3.289 11.398 1.00 0.44 H new ATOM 0 HD3 ARG A 92 0.161 4.106 11.799 1.00 0.44 H new ATOM 0 HE ARG A 92 -1.755 6.171 11.937 1.00 1.26 H new ATOM 0 HH11 ARG A 92 -1.323 2.957 13.244 1.00 1.53 H new ATOM 0 HH12 ARG A 92 -2.190 3.314 14.741 1.00 1.53 H new ATOM 0 HH21 ARG A 92 -2.864 6.628 13.852 1.00 2.81 H new ATOM 0 HH22 ARG A 92 -3.055 5.375 15.082 1.00 2.81 H new ATOM 1508 N ASN A 93 -4.122 4.540 6.877 1.00 0.17 N ATOM 1509 CA ASN A 93 -5.498 4.697 6.326 1.00 0.19 C ATOM 1510 C ASN A 93 -6.108 3.317 6.077 1.00 0.15 C ATOM 1511 O ASN A 93 -7.250 3.064 6.407 1.00 0.08 O ATOM 1512 CB ASN A 93 -5.435 5.472 5.009 1.00 0.21 C ATOM 1513 CG ASN A 93 -4.809 6.846 5.253 1.00 0.25 C ATOM 1514 OD1 ASN A 93 -3.605 6.966 5.365 1.00 0.95 O ATOM 1515 ND2 ASN A 93 -5.580 7.895 5.340 1.00 0.98 N ATOM 0 H ASN A 93 -3.380 4.960 6.318 1.00 0.17 H new ATOM 0 HA ASN A 93 -6.115 5.243 7.040 1.00 0.19 H new ATOM 0 HB2 ASN A 93 -4.847 4.918 4.277 1.00 0.21 H new ATOM 0 HB3 ASN A 93 -6.436 5.586 4.594 1.00 0.21 H new ATOM 0 HD21 ASN A 93 -5.172 8.816 5.502 1.00 0.98 H new ATOM 0 HD22 ASN A 93 -6.591 7.794 5.246 1.00 0.98 H new ATOM 1522 N LEU A 94 -5.358 2.421 5.497 1.00 0.20 N ATOM 1523 CA LEU A 94 -5.896 1.058 5.227 1.00 0.17 C ATOM 1524 C LEU A 94 -6.209 0.364 6.554 1.00 0.16 C ATOM 1525 O LEU A 94 -7.290 -0.151 6.757 1.00 0.23 O ATOM 1526 CB LEU A 94 -4.857 0.236 4.456 1.00 0.16 C ATOM 1527 CG LEU A 94 -4.474 0.954 3.154 1.00 0.19 C ATOM 1528 CD1 LEU A 94 -3.126 0.427 2.664 1.00 0.50 C ATOM 1529 CD2 LEU A 94 -5.535 0.694 2.077 1.00 0.30 C ATOM 0 H LEU A 94 -4.395 2.574 5.198 1.00 0.20 H new ATOM 0 HA LEU A 94 -6.806 1.140 4.632 1.00 0.17 H new ATOM 0 HB2 LEU A 94 -3.970 0.087 5.072 1.00 0.16 H new ATOM 0 HB3 LEU A 94 -5.258 -0.752 4.231 1.00 0.16 H new ATOM 0 HG LEU A 94 -4.410 2.025 3.345 1.00 0.19 H new ATOM 0 HD11 LEU A 94 -2.851 0.935 1.740 1.00 0.50 H new ATOM 0 HD12 LEU A 94 -2.365 0.615 3.421 1.00 0.50 H new ATOM 0 HD13 LEU A 94 -3.199 -0.645 2.481 1.00 0.50 H new ATOM 0 HD21 LEU A 94 -5.254 1.208 1.158 1.00 0.30 H new ATOM 0 HD22 LEU A 94 -5.606 -0.377 1.887 1.00 0.30 H new ATOM 0 HD23 LEU A 94 -6.500 1.066 2.420 1.00 0.30 H new ATOM 1541 N TRP A 95 -5.270 0.347 7.460 1.00 0.26 N ATOM 1542 CA TRP A 95 -5.515 -0.314 8.774 1.00 0.24 C ATOM 1543 C TRP A 95 -6.525 0.507 9.577 1.00 0.27 C ATOM 1544 O TRP A 95 -6.941 0.119 10.650 1.00 0.37 O ATOM 1545 CB TRP A 95 -4.201 -0.407 9.551 1.00 0.22 C ATOM 1546 CG TRP A 95 -4.459 -1.009 10.895 1.00 0.19 C ATOM 1547 CD1 TRP A 95 -4.613 -0.309 12.043 1.00 0.31 C ATOM 1548 CD2 TRP A 95 -4.595 -2.416 11.251 1.00 0.15 C ATOM 1549 NE1 TRP A 95 -4.836 -1.197 13.081 1.00 0.25 N ATOM 1550 CE2 TRP A 95 -4.834 -2.507 12.643 1.00 0.13 C ATOM 1551 CE3 TRP A 95 -4.537 -3.609 10.509 1.00 0.30 C ATOM 1552 CZ2 TRP A 95 -5.008 -3.738 13.275 1.00 0.20 C ATOM 1553 CZ3 TRP A 95 -4.712 -4.850 11.143 1.00 0.43 C ATOM 1554 CH2 TRP A 95 -4.947 -4.914 12.524 1.00 0.37 C ATOM 0 H TRP A 95 -4.345 0.762 7.348 1.00 0.26 H new ATOM 0 HA TRP A 95 -5.911 -1.316 8.608 1.00 0.24 H new ATOM 0 HB2 TRP A 95 -3.483 -1.014 9.000 1.00 0.22 H new ATOM 0 HB3 TRP A 95 -3.761 0.584 9.663 1.00 0.22 H new ATOM 0 HD1 TRP A 95 -4.569 0.766 12.134 1.00 0.31 H new ATOM 0 HE1 TRP A 95 -4.984 -0.918 14.051 1.00 0.25 H new ATOM 0 HE3 TRP A 95 -4.357 -3.571 9.445 1.00 0.30 H new ATOM 0 HZ2 TRP A 95 -5.189 -3.782 14.339 1.00 0.20 H new ATOM 0 HZ3 TRP A 95 -4.665 -5.760 10.564 1.00 0.43 H new ATOM 0 HH2 TRP A 95 -5.081 -5.871 13.006 1.00 0.37 H new ATOM 1565 N GLY A 96 -6.923 1.640 9.066 1.00 0.21 N ATOM 1566 CA GLY A 96 -7.906 2.486 9.802 1.00 0.23 C ATOM 1567 C GLY A 96 -9.324 1.994 9.509 1.00 0.24 C ATOM 1568 O GLY A 96 -10.002 1.472 10.373 1.00 0.20 O ATOM 0 H GLY A 96 -6.610 2.017 8.171 1.00 0.21 H new ATOM 0 HA2 GLY A 96 -7.709 2.443 10.873 1.00 0.23 H new ATOM 0 HA3 GLY A 96 -7.802 3.528 9.501 1.00 0.23 H new ATOM 1572 N LEU A 97 -9.781 2.156 8.298 1.00 0.31 N ATOM 1573 CA LEU A 97 -11.156 1.699 7.952 1.00 0.34 C ATOM 1574 C LEU A 97 -11.275 0.194 8.202 1.00 0.35 C ATOM 1575 O LEU A 97 -12.322 -0.394 8.019 1.00 0.37 O ATOM 1576 CB LEU A 97 -11.454 2.007 6.477 1.00 0.36 C ATOM 1577 CG LEU A 97 -10.309 1.507 5.577 1.00 0.38 C ATOM 1578 CD1 LEU A 97 -10.291 -0.026 5.515 1.00 0.34 C ATOM 1579 CD2 LEU A 97 -10.504 2.062 4.165 1.00 0.41 C ATOM 0 H LEU A 97 -9.261 2.585 7.533 1.00 0.31 H new ATOM 0 HA LEU A 97 -11.877 2.226 8.577 1.00 0.34 H new ATOM 0 HB2 LEU A 97 -12.390 1.531 6.182 1.00 0.36 H new ATOM 0 HB3 LEU A 97 -11.586 3.081 6.344 1.00 0.36 H new ATOM 0 HG LEU A 97 -9.362 1.850 5.994 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -9.473 -0.355 4.873 1.00 0.34 H new ATOM 0 HD12 LEU A 97 -10.150 -0.429 6.518 1.00 0.34 H new ATOM 0 HD13 LEU A 97 -11.237 -0.385 5.110 1.00 0.34 H new ATOM 0 HD21 LEU A 97 -9.697 1.712 3.522 1.00 0.41 H new ATOM 0 HD22 LEU A 97 -11.459 1.719 3.768 1.00 0.41 H new ATOM 0 HD23 LEU A 97 -10.495 3.151 4.198 1.00 0.41 H new ATOM 1591 N ALA A 98 -10.209 -0.433 8.617 1.00 0.33 N ATOM 1592 CA ALA A 98 -10.263 -1.899 8.877 1.00 0.35 C ATOM 1593 C ALA A 98 -10.764 -2.148 10.300 1.00 0.36 C ATOM 1594 O ALA A 98 -11.852 -2.648 10.507 1.00 0.44 O ATOM 1595 CB ALA A 98 -8.863 -2.497 8.716 1.00 0.30 C ATOM 0 H ALA A 98 -9.304 0.006 8.787 1.00 0.33 H new ATOM 0 HA ALA A 98 -10.943 -2.369 8.167 1.00 0.35 H new ATOM 0 HB1 ALA A 98 -8.901 -3.570 8.906 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -8.507 -2.321 7.701 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -8.183 -2.027 9.426 1.00 0.30 H new ATOM 1601 N GLY A 99 -9.980 -1.802 11.285 1.00 0.28 N ATOM 1602 CA GLY A 99 -10.413 -2.018 12.694 1.00 0.29 C ATOM 1603 C GLY A 99 -10.253 -3.496 13.057 1.00 0.29 C ATOM 1604 O GLY A 99 -10.917 -4.004 13.939 1.00 0.46 O ATOM 0 H GLY A 99 -9.058 -1.379 11.174 1.00 0.28 H new ATOM 0 HA2 GLY A 99 -9.818 -1.401 13.367 1.00 0.29 H new ATOM 0 HA3 GLY A 99 -11.452 -1.713 12.817 1.00 0.29 H new ATOM 1608 N LEU A 100 -9.376 -4.191 12.385 1.00 0.22 N ATOM 1609 CA LEU A 100 -9.175 -5.635 12.693 1.00 0.23 C ATOM 1610 C LEU A 100 -8.181 -5.776 13.847 1.00 0.29 C ATOM 1611 O LEU A 100 -7.176 -5.095 13.899 1.00 0.51 O ATOM 1612 CB LEU A 100 -8.628 -6.349 11.456 1.00 0.20 C ATOM 1613 CG LEU A 100 -9.734 -6.474 10.406 1.00 1.01 C ATOM 1614 CD1 LEU A 100 -9.115 -6.453 9.008 1.00 1.41 C ATOM 1615 CD2 LEU A 100 -10.483 -7.792 10.611 1.00 1.48 C ATOM 0 H LEU A 100 -8.790 -3.821 11.636 1.00 0.22 H new ATOM 0 HA LEU A 100 -10.127 -6.082 12.978 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -7.784 -5.794 11.046 1.00 0.20 H new ATOM 0 HB3 LEU A 100 -8.257 -7.337 11.728 1.00 0.20 H new ATOM 0 HG LEU A 100 -10.428 -5.640 10.508 1.00 1.01 H new ATOM 0 HD11 LEU A 100 -9.903 -6.542 8.260 1.00 1.41 H new ATOM 0 HD12 LEU A 100 -8.580 -5.515 8.861 1.00 1.41 H new ATOM 0 HD13 LEU A 100 -8.421 -7.287 8.905 1.00 1.41 H new ATOM 0 HD21 LEU A 100 -11.271 -7.883 9.864 1.00 1.48 H new ATOM 0 HD22 LEU A 100 -9.788 -8.625 10.508 1.00 1.48 H new ATOM 0 HD23 LEU A 100 -10.924 -7.809 11.608 1.00 1.48 H new ATOM 1627 N ASN A 101 -8.452 -6.655 14.772 1.00 0.31 N ATOM 1628 CA ASN A 101 -7.520 -6.839 15.921 1.00 0.40 C ATOM 1629 C ASN A 101 -6.526 -7.955 15.598 1.00 0.36 C ATOM 1630 O ASN A 101 -5.347 -7.719 15.424 1.00 0.37 O ATOM 1631 CB ASN A 101 -8.321 -7.214 17.170 1.00 0.53 C ATOM 1632 CG ASN A 101 -7.392 -7.231 18.386 1.00 1.06 C ATOM 1633 OD1 ASN A 101 -7.525 -8.070 19.254 1.00 2.00 O ATOM 1634 ND2 ASN A 101 -6.453 -6.331 18.486 1.00 1.40 N ATOM 0 H ASN A 101 -9.278 -7.254 14.782 1.00 0.31 H new ATOM 0 HA ASN A 101 -6.977 -5.911 16.102 1.00 0.40 H new ATOM 0 HB2 ASN A 101 -9.128 -6.498 17.326 1.00 0.53 H new ATOM 0 HB3 ASN A 101 -8.783 -8.192 17.038 1.00 0.53 H new ATOM 0 HD21 ASN A 101 -5.830 -6.332 19.294 1.00 1.40 H new ATOM 0 HD22 ASN A 101 -6.342 -5.627 17.757 1.00 1.40 H new ATOM 1641 N SER A 102 -6.991 -9.173 15.519 1.00 0.38 N ATOM 1642 CA SER A 102 -6.071 -10.303 15.209 1.00 0.33 C ATOM 1643 C SER A 102 -5.930 -10.444 13.692 1.00 0.18 C ATOM 1644 O SER A 102 -6.902 -10.432 12.964 1.00 0.17 O ATOM 1645 CB SER A 102 -6.641 -11.597 15.789 1.00 0.41 C ATOM 1646 OG SER A 102 -7.088 -12.431 14.729 1.00 1.71 O ATOM 0 H SER A 102 -7.968 -9.433 15.656 1.00 0.38 H new ATOM 0 HA SER A 102 -5.093 -10.107 15.649 1.00 0.33 H new ATOM 0 HB2 SER A 102 -5.880 -12.112 16.376 1.00 0.41 H new ATOM 0 HB3 SER A 102 -7.467 -11.373 16.464 1.00 0.41 H new ATOM 0 HG SER A 102 -7.453 -13.262 15.098 1.00 1.71 H new ATOM 1652 N CYS A 103 -4.724 -10.579 13.209 1.00 0.17 N ATOM 1653 CA CYS A 103 -4.520 -10.720 11.741 1.00 0.11 C ATOM 1654 C CYS A 103 -3.101 -11.231 11.462 1.00 0.22 C ATOM 1655 O CYS A 103 -2.284 -10.506 10.929 1.00 0.34 O ATOM 1656 CB CYS A 103 -4.704 -9.356 11.073 1.00 0.16 C ATOM 1657 SG CYS A 103 -4.935 -9.583 9.292 1.00 0.15 S ATOM 0 H CYS A 103 -3.872 -10.598 13.769 1.00 0.17 H new ATOM 0 HA CYS A 103 -5.245 -11.429 11.342 1.00 0.11 H new ATOM 0 HB2 CYS A 103 -5.566 -8.843 11.500 1.00 0.16 H new ATOM 0 HB3 CYS A 103 -3.834 -8.727 11.260 1.00 0.16 H new ATOM 1662 N PRO A 104 -2.838 -12.462 11.835 1.00 0.20 N ATOM 1663 CA PRO A 104 -1.510 -13.069 11.631 1.00 0.30 C ATOM 1664 C PRO A 104 -1.201 -13.174 10.134 1.00 0.36 C ATOM 1665 O PRO A 104 -2.090 -13.261 9.311 1.00 0.35 O ATOM 1666 CB PRO A 104 -1.612 -14.465 12.259 1.00 0.25 C ATOM 1667 CG PRO A 104 -3.051 -14.631 12.808 1.00 0.14 C ATOM 1668 CD PRO A 104 -3.827 -13.345 12.487 1.00 0.10 C ATOM 0 HA PRO A 104 -0.711 -12.478 12.079 1.00 0.30 H new ATOM 0 HB2 PRO A 104 -1.394 -15.234 11.518 1.00 0.25 H new ATOM 0 HB3 PRO A 104 -0.882 -14.578 13.060 1.00 0.25 H new ATOM 0 HG2 PRO A 104 -3.537 -15.494 12.352 1.00 0.14 H new ATOM 0 HG3 PRO A 104 -3.032 -14.807 13.883 1.00 0.14 H new ATOM 0 HD2 PRO A 104 -4.672 -13.547 11.829 1.00 0.10 H new ATOM 0 HD3 PRO A 104 -4.229 -12.889 13.392 1.00 0.10 H new ATOM 1676 N VAL A 105 0.054 -13.168 9.778 1.00 0.49 N ATOM 1677 CA VAL A 105 0.422 -13.268 8.337 1.00 0.58 C ATOM 1678 C VAL A 105 0.644 -14.741 7.975 1.00 0.51 C ATOM 1679 O VAL A 105 0.533 -15.615 8.812 1.00 0.59 O ATOM 1680 CB VAL A 105 1.702 -12.455 8.086 1.00 0.77 C ATOM 1681 CG1 VAL A 105 2.939 -13.349 8.230 1.00 0.57 C ATOM 1682 CG2 VAL A 105 1.667 -11.857 6.676 1.00 1.00 C ATOM 0 H VAL A 105 0.841 -13.098 10.423 1.00 0.49 H new ATOM 0 HA VAL A 105 -0.379 -12.868 7.715 1.00 0.58 H new ATOM 0 HB VAL A 105 1.756 -11.653 8.823 1.00 0.77 H new ATOM 0 HG11 VAL A 105 3.837 -12.759 8.049 1.00 0.57 H new ATOM 0 HG12 VAL A 105 2.973 -13.763 9.238 1.00 0.57 H new ATOM 0 HG13 VAL A 105 2.887 -14.162 7.505 1.00 0.57 H new ATOM 0 HG21 VAL A 105 2.576 -11.281 6.502 1.00 1.00 H new ATOM 0 HG22 VAL A 105 1.600 -12.660 5.942 1.00 1.00 H new ATOM 0 HG23 VAL A 105 0.800 -11.204 6.579 1.00 1.00 H new ATOM 1692 N LYS A 106 0.956 -15.022 6.738 1.00 0.97 N ATOM 1693 CA LYS A 106 1.185 -16.437 6.322 1.00 0.92 C ATOM 1694 C LYS A 106 2.351 -16.494 5.332 1.00 0.90 C ATOM 1695 O LYS A 106 3.428 -15.997 5.600 1.00 0.92 O ATOM 1696 CB LYS A 106 -0.080 -16.983 5.654 1.00 0.89 C ATOM 1697 CG LYS A 106 0.000 -18.509 5.579 1.00 1.13 C ATOM 1698 CD LYS A 106 -0.804 -19.004 4.375 1.00 1.17 C ATOM 1699 CE LYS A 106 -1.311 -20.421 4.647 1.00 0.90 C ATOM 1700 NZ LYS A 106 -2.073 -20.912 3.465 1.00 1.70 N ATOM 0 H LYS A 106 1.062 -14.331 5.995 1.00 0.97 H new ATOM 0 HA LYS A 106 1.422 -17.041 7.198 1.00 0.92 H new ATOM 0 HB2 LYS A 106 -0.962 -16.682 6.220 1.00 0.89 H new ATOM 0 HB3 LYS A 106 -0.185 -16.564 4.653 1.00 0.89 H new ATOM 0 HG2 LYS A 106 1.039 -18.825 5.490 1.00 1.13 H new ATOM 0 HG3 LYS A 106 -0.390 -18.950 6.496 1.00 1.13 H new ATOM 0 HD2 LYS A 106 -1.644 -18.336 4.186 1.00 1.17 H new ATOM 0 HD3 LYS A 106 -0.182 -18.995 3.480 1.00 1.17 H new ATOM 0 HE2 LYS A 106 -0.472 -21.085 4.854 1.00 0.90 H new ATOM 0 HE3 LYS A 106 -1.948 -20.427 5.532 1.00 0.90 H new ATOM 0 HZ1 LYS A 106 -2.418 -21.876 3.650 1.00 1.70 H new ATOM 0 HZ2 LYS A 106 -2.882 -20.283 3.288 1.00 1.70 H new ATOM 0 HZ3 LYS A 106 -1.452 -20.921 2.631 1.00 1.70 H new ATOM 1714 N GLU A 107 2.147 -17.095 4.192 1.00 0.85 N ATOM 1715 CA GLU A 107 3.245 -17.183 3.190 1.00 0.82 C ATOM 1716 C GLU A 107 2.654 -17.138 1.779 1.00 0.67 C ATOM 1717 O GLU A 107 1.487 -17.410 1.576 1.00 0.91 O ATOM 1718 CB GLU A 107 4.007 -18.496 3.381 1.00 1.22 C ATOM 1719 CG GLU A 107 4.900 -18.393 4.619 1.00 1.53 C ATOM 1720 CD GLU A 107 5.708 -19.683 4.775 1.00 1.64 C ATOM 1721 OE1 GLU A 107 5.561 -20.555 3.936 1.00 1.16 O ATOM 1722 OE2 GLU A 107 6.460 -19.775 5.731 1.00 2.60 O ATOM 0 H GLU A 107 1.267 -17.529 3.912 1.00 0.85 H new ATOM 0 HA GLU A 107 3.927 -16.344 3.325 1.00 0.82 H new ATOM 0 HB2 GLU A 107 3.306 -19.323 3.493 1.00 1.22 H new ATOM 0 HB3 GLU A 107 4.612 -18.709 2.500 1.00 1.22 H new ATOM 0 HG2 GLU A 107 5.572 -17.540 4.526 1.00 1.53 H new ATOM 0 HG3 GLU A 107 4.291 -18.223 5.507 1.00 1.53 H new ATOM 1729 N ALA A 108 3.449 -16.795 0.803 1.00 0.57 N ATOM 1730 CA ALA A 108 2.932 -16.733 -0.592 1.00 0.59 C ATOM 1731 C ALA A 108 4.106 -16.615 -1.567 1.00 0.47 C ATOM 1732 O ALA A 108 5.215 -17.015 -1.268 1.00 0.56 O ATOM 1733 CB ALA A 108 2.020 -15.513 -0.745 1.00 0.61 C ATOM 0 H ALA A 108 4.434 -16.555 0.912 1.00 0.57 H new ATOM 0 HA ALA A 108 2.367 -17.640 -0.810 1.00 0.59 H new ATOM 0 HB1 ALA A 108 1.641 -15.467 -1.766 1.00 0.61 H new ATOM 0 HB2 ALA A 108 1.183 -15.595 -0.051 1.00 0.61 H new ATOM 0 HB3 ALA A 108 2.585 -14.607 -0.527 1.00 0.61 H new ATOM 1739 N ASP A 109 3.873 -16.070 -2.729 1.00 0.31 N ATOM 1740 CA ASP A 109 4.977 -15.928 -3.720 1.00 0.24 C ATOM 1741 C ASP A 109 5.632 -14.555 -3.561 1.00 0.15 C ATOM 1742 O ASP A 109 5.981 -14.146 -2.471 1.00 0.13 O ATOM 1743 CB ASP A 109 4.411 -16.062 -5.136 1.00 0.19 C ATOM 1744 CG ASP A 109 3.776 -17.443 -5.304 1.00 0.27 C ATOM 1745 OD1 ASP A 109 3.275 -17.967 -4.323 1.00 1.36 O ATOM 1746 OD2 ASP A 109 3.802 -17.954 -6.412 1.00 1.54 O ATOM 0 H ASP A 109 2.966 -15.717 -3.035 1.00 0.31 H new ATOM 0 HA ASP A 109 5.720 -16.707 -3.550 1.00 0.24 H new ATOM 0 HB2 ASP A 109 3.669 -15.285 -5.317 1.00 0.19 H new ATOM 0 HB3 ASP A 109 5.204 -15.923 -5.871 1.00 0.19 H new ATOM 1751 N GLN A 110 5.805 -13.841 -4.639 1.00 0.18 N ATOM 1752 CA GLN A 110 6.437 -12.495 -4.548 1.00 0.12 C ATOM 1753 C GLN A 110 5.843 -11.579 -5.620 1.00 0.07 C ATOM 1754 O GLN A 110 5.183 -12.027 -6.536 1.00 0.12 O ATOM 1755 CB GLN A 110 7.947 -12.625 -4.768 1.00 0.23 C ATOM 1756 CG GLN A 110 8.677 -12.387 -3.445 1.00 0.88 C ATOM 1757 CD GLN A 110 10.146 -12.792 -3.593 1.00 0.79 C ATOM 1758 OE1 GLN A 110 10.866 -12.878 -2.618 1.00 1.73 O ATOM 1759 NE2 GLN A 110 10.623 -13.045 -4.781 1.00 0.92 N ATOM 0 H GLN A 110 5.536 -14.132 -5.579 1.00 0.18 H new ATOM 0 HA GLN A 110 6.248 -12.071 -3.562 1.00 0.12 H new ATOM 0 HB2 GLN A 110 8.185 -13.616 -5.154 1.00 0.23 H new ATOM 0 HB3 GLN A 110 8.280 -11.904 -5.514 1.00 0.23 H new ATOM 0 HG2 GLN A 110 8.605 -11.337 -3.161 1.00 0.88 H new ATOM 0 HG3 GLN A 110 8.208 -12.965 -2.649 1.00 0.88 H new ATOM 0 HE21 GLN A 110 10.018 -12.973 -5.599 1.00 0.92 H new ATOM 0 HE22 GLN A 110 11.600 -13.315 -4.891 1.00 0.92 H new ATOM 1768 N SER A 111 6.071 -10.299 -5.513 1.00 0.08 N ATOM 1769 CA SER A 111 5.518 -9.357 -6.528 1.00 0.09 C ATOM 1770 C SER A 111 6.315 -8.051 -6.500 1.00 0.15 C ATOM 1771 O SER A 111 6.470 -7.428 -5.468 1.00 0.65 O ATOM 1772 CB SER A 111 4.052 -9.066 -6.207 1.00 0.10 C ATOM 1773 OG SER A 111 3.889 -8.974 -4.798 1.00 0.20 O ATOM 0 H SER A 111 6.615 -9.865 -4.768 1.00 0.08 H new ATOM 0 HA SER A 111 5.591 -9.806 -7.519 1.00 0.09 H new ATOM 0 HB2 SER A 111 3.742 -8.135 -6.682 1.00 0.10 H new ATOM 0 HB3 SER A 111 3.416 -9.856 -6.607 1.00 0.10 H new ATOM 0 HG SER A 111 4.627 -8.454 -4.417 1.00 0.20 H new ATOM 1779 N THR A 112 6.824 -7.631 -7.625 1.00 0.37 N ATOM 1780 CA THR A 112 7.610 -6.366 -7.662 1.00 0.35 C ATOM 1781 C THR A 112 6.758 -5.221 -7.114 1.00 0.35 C ATOM 1782 O THR A 112 5.586 -5.107 -7.414 1.00 0.35 O ATOM 1783 CB THR A 112 8.011 -6.057 -9.107 1.00 0.31 C ATOM 1784 OG1 THR A 112 6.845 -5.994 -9.917 1.00 0.16 O ATOM 1785 CG2 THR A 112 8.938 -7.156 -9.628 1.00 0.39 C ATOM 0 H THR A 112 6.730 -8.109 -8.521 1.00 0.37 H new ATOM 0 HA THR A 112 8.506 -6.477 -7.052 1.00 0.35 H new ATOM 0 HB THR A 112 8.531 -5.100 -9.143 1.00 0.31 H new ATOM 0 HG1 THR A 112 7.100 -5.795 -10.842 1.00 0.16 H new ATOM 0 HG21 THR A 112 9.223 -6.935 -10.657 1.00 0.39 H new ATOM 0 HG22 THR A 112 9.832 -7.203 -9.006 1.00 0.39 H new ATOM 0 HG23 THR A 112 8.421 -8.115 -9.593 1.00 0.39 H new ATOM 1793 N LEU A 113 7.335 -4.370 -6.310 1.00 0.35 N ATOM 1794 CA LEU A 113 6.557 -3.234 -5.743 1.00 0.36 C ATOM 1795 C LEU A 113 5.774 -2.547 -6.864 1.00 0.33 C ATOM 1796 O LEU A 113 4.656 -2.110 -6.675 1.00 0.39 O ATOM 1797 CB LEU A 113 7.521 -2.230 -5.099 1.00 0.35 C ATOM 1798 CG LEU A 113 6.734 -1.099 -4.424 1.00 0.33 C ATOM 1799 CD1 LEU A 113 5.876 -1.661 -3.285 1.00 0.27 C ATOM 1800 CD2 LEU A 113 7.715 -0.072 -3.856 1.00 0.41 C ATOM 0 H LEU A 113 8.312 -4.413 -6.022 1.00 0.35 H new ATOM 0 HA LEU A 113 5.862 -3.604 -4.989 1.00 0.36 H new ATOM 0 HB2 LEU A 113 8.147 -2.736 -4.364 1.00 0.35 H new ATOM 0 HB3 LEU A 113 8.188 -1.818 -5.856 1.00 0.35 H new ATOM 0 HG LEU A 113 6.084 -0.627 -5.161 1.00 0.33 H new ATOM 0 HD11 LEU A 113 5.322 -0.850 -2.813 1.00 0.27 H new ATOM 0 HD12 LEU A 113 5.176 -2.394 -3.685 1.00 0.27 H new ATOM 0 HD13 LEU A 113 6.520 -2.139 -2.546 1.00 0.27 H new ATOM 0 HD21 LEU A 113 7.160 0.734 -3.375 1.00 0.41 H new ATOM 0 HD22 LEU A 113 8.363 -0.554 -3.124 1.00 0.41 H new ATOM 0 HD23 LEU A 113 8.322 0.337 -4.664 1.00 0.41 H new ATOM 1812 N GLU A 114 6.351 -2.448 -8.030 1.00 0.30 N ATOM 1813 CA GLU A 114 5.638 -1.790 -9.161 1.00 0.29 C ATOM 1814 C GLU A 114 4.348 -2.552 -9.466 1.00 0.26 C ATOM 1815 O GLU A 114 3.262 -2.100 -9.164 1.00 0.28 O ATOM 1816 CB GLU A 114 6.537 -1.791 -10.399 1.00 0.27 C ATOM 1817 CG GLU A 114 5.990 -0.799 -11.429 1.00 0.35 C ATOM 1818 CD GLU A 114 6.927 -0.748 -12.636 1.00 0.61 C ATOM 1819 OE1 GLU A 114 8.083 -0.402 -12.451 1.00 1.29 O ATOM 1820 OE2 GLU A 114 6.474 -1.056 -13.727 1.00 1.09 O ATOM 0 H GLU A 114 7.285 -2.794 -8.248 1.00 0.30 H new ATOM 0 HA GLU A 114 5.395 -0.763 -8.888 1.00 0.29 H new ATOM 0 HB2 GLU A 114 7.556 -1.519 -10.122 1.00 0.27 H new ATOM 0 HB3 GLU A 114 6.580 -2.792 -10.829 1.00 0.27 H new ATOM 0 HG2 GLU A 114 4.991 -1.099 -11.744 1.00 0.35 H new ATOM 0 HG3 GLU A 114 5.900 0.192 -10.983 1.00 0.35 H new ATOM 1827 N ASN A 115 4.458 -3.708 -10.062 1.00 0.23 N ATOM 1828 CA ASN A 115 3.237 -4.498 -10.387 1.00 0.21 C ATOM 1829 C ASN A 115 2.326 -4.554 -9.159 1.00 0.20 C ATOM 1830 O ASN A 115 1.123 -4.408 -9.258 1.00 0.20 O ATOM 1831 CB ASN A 115 3.639 -5.919 -10.787 1.00 0.20 C ATOM 1832 CG ASN A 115 4.428 -5.876 -12.097 1.00 0.30 C ATOM 1833 OD1 ASN A 115 4.949 -4.844 -12.473 1.00 1.23 O ATOM 1834 ND2 ASN A 115 4.539 -6.961 -12.814 1.00 1.38 N ATOM 0 H ASN A 115 5.340 -4.139 -10.338 1.00 0.23 H new ATOM 0 HA ASN A 115 2.707 -4.024 -11.213 1.00 0.21 H new ATOM 0 HB2 ASN A 115 4.243 -6.372 -10.001 1.00 0.20 H new ATOM 0 HB3 ASN A 115 2.751 -6.540 -10.905 1.00 0.20 H new ATOM 0 HD21 ASN A 115 5.063 -6.943 -13.689 1.00 1.38 H new ATOM 0 HD22 ASN A 115 4.102 -7.827 -12.499 1.00 1.38 H new ATOM 1841 N PHE A 116 2.888 -4.763 -8.000 1.00 0.21 N ATOM 1842 CA PHE A 116 2.054 -4.828 -6.768 1.00 0.23 C ATOM 1843 C PHE A 116 1.209 -3.558 -6.658 1.00 0.28 C ATOM 1844 O PHE A 116 0.013 -3.612 -6.453 1.00 0.30 O ATOM 1845 CB PHE A 116 2.963 -4.944 -5.542 1.00 0.22 C ATOM 1846 CG PHE A 116 2.120 -4.971 -4.290 1.00 0.20 C ATOM 1847 CD1 PHE A 116 1.634 -3.776 -3.747 1.00 0.11 C ATOM 1848 CD2 PHE A 116 1.824 -6.192 -3.672 1.00 0.27 C ATOM 1849 CE1 PHE A 116 0.852 -3.801 -2.586 1.00 0.08 C ATOM 1850 CE2 PHE A 116 1.042 -6.217 -2.511 1.00 0.26 C ATOM 1851 CZ PHE A 116 0.557 -5.022 -1.968 1.00 0.16 C ATOM 0 H PHE A 116 3.889 -4.892 -7.854 1.00 0.21 H new ATOM 0 HA PHE A 116 1.399 -5.698 -6.818 1.00 0.23 H new ATOM 0 HB2 PHE A 116 3.565 -5.850 -5.607 1.00 0.22 H new ATOM 0 HB3 PHE A 116 3.655 -4.103 -5.509 1.00 0.22 H new ATOM 0 HD1 PHE A 116 1.862 -2.834 -4.224 1.00 0.11 H new ATOM 0 HD2 PHE A 116 2.199 -7.114 -4.091 1.00 0.27 H new ATOM 0 HE1 PHE A 116 0.477 -2.879 -2.167 1.00 0.08 H new ATOM 0 HE2 PHE A 116 0.813 -7.159 -2.034 1.00 0.26 H new ATOM 0 HZ PHE A 116 -0.045 -5.042 -1.072 1.00 0.16 H new ATOM 1861 N LEU A 117 1.821 -2.413 -6.793 1.00 0.33 N ATOM 1862 CA LEU A 117 1.052 -1.141 -6.697 1.00 0.39 C ATOM 1863 C LEU A 117 0.073 -1.047 -7.869 1.00 0.41 C ATOM 1864 O LEU A 117 -0.888 -0.306 -7.829 1.00 0.52 O ATOM 1865 CB LEU A 117 2.020 0.045 -6.743 1.00 0.43 C ATOM 1866 CG LEU A 117 2.361 0.489 -5.316 1.00 0.39 C ATOM 1867 CD1 LEU A 117 3.526 1.480 -5.358 1.00 0.39 C ATOM 1868 CD2 LEU A 117 1.145 1.164 -4.670 1.00 0.32 C ATOM 0 H LEU A 117 2.820 -2.304 -6.966 1.00 0.33 H new ATOM 0 HA LEU A 117 0.498 -1.121 -5.759 1.00 0.39 H new ATOM 0 HB2 LEU A 117 2.930 -0.236 -7.274 1.00 0.43 H new ATOM 0 HB3 LEU A 117 1.572 0.872 -7.294 1.00 0.43 H new ATOM 0 HG LEU A 117 2.639 -0.385 -4.728 1.00 0.39 H new ATOM 0 HD11 LEU A 117 3.770 1.797 -4.344 1.00 0.39 H new ATOM 0 HD12 LEU A 117 4.395 1.001 -5.808 1.00 0.39 H new ATOM 0 HD13 LEU A 117 3.243 2.349 -5.952 1.00 0.39 H new ATOM 0 HD21 LEU A 117 1.398 1.476 -3.657 1.00 0.32 H new ATOM 0 HD22 LEU A 117 0.859 2.036 -5.257 1.00 0.32 H new ATOM 0 HD23 LEU A 117 0.313 0.460 -4.636 1.00 0.32 H new ATOM 1880 N GLU A 118 0.310 -1.795 -8.913 1.00 0.33 N ATOM 1881 CA GLU A 118 -0.607 -1.748 -10.086 1.00 0.35 C ATOM 1882 C GLU A 118 -1.849 -2.593 -9.796 1.00 0.34 C ATOM 1883 O GLU A 118 -2.949 -2.086 -9.703 1.00 0.34 O ATOM 1884 CB GLU A 118 0.112 -2.303 -11.317 1.00 0.36 C ATOM 1885 CG GLU A 118 -0.489 -1.684 -12.581 1.00 0.59 C ATOM 1886 CD GLU A 118 0.233 -0.374 -12.901 1.00 1.49 C ATOM 1887 OE1 GLU A 118 1.318 -0.438 -13.455 1.00 1.78 O ATOM 1888 OE2 GLU A 118 -0.312 0.672 -12.587 1.00 2.33 O ATOM 0 H GLU A 118 1.098 -2.436 -9.003 1.00 0.33 H new ATOM 0 HA GLU A 118 -0.905 -0.717 -10.274 1.00 0.35 H new ATOM 0 HB2 GLU A 118 1.177 -2.079 -11.261 1.00 0.36 H new ATOM 0 HB3 GLU A 118 0.015 -3.388 -11.349 1.00 0.36 H new ATOM 0 HG2 GLU A 118 -0.396 -2.377 -13.417 1.00 0.59 H new ATOM 0 HG3 GLU A 118 -1.554 -1.499 -12.437 1.00 0.59 H new ATOM 1895 N ARG A 119 -1.682 -3.880 -9.654 1.00 0.32 N ATOM 1896 CA ARG A 119 -2.854 -4.755 -9.370 1.00 0.31 C ATOM 1897 C ARG A 119 -3.634 -4.193 -8.179 1.00 0.29 C ATOM 1898 O ARG A 119 -4.848 -4.219 -8.153 1.00 0.32 O ATOM 1899 CB ARG A 119 -2.367 -6.168 -9.040 1.00 0.31 C ATOM 1900 CG ARG A 119 -1.442 -6.119 -7.822 1.00 0.30 C ATOM 1901 CD ARG A 119 -0.652 -7.425 -7.727 1.00 0.29 C ATOM 1902 NE ARG A 119 -1.376 -8.498 -8.467 1.00 0.03 N ATOM 1903 CZ ARG A 119 -0.759 -9.607 -8.776 1.00 0.13 C ATOM 1904 NH1 ARG A 119 0.489 -9.776 -8.435 1.00 0.33 N ATOM 1905 NH2 ARG A 119 -1.393 -10.545 -9.425 1.00 0.34 N ATOM 0 H ARG A 119 -0.786 -4.362 -9.722 1.00 0.32 H new ATOM 0 HA ARG A 119 -3.503 -4.789 -10.245 1.00 0.31 H new ATOM 0 HB2 ARG A 119 -3.218 -6.819 -8.838 1.00 0.31 H new ATOM 0 HB3 ARG A 119 -1.838 -6.590 -9.894 1.00 0.31 H new ATOM 0 HG2 ARG A 119 -0.759 -5.274 -7.905 1.00 0.30 H new ATOM 0 HG3 ARG A 119 -2.026 -5.969 -6.914 1.00 0.30 H new ATOM 0 HD2 ARG A 119 0.346 -7.290 -8.144 1.00 0.29 H new ATOM 0 HD3 ARG A 119 -0.525 -7.711 -6.683 1.00 0.29 H new ATOM 0 HE ARG A 119 -2.352 -8.366 -8.732 1.00 0.03 H new ATOM 0 HH11 ARG A 119 0.983 -9.042 -7.927 1.00 0.33 H new ATOM 0 HH12 ARG A 119 0.971 -10.642 -8.676 1.00 0.33 H new ATOM 0 HH21 ARG A 119 -2.369 -10.411 -9.690 1.00 0.34 H new ATOM 0 HH22 ARG A 119 -0.913 -11.412 -9.667 1.00 0.34 H new ATOM 1919 N LEU A 120 -2.947 -3.686 -7.193 1.00 0.25 N ATOM 1920 CA LEU A 120 -3.650 -3.123 -6.006 1.00 0.22 C ATOM 1921 C LEU A 120 -4.533 -1.956 -6.453 1.00 0.21 C ATOM 1922 O LEU A 120 -5.734 -1.968 -6.272 1.00 0.21 O ATOM 1923 CB LEU A 120 -2.615 -2.628 -4.991 1.00 0.20 C ATOM 1924 CG LEU A 120 -3.252 -2.529 -3.599 1.00 0.18 C ATOM 1925 CD1 LEU A 120 -2.182 -2.138 -2.579 1.00 0.17 C ATOM 1926 CD2 LEU A 120 -4.358 -1.469 -3.602 1.00 0.16 C ATOM 0 H LEU A 120 -1.929 -3.637 -7.158 1.00 0.25 H new ATOM 0 HA LEU A 120 -4.269 -3.892 -5.543 1.00 0.22 H new ATOM 0 HB2 LEU A 120 -1.765 -3.310 -4.964 1.00 0.20 H new ATOM 0 HB3 LEU A 120 -2.232 -1.654 -5.295 1.00 0.20 H new ATOM 0 HG LEU A 120 -3.682 -3.495 -3.334 1.00 0.18 H new ATOM 0 HD11 LEU A 120 -2.632 -2.067 -1.589 1.00 0.17 H new ATOM 0 HD12 LEU A 120 -1.397 -2.894 -2.567 1.00 0.17 H new ATOM 0 HD13 LEU A 120 -1.753 -1.174 -2.853 1.00 0.17 H new ATOM 0 HD21 LEU A 120 -4.804 -1.406 -2.610 1.00 0.16 H new ATOM 0 HD22 LEU A 120 -3.934 -0.502 -3.871 1.00 0.16 H new ATOM 0 HD23 LEU A 120 -5.124 -1.744 -4.327 1.00 0.16 H new ATOM 1938 N LYS A 121 -3.947 -0.947 -7.037 1.00 0.21 N ATOM 1939 CA LYS A 121 -4.753 0.218 -7.495 1.00 0.21 C ATOM 1940 C LYS A 121 -5.939 -0.277 -8.325 1.00 0.24 C ATOM 1941 O LYS A 121 -7.062 0.144 -8.134 1.00 0.21 O ATOM 1942 CB LYS A 121 -3.879 1.137 -8.353 1.00 0.22 C ATOM 1943 CG LYS A 121 -4.684 2.373 -8.760 1.00 0.25 C ATOM 1944 CD LYS A 121 -3.757 3.390 -9.429 1.00 0.59 C ATOM 1945 CE LYS A 121 -3.110 2.757 -10.663 1.00 0.84 C ATOM 1946 NZ LYS A 121 -1.875 2.028 -10.256 1.00 2.49 N ATOM 0 H LYS A 121 -2.945 -0.880 -7.216 1.00 0.21 H new ATOM 0 HA LYS A 121 -5.120 0.769 -6.629 1.00 0.21 H new ATOM 0 HB2 LYS A 121 -2.991 1.436 -7.796 1.00 0.22 H new ATOM 0 HB3 LYS A 121 -3.535 0.605 -9.240 1.00 0.22 H new ATOM 0 HG2 LYS A 121 -5.484 2.090 -9.444 1.00 0.25 H new ATOM 0 HG3 LYS A 121 -5.156 2.817 -7.884 1.00 0.25 H new ATOM 0 HD2 LYS A 121 -4.320 4.278 -9.716 1.00 0.59 H new ATOM 0 HD3 LYS A 121 -2.988 3.713 -8.728 1.00 0.59 H new ATOM 0 HE2 LYS A 121 -3.809 2.071 -11.142 1.00 0.84 H new ATOM 0 HE3 LYS A 121 -2.866 3.527 -11.395 1.00 0.84 H new ATOM 0 HZ1 LYS A 121 -1.065 2.387 -10.800 1.00 2.49 H new ATOM 0 HZ2 LYS A 121 -1.704 2.175 -9.241 1.00 2.49 H new ATOM 0 HZ3 LYS A 121 -1.994 1.012 -10.443 1.00 2.49 H new ATOM 1960 N THR A 122 -5.699 -1.171 -9.245 1.00 0.29 N ATOM 1961 CA THR A 122 -6.812 -1.694 -10.084 1.00 0.31 C ATOM 1962 C THR A 122 -7.826 -2.415 -9.193 1.00 0.35 C ATOM 1963 O THR A 122 -9.020 -2.336 -9.403 1.00 0.48 O ATOM 1964 CB THR A 122 -6.256 -2.674 -11.120 1.00 0.38 C ATOM 1965 OG1 THR A 122 -5.248 -2.028 -11.886 1.00 0.44 O ATOM 1966 CG2 THR A 122 -7.382 -3.139 -12.043 1.00 0.29 C ATOM 0 H THR A 122 -4.780 -1.561 -9.451 1.00 0.29 H new ATOM 0 HA THR A 122 -7.301 -0.865 -10.596 1.00 0.31 H new ATOM 0 HB THR A 122 -5.829 -3.538 -10.611 1.00 0.38 H new ATOM 0 HG1 THR A 122 -4.416 -1.995 -11.370 1.00 0.44 H new ATOM 0 HG21 THR A 122 -6.984 -3.837 -12.780 1.00 0.29 H new ATOM 0 HG22 THR A 122 -8.154 -3.634 -11.454 1.00 0.29 H new ATOM 0 HG23 THR A 122 -7.812 -2.278 -12.554 1.00 0.29 H new ATOM 1974 N ILE A 123 -7.359 -3.118 -8.197 1.00 0.38 N ATOM 1975 CA ILE A 123 -8.295 -3.844 -7.293 1.00 0.40 C ATOM 1976 C ILE A 123 -9.123 -2.831 -6.499 1.00 0.39 C ATOM 1977 O ILE A 123 -10.261 -3.080 -6.153 1.00 0.53 O ATOM 1978 CB ILE A 123 -7.496 -4.719 -6.327 1.00 0.45 C ATOM 1979 CG1 ILE A 123 -7.018 -5.977 -7.057 1.00 0.46 C ATOM 1980 CG2 ILE A 123 -8.384 -5.122 -5.149 1.00 0.48 C ATOM 1981 CD1 ILE A 123 -5.857 -6.605 -6.284 1.00 0.59 C ATOM 0 H ILE A 123 -6.370 -3.221 -7.971 1.00 0.38 H new ATOM 0 HA ILE A 123 -8.959 -4.473 -7.886 1.00 0.40 H new ATOM 0 HB ILE A 123 -6.635 -4.161 -5.959 1.00 0.45 H new ATOM 0 HG12 ILE A 123 -7.837 -6.691 -7.148 1.00 0.46 H new ATOM 0 HG13 ILE A 123 -6.701 -5.725 -8.069 1.00 0.46 H new ATOM 0 HG21 ILE A 123 -7.814 -5.746 -4.460 1.00 0.48 H new ATOM 0 HG22 ILE A 123 -8.727 -4.227 -4.629 1.00 0.48 H new ATOM 0 HG23 ILE A 123 -9.245 -5.680 -5.517 1.00 0.48 H new ATOM 0 HD11 ILE A 123 -5.516 -7.501 -6.803 1.00 0.59 H new ATOM 0 HD12 ILE A 123 -5.036 -5.891 -6.216 1.00 0.59 H new ATOM 0 HD13 ILE A 123 -6.190 -6.872 -5.281 1.00 0.59 H new ATOM 1993 N MET A 124 -8.561 -1.690 -6.206 1.00 0.37 N ATOM 1994 CA MET A 124 -9.318 -0.664 -5.434 1.00 0.33 C ATOM 1995 C MET A 124 -10.501 -0.168 -6.269 1.00 0.26 C ATOM 1996 O MET A 124 -11.642 -0.270 -5.865 1.00 0.28 O ATOM 1997 CB MET A 124 -8.395 0.512 -5.109 1.00 0.32 C ATOM 1998 CG MET A 124 -7.608 0.206 -3.833 1.00 0.32 C ATOM 1999 SD MET A 124 -8.605 0.643 -2.388 1.00 0.30 S ATOM 2000 CE MET A 124 -7.275 0.572 -1.164 1.00 0.57 C ATOM 0 H MET A 124 -7.612 -1.424 -6.467 1.00 0.37 H new ATOM 0 HA MET A 124 -9.686 -1.104 -4.507 1.00 0.33 H new ATOM 0 HB2 MET A 124 -7.710 0.690 -5.938 1.00 0.32 H new ATOM 0 HB3 MET A 124 -8.980 1.422 -4.978 1.00 0.32 H new ATOM 0 HG2 MET A 124 -7.345 -0.851 -3.800 1.00 0.32 H new ATOM 0 HG3 MET A 124 -6.674 0.767 -3.826 1.00 0.32 H new ATOM 0 HE1 MET A 124 -7.663 0.865 -0.188 1.00 0.57 H new ATOM 0 HE2 MET A 124 -6.885 -0.444 -1.109 1.00 0.57 H new ATOM 0 HE3 MET A 124 -6.475 1.253 -1.456 1.00 0.57 H new ATOM 2010 N ARG A 125 -10.238 0.366 -7.430 1.00 0.21 N ATOM 2011 CA ARG A 125 -11.350 0.867 -8.287 1.00 0.16 C ATOM 2012 C ARG A 125 -12.357 -0.260 -8.523 1.00 0.18 C ATOM 2013 O ARG A 125 -13.534 -0.025 -8.713 1.00 0.24 O ATOM 2014 CB ARG A 125 -10.788 1.337 -9.631 1.00 0.21 C ATOM 2015 CG ARG A 125 -10.002 2.636 -9.432 1.00 0.72 C ATOM 2016 CD ARG A 125 -8.617 2.494 -10.064 1.00 1.50 C ATOM 2017 NE ARG A 125 -8.762 2.252 -11.527 1.00 2.14 N ATOM 2018 CZ ARG A 125 -7.732 2.397 -12.316 1.00 3.09 C ATOM 2019 NH1 ARG A 125 -6.577 2.753 -11.824 1.00 3.33 N ATOM 2020 NH2 ARG A 125 -7.858 2.185 -13.598 1.00 3.93 N ATOM 0 H ARG A 125 -9.303 0.477 -7.822 1.00 0.21 H new ATOM 0 HA ARG A 125 -11.845 1.701 -7.789 1.00 0.16 H new ATOM 0 HB2 ARG A 125 -10.140 0.569 -10.054 1.00 0.21 H new ATOM 0 HB3 ARG A 125 -11.600 1.496 -10.341 1.00 0.21 H new ATOM 0 HG2 ARG A 125 -10.537 3.471 -9.885 1.00 0.72 H new ATOM 0 HG3 ARG A 125 -9.908 2.858 -8.369 1.00 0.72 H new ATOM 0 HD2 ARG A 125 -8.032 3.397 -9.890 1.00 1.50 H new ATOM 0 HD3 ARG A 125 -8.076 1.669 -9.600 1.00 1.50 H new ATOM 0 HE ARG A 125 -9.665 1.973 -11.912 1.00 2.14 H new ATOM 0 HH11 ARG A 125 -6.478 2.918 -10.822 1.00 3.33 H new ATOM 0 HH12 ARG A 125 -5.773 2.866 -12.441 1.00 3.33 H new ATOM 0 HH21 ARG A 125 -8.761 1.906 -13.983 1.00 3.93 H new ATOM 0 HH22 ARG A 125 -7.054 2.298 -14.215 1.00 3.93 H new ATOM 2034 N GLU A 126 -11.905 -1.484 -8.511 1.00 0.28 N ATOM 2035 CA GLU A 126 -12.838 -2.625 -8.735 1.00 0.34 C ATOM 2036 C GLU A 126 -13.687 -2.842 -7.480 1.00 0.48 C ATOM 2037 O GLU A 126 -14.887 -3.019 -7.555 1.00 0.60 O ATOM 2038 CB GLU A 126 -12.031 -3.892 -9.030 1.00 0.51 C ATOM 2039 CG GLU A 126 -12.726 -4.695 -10.131 1.00 0.67 C ATOM 2040 CD GLU A 126 -14.153 -5.032 -9.695 1.00 1.43 C ATOM 2041 OE1 GLU A 126 -14.325 -6.030 -9.015 1.00 1.74 O ATOM 2042 OE2 GLU A 126 -15.051 -4.284 -10.047 1.00 2.85 O ATOM 0 H GLU A 126 -10.931 -1.743 -8.356 1.00 0.28 H new ATOM 0 HA GLU A 126 -13.489 -2.403 -9.581 1.00 0.34 H new ATOM 0 HB2 GLU A 126 -11.020 -3.628 -9.341 1.00 0.51 H new ATOM 0 HB3 GLU A 126 -11.939 -4.496 -8.127 1.00 0.51 H new ATOM 0 HG2 GLU A 126 -12.744 -4.122 -11.058 1.00 0.67 H new ATOM 0 HG3 GLU A 126 -12.171 -5.611 -10.333 1.00 0.67 H new ATOM 2049 N LYS A 127 -13.074 -2.828 -6.328 1.00 0.57 N ATOM 2050 CA LYS A 127 -13.848 -3.033 -5.071 1.00 0.73 C ATOM 2051 C LYS A 127 -14.330 -1.680 -4.543 1.00 0.82 C ATOM 2052 O LYS A 127 -15.021 -1.603 -3.547 1.00 1.09 O ATOM 2053 CB LYS A 127 -12.953 -3.700 -4.024 1.00 0.93 C ATOM 2054 CG LYS A 127 -12.494 -5.065 -4.540 1.00 0.82 C ATOM 2055 CD LYS A 127 -12.052 -5.935 -3.362 1.00 1.03 C ATOM 2056 CE LYS A 127 -11.060 -5.157 -2.497 1.00 1.61 C ATOM 2057 NZ LYS A 127 -10.314 -6.106 -1.622 1.00 2.35 N ATOM 0 H LYS A 127 -12.072 -2.684 -6.203 1.00 0.57 H new ATOM 0 HA LYS A 127 -14.708 -3.671 -5.273 1.00 0.73 H new ATOM 0 HB2 LYS A 127 -12.089 -3.070 -3.814 1.00 0.93 H new ATOM 0 HB3 LYS A 127 -13.497 -3.818 -3.087 1.00 0.93 H new ATOM 0 HG2 LYS A 127 -13.305 -5.552 -5.081 1.00 0.82 H new ATOM 0 HG3 LYS A 127 -11.671 -4.941 -5.243 1.00 0.82 H new ATOM 0 HD2 LYS A 127 -12.917 -6.228 -2.768 1.00 1.03 H new ATOM 0 HD3 LYS A 127 -11.591 -6.853 -3.727 1.00 1.03 H new ATOM 0 HE2 LYS A 127 -10.365 -4.605 -3.129 1.00 1.61 H new ATOM 0 HE3 LYS A 127 -11.589 -4.423 -1.889 1.00 1.61 H new ATOM 0 HZ1 LYS A 127 -10.108 -5.649 -0.711 1.00 2.35 H new ATOM 0 HZ2 LYS A 127 -10.891 -6.956 -1.460 1.00 2.35 H new ATOM 0 HZ3 LYS A 127 -9.422 -6.376 -2.084 1.00 2.35 H new ATOM 2071 N TYR A 128 -13.970 -0.613 -5.202 1.00 0.63 N ATOM 2072 CA TYR A 128 -14.407 0.733 -4.736 1.00 0.78 C ATOM 2073 C TYR A 128 -15.924 0.861 -4.898 1.00 1.01 C ATOM 2074 O TYR A 128 -16.522 1.833 -4.483 1.00 1.39 O ATOM 2075 CB TYR A 128 -13.713 1.812 -5.570 1.00 0.48 C ATOM 2076 CG TYR A 128 -14.283 3.165 -5.218 1.00 0.41 C ATOM 2077 CD1 TYR A 128 -13.954 3.768 -3.999 1.00 0.34 C ATOM 2078 CD2 TYR A 128 -15.141 3.817 -6.113 1.00 0.48 C ATOM 2079 CE1 TYR A 128 -14.482 5.023 -3.673 1.00 0.34 C ATOM 2080 CE2 TYR A 128 -15.669 5.072 -5.787 1.00 0.54 C ATOM 2081 CZ TYR A 128 -15.340 5.675 -4.566 1.00 0.48 C ATOM 2082 OH TYR A 128 -15.861 6.912 -4.245 1.00 0.59 O ATOM 0 H TYR A 128 -13.392 -0.615 -6.043 1.00 0.63 H new ATOM 0 HA TYR A 128 -14.141 0.858 -3.686 1.00 0.78 H new ATOM 0 HB2 TYR A 128 -12.639 1.798 -5.382 1.00 0.48 H new ATOM 0 HB3 TYR A 128 -13.853 1.612 -6.632 1.00 0.48 H new ATOM 0 HD1 TYR A 128 -13.292 3.265 -3.309 1.00 0.34 H new ATOM 0 HD2 TYR A 128 -15.395 3.352 -7.054 1.00 0.48 H new ATOM 0 HE1 TYR A 128 -14.227 5.488 -2.732 1.00 0.34 H new ATOM 0 HE2 TYR A 128 -16.330 5.575 -6.477 1.00 0.54 H new ATOM 0 HH TYR A 128 -16.436 7.224 -4.975 1.00 0.59 H new