USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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: B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 24 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.0021) USER MOD Set 2.1: B 12 HIS : no HE2:sc= -4.83! C(o=-3.7!,f=-7.3!) USER MOD Set 2.2: B 16 HIS : no HE2:sc= 0.0105 X(o=-3.7,f=-4.1) USER MOD Set 2.3: B 40 CYS SG : rot -141:sc= 0.431 USER MOD Set 2.4: B 42 GLN : amide:sc= 0 X(o=-3.7,f=-3.9) USER MOD Set 2.5: B 43 CYS SG : rot 139:sc= 0.659 USER MOD Set 3.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 24 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.005) USER MOD Set 4.1: A 12 HIS : no HE2:sc= -4.82! C(o=-3.7!,f=-7.3!) USER MOD Set 4.2: A 16 HIS : no HE2:sc= 0.00791 X(o=-3.7,f=-4) USER MOD Set 4.3: A 40 CYS SG : rot -141:sc= 0.441 USER MOD Set 4.4: A 42 GLN : amide:sc= 0 X(o=-3.7,f=-3.8) USER MOD Set 4.5: A 43 CYS SG : rot 139:sc= 0.649 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 67:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00974) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 35 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.081) USER MOD Single : A 38 ASN : amide:sc= -1.58 K(o=-1.6,f=-3.5) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.566 K(o=0.57,f=-2.7!) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 SER OG : rot 62:sc= 1.22 USER MOD Single : B 25 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0045) USER MOD Single : B 30 ASN : amide:sc=0.000211 K(o=0.00021,f=-0.72) USER MOD Single : B 35 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.097) USER MOD Single : B 38 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.4) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.61 K(o=0.61,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 6 -8.863 -7.211 -11.963 1.00 0.00 N ATOM 99 CA GLU A 6 -9.414 -6.485 -13.106 1.00 0.00 C ATOM 100 C GLU A 6 -10.945 -6.504 -13.071 1.00 0.00 C ATOM 101 O GLU A 6 -11.581 -5.450 -13.070 1.00 0.00 O ATOM 102 CB GLU A 6 -8.903 -7.077 -14.425 1.00 0.00 C ATOM 103 CG GLU A 6 -7.708 -6.333 -15.001 1.00 0.00 C ATOM 104 CD GLU A 6 -8.116 -5.220 -15.947 1.00 0.00 C ATOM 105 OE1 GLU A 6 -8.953 -5.476 -16.840 1.00 0.00 O ATOM 106 OE2 GLU A 6 -7.598 -4.093 -15.798 1.00 0.00 O ATOM 0 HA GLU A 6 -9.079 -5.450 -13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.629 -8.120 -14.264 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.712 -7.069 -15.155 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.118 -5.914 -14.186 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.066 -7.038 -15.530 1.00 0.00 H new ATOM 113 N PRO A 7 -11.567 -7.704 -13.039 1.00 0.00 N ATOM 114 CA PRO A 7 -13.030 -7.836 -12.999 1.00 0.00 C ATOM 115 C PRO A 7 -13.676 -6.920 -11.961 1.00 0.00 C ATOM 116 O PRO A 7 -14.744 -6.357 -12.196 1.00 0.00 O ATOM 117 CB PRO A 7 -13.236 -9.299 -12.608 1.00 0.00 C ATOM 118 CG PRO A 7 -12.041 -10.001 -13.147 1.00 0.00 C ATOM 119 CD PRO A 7 -10.901 -9.026 -13.037 1.00 0.00 C ATOM 0 HA PRO A 7 -13.488 -7.556 -13.948 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.310 -9.414 -11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.156 -9.698 -13.034 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.834 -10.909 -12.581 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.199 -10.301 -14.183 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.326 -9.183 -12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.207 -9.126 -13.872 1.00 0.00 H new ATOM 127 N ALA A 8 -13.021 -6.781 -10.812 1.00 0.00 N ATOM 128 CA ALA A 8 -13.531 -5.938 -9.738 1.00 0.00 C ATOM 129 C ALA A 8 -13.514 -4.466 -10.134 1.00 0.00 C ATOM 130 O ALA A 8 -14.368 -3.688 -9.704 1.00 0.00 O ATOM 131 CB ALA A 8 -12.726 -6.157 -8.466 1.00 0.00 C ATOM 0 H ALA A 8 -12.136 -7.242 -10.602 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.567 -6.221 -9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.119 -5.521 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.801 -7.202 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.681 -5.906 -8.649 1.00 0.00 H new ATOM 137 N GLN A 9 -12.540 -4.086 -10.954 1.00 0.00 N ATOM 138 CA GLN A 9 -12.419 -2.706 -11.405 1.00 0.00 C ATOM 139 C GLN A 9 -13.553 -2.350 -12.363 1.00 0.00 C ATOM 140 O GLN A 9 -14.085 -1.242 -12.328 1.00 0.00 O ATOM 141 CB GLN A 9 -11.065 -2.483 -12.084 1.00 0.00 C ATOM 142 CG GLN A 9 -10.004 -1.920 -11.154 1.00 0.00 C ATOM 143 CD GLN A 9 -8.596 -2.229 -11.623 1.00 0.00 C ATOM 144 OE1 GLN A 9 -8.068 -1.567 -12.516 1.00 0.00 O ATOM 145 NE2 GLN A 9 -7.980 -3.241 -11.021 1.00 0.00 N ATOM 0 H GLN A 9 -11.824 -4.714 -11.319 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.486 -2.055 -10.533 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.713 -3.430 -12.493 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.197 -1.802 -12.925 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.129 -0.840 -11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.148 -2.329 -10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.456 -3.763 -10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.031 -3.496 -11.295 1.00 0.00 H new ATOM 154 N GLU A 10 -13.917 -3.303 -13.218 1.00 0.00 N ATOM 155 CA GLU A 10 -14.988 -3.092 -14.182 1.00 0.00 C ATOM 156 C GLU A 10 -16.339 -2.986 -13.479 1.00 0.00 C ATOM 157 O GLU A 10 -17.242 -2.294 -13.948 1.00 0.00 O ATOM 158 CB GLU A 10 -15.018 -4.234 -15.199 1.00 0.00 C ATOM 159 CG GLU A 10 -15.909 -3.958 -16.400 1.00 0.00 C ATOM 160 CD GLU A 10 -16.013 -5.146 -17.336 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.113 -5.312 -18.186 1.00 0.00 O ATOM 162 OE2 GLU A 10 -16.993 -5.911 -17.217 1.00 0.00 O ATOM 0 H GLU A 10 -13.486 -4.226 -13.261 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.795 -2.155 -14.704 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.003 -4.426 -15.547 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.362 -5.142 -14.703 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.906 -3.686 -16.053 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.517 -3.101 -16.949 1.00 0.00 H new ATOM 169 N GLU A 11 -16.467 -3.678 -12.350 1.00 0.00 N ATOM 170 CA GLU A 11 -17.706 -3.663 -11.580 1.00 0.00 C ATOM 171 C GLU A 11 -17.986 -2.274 -11.023 1.00 0.00 C ATOM 172 O GLU A 11 -19.108 -1.778 -11.115 1.00 0.00 O ATOM 173 CB GLU A 11 -17.635 -4.683 -10.441 1.00 0.00 C ATOM 174 CG GLU A 11 -18.899 -4.743 -9.598 1.00 0.00 C ATOM 175 CD GLU A 11 -20.134 -5.054 -10.419 1.00 0.00 C ATOM 176 OE1 GLU A 11 -19.999 -5.736 -11.457 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.236 -4.616 -10.027 1.00 0.00 O ATOM 0 H GLU A 11 -15.728 -4.256 -11.949 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.523 -3.934 -12.249 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.441 -5.670 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.790 -4.438 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.780 -5.503 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.037 -3.789 -9.088 1.00 0.00 H new ATOM 184 N HIS A 12 -16.965 -1.643 -10.449 1.00 0.00 N ATOM 185 CA HIS A 12 -17.139 -0.311 -9.891 1.00 0.00 C ATOM 186 C HIS A 12 -17.493 0.690 -10.990 1.00 0.00 C ATOM 187 O HIS A 12 -18.307 1.586 -10.789 1.00 0.00 O ATOM 188 CB HIS A 12 -15.880 0.160 -9.145 1.00 0.00 C ATOM 189 CG HIS A 12 -16.070 1.508 -8.528 1.00 0.00 C ATOM 190 ND1 HIS A 12 -16.151 1.738 -7.172 1.00 0.00 N ATOM 191 CD2 HIS A 12 -16.325 2.692 -9.129 1.00 0.00 C ATOM 192 CE1 HIS A 12 -16.466 3.029 -6.996 1.00 0.00 C ATOM 193 NE2 HIS A 12 -16.584 3.649 -8.154 1.00 0.00 N ATOM 0 H HIS A 12 -16.024 -2.027 -10.360 1.00 0.00 H new ATOM 0 HA HIS A 12 -17.959 -0.364 -9.175 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.626 -0.562 -8.369 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.039 0.193 -9.837 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -15.999 1.050 -6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.327 2.866 -10.195 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.605 3.499 -6.034 1.00 0.00 H new ATOM 201 N GLU A 13 -16.866 0.541 -12.145 1.00 0.00 N ATOM 202 CA GLU A 13 -17.107 1.441 -13.266 1.00 0.00 C ATOM 203 C GLU A 13 -18.538 1.325 -13.804 1.00 0.00 C ATOM 204 O GLU A 13 -18.960 2.150 -14.614 1.00 0.00 O ATOM 205 CB GLU A 13 -16.110 1.154 -14.389 1.00 0.00 C ATOM 206 CG GLU A 13 -14.668 1.456 -14.017 1.00 0.00 C ATOM 207 CD GLU A 13 -14.346 2.935 -14.079 1.00 0.00 C ATOM 208 OE1 GLU A 13 -15.094 3.731 -13.473 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.348 3.300 -14.736 1.00 0.00 O ATOM 0 H GLU A 13 -16.185 -0.195 -12.333 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.973 2.459 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.190 0.105 -14.675 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.382 1.745 -15.264 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.472 1.088 -13.010 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.003 0.915 -14.690 1.00 0.00 H new ATOM 216 N LYS A 14 -19.279 0.299 -13.380 1.00 0.00 N ATOM 217 CA LYS A 14 -20.645 0.105 -13.864 1.00 0.00 C ATOM 218 C LYS A 14 -21.703 0.478 -12.820 1.00 0.00 C ATOM 219 O LYS A 14 -22.847 0.762 -13.176 1.00 0.00 O ATOM 220 CB LYS A 14 -20.840 -1.347 -14.299 1.00 0.00 C ATOM 221 CG LYS A 14 -21.887 -1.520 -15.388 1.00 0.00 C ATOM 222 CD LYS A 14 -22.092 -2.987 -15.733 1.00 0.00 C ATOM 223 CE LYS A 14 -20.965 -3.519 -16.603 1.00 0.00 C ATOM 224 NZ LYS A 14 -21.362 -3.602 -18.036 1.00 0.00 N ATOM 0 H LYS A 14 -18.960 -0.402 -12.711 1.00 0.00 H new ATOM 0 HA LYS A 14 -20.781 0.775 -14.713 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -19.889 -1.742 -14.655 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.128 -1.942 -13.432 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -22.831 -1.087 -15.059 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -21.580 -0.974 -16.280 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.152 -3.572 -14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.043 -3.110 -16.252 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -20.094 -2.872 -16.505 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -20.669 -4.507 -16.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.566 -3.969 -18.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.178 -4.240 -18.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.620 -2.655 -18.380 1.00 0.00 H new ATOM 238 N TYR A 15 -21.340 0.464 -11.539 1.00 0.00 N ATOM 239 CA TYR A 15 -22.300 0.791 -10.484 1.00 0.00 C ATOM 240 C TYR A 15 -21.653 1.517 -9.301 1.00 0.00 C ATOM 241 O TYR A 15 -22.229 1.568 -8.213 1.00 0.00 O ATOM 242 CB TYR A 15 -22.968 -0.491 -9.986 1.00 0.00 C ATOM 243 CG TYR A 15 -23.500 -1.376 -11.093 1.00 0.00 C ATOM 244 CD1 TYR A 15 -24.761 -1.157 -11.632 1.00 0.00 C ATOM 245 CD2 TYR A 15 -22.745 -2.432 -11.594 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.256 -1.963 -12.641 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.233 -3.242 -12.600 1.00 0.00 C ATOM 248 CZ TYR A 15 -24.489 -3.004 -13.119 1.00 0.00 C ATOM 249 OH TYR A 15 -24.980 -3.808 -14.123 1.00 0.00 O ATOM 0 H TYR A 15 -20.403 0.234 -11.208 1.00 0.00 H new ATOM 0 HA TYR A 15 -23.037 1.467 -10.918 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.249 -1.058 -9.395 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -23.789 -0.226 -9.320 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.365 -0.344 -11.257 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -21.762 -2.621 -11.190 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.237 -1.778 -13.052 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -22.635 -4.058 -12.979 1.00 0.00 H new ATOM 0 HH TYR A 15 -24.317 -4.494 -14.347 1.00 0.00 H new ATOM 259 N HIS A 16 -20.452 2.065 -9.507 1.00 0.00 N ATOM 260 CA HIS A 16 -19.711 2.777 -8.455 1.00 0.00 C ATOM 261 C HIS A 16 -19.786 2.050 -7.111 1.00 0.00 C ATOM 262 O HIS A 16 -19.946 2.670 -6.059 1.00 0.00 O ATOM 263 CB HIS A 16 -20.202 4.219 -8.308 1.00 0.00 C ATOM 264 CG HIS A 16 -19.885 5.085 -9.493 1.00 0.00 C ATOM 265 ND1 HIS A 16 -18.650 5.685 -9.659 1.00 0.00 N ATOM 266 CD2 HIS A 16 -20.677 5.424 -10.541 1.00 0.00 C ATOM 267 CE1 HIS A 16 -18.725 6.363 -10.789 1.00 0.00 C ATOM 268 NE2 HIS A 16 -19.933 6.237 -11.359 1.00 0.00 N ATOM 0 H HIS A 16 -19.965 2.029 -10.403 1.00 0.00 H new ATOM 0 HA HIS A 16 -18.666 2.797 -8.765 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.281 4.213 -8.151 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -19.753 4.658 -7.417 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -17.846 5.617 -9.036 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -21.699 5.113 -10.701 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.916 6.946 -11.203 1.00 0.00 H new ATOM 276 N SER A 17 -19.672 0.727 -7.165 1.00 0.00 N ATOM 277 CA SER A 17 -19.727 -0.106 -5.969 1.00 0.00 C ATOM 278 C SER A 17 -18.625 0.267 -4.979 1.00 0.00 C ATOM 279 O SER A 17 -17.470 0.448 -5.362 1.00 0.00 O ATOM 280 CB SER A 17 -19.606 -1.581 -6.362 1.00 0.00 C ATOM 281 OG SER A 17 -20.758 -2.020 -7.062 1.00 0.00 O ATOM 0 H SER A 17 -19.540 0.205 -8.032 1.00 0.00 H new ATOM 0 HA SER A 17 -20.686 0.063 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.723 -1.723 -6.984 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.467 -2.188 -5.468 1.00 0.00 H new ATOM 0 HG SER A 17 -20.654 -2.964 -7.303 1.00 0.00 H new ATOM 287 N ASN A 18 -18.992 0.377 -3.705 1.00 0.00 N ATOM 288 CA ASN A 18 -18.033 0.728 -2.661 1.00 0.00 C ATOM 289 C ASN A 18 -17.089 -0.434 -2.367 1.00 0.00 C ATOM 290 O ASN A 18 -17.243 -1.525 -2.914 1.00 0.00 O ATOM 291 CB ASN A 18 -18.769 1.141 -1.384 1.00 0.00 C ATOM 292 CG ASN A 18 -19.633 2.370 -1.587 1.00 0.00 C ATOM 293 OD1 ASN A 18 -19.134 3.495 -1.638 1.00 0.00 O ATOM 294 ND2 ASN A 18 -20.941 2.164 -1.704 1.00 0.00 N ATOM 0 H ASN A 18 -19.944 0.229 -3.371 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.438 1.568 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.392 0.314 -1.044 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.042 1.337 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -21.571 2.954 -1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -21.314 1.216 -1.656 1.00 0.00 H new ATOM 301 N VAL A 19 -16.109 -0.191 -1.499 1.00 0.00 N ATOM 302 CA VAL A 19 -15.132 -1.214 -1.132 1.00 0.00 C ATOM 303 C VAL A 19 -15.815 -2.468 -0.594 1.00 0.00 C ATOM 304 O VAL A 19 -15.546 -3.577 -1.056 1.00 0.00 O ATOM 305 CB VAL A 19 -14.139 -0.690 -0.075 1.00 0.00 C ATOM 306 CG1 VAL A 19 -13.038 -1.710 0.187 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.545 0.637 -0.518 1.00 0.00 C ATOM 0 H VAL A 19 -15.970 0.707 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.586 -1.466 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.682 -0.532 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.350 -1.318 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.480 -2.637 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.495 -1.905 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.846 0.994 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.019 0.503 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.343 1.368 -0.648 1.00 0.00 H new ATOM 317 N LYS A 20 -16.700 -2.289 0.383 1.00 0.00 N ATOM 318 CA LYS A 20 -17.422 -3.413 0.982 1.00 0.00 C ATOM 319 C LYS A 20 -18.128 -4.244 -0.089 1.00 0.00 C ATOM 320 O LYS A 20 -18.298 -5.454 0.064 1.00 0.00 O ATOM 321 CB LYS A 20 -18.440 -2.911 2.007 1.00 0.00 C ATOM 322 CG LYS A 20 -18.577 -3.815 3.221 1.00 0.00 C ATOM 323 CD LYS A 20 -19.106 -5.187 2.839 1.00 0.00 C ATOM 324 CE LYS A 20 -19.990 -5.768 3.931 1.00 0.00 C ATOM 325 NZ LYS A 20 -19.939 -7.258 3.964 1.00 0.00 N ATOM 0 H LYS A 20 -16.936 -1.379 0.778 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.693 -4.047 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.149 -1.914 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.412 -2.815 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.608 -3.921 3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.249 -3.354 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.673 -5.114 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.270 -5.860 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.677 -5.374 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.019 -5.445 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.556 -7.610 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.263 -7.637 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.962 -7.568 4.141 1.00 0.00 H new ATOM 339 N GLU A 21 -18.520 -3.589 -1.174 1.00 0.00 N ATOM 340 CA GLU A 21 -19.192 -4.264 -2.276 1.00 0.00 C ATOM 341 C GLU A 21 -18.198 -5.113 -3.063 1.00 0.00 C ATOM 342 O GLU A 21 -18.404 -6.311 -3.252 1.00 0.00 O ATOM 343 CB GLU A 21 -19.841 -3.241 -3.206 1.00 0.00 C ATOM 344 CG GLU A 21 -20.864 -2.352 -2.520 1.00 0.00 C ATOM 345 CD GLU A 21 -22.225 -3.009 -2.405 1.00 0.00 C ATOM 346 OE1 GLU A 21 -22.809 -3.350 -3.456 1.00 0.00 O ATOM 347 OE2 GLU A 21 -22.708 -3.182 -1.268 1.00 0.00 O ATOM 0 H GLU A 21 -18.384 -2.588 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.965 -4.912 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -19.063 -2.614 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -20.324 -3.767 -4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.505 -2.093 -1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.961 -1.420 -3.076 1.00 0.00 H new ATOM 354 N LEU A 22 -17.122 -4.479 -3.515 1.00 0.00 N ATOM 355 CA LEU A 22 -16.089 -5.170 -4.277 1.00 0.00 C ATOM 356 C LEU A 22 -15.407 -6.232 -3.418 1.00 0.00 C ATOM 357 O LEU A 22 -15.007 -7.285 -3.916 1.00 0.00 O ATOM 358 CB LEU A 22 -15.045 -4.171 -4.788 1.00 0.00 C ATOM 359 CG LEU A 22 -15.483 -3.283 -5.960 1.00 0.00 C ATOM 360 CD1 LEU A 22 -16.149 -4.106 -7.054 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.414 -2.180 -5.479 1.00 0.00 C ATOM 0 H LEU A 22 -16.942 -3.486 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.564 -5.657 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.751 -3.527 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.157 -4.726 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.590 -2.822 -6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.449 -3.450 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.447 -4.852 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.029 -4.606 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.713 -1.562 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.299 -2.624 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.898 -1.563 -4.743 1.00 0.00 H new ATOM 373 N SER A 23 -15.275 -5.942 -2.130 1.00 0.00 N ATOM 374 CA SER A 23 -14.637 -6.864 -1.197 1.00 0.00 C ATOM 375 C SER A 23 -15.556 -8.031 -0.851 1.00 0.00 C ATOM 376 O SER A 23 -15.106 -9.166 -0.711 1.00 0.00 O ATOM 377 CB SER A 23 -14.234 -6.125 0.082 1.00 0.00 C ATOM 378 OG SER A 23 -13.912 -7.036 1.118 1.00 0.00 O ATOM 0 H SER A 23 -15.602 -5.074 -1.706 1.00 0.00 H new ATOM 0 HA SER A 23 -13.747 -7.265 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.377 -5.482 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.050 -5.477 0.404 1.00 0.00 H new ATOM 0 HG SER A 23 -13.095 -7.524 0.883 1.00 0.00 H new ATOM 384 N HIS A 24 -16.847 -7.744 -0.711 1.00 0.00 N ATOM 385 CA HIS A 24 -17.823 -8.774 -0.374 1.00 0.00 C ATOM 386 C HIS A 24 -18.215 -9.586 -1.604 1.00 0.00 C ATOM 387 O HIS A 24 -18.519 -10.774 -1.504 1.00 0.00 O ATOM 388 CB HIS A 24 -19.070 -8.143 0.248 1.00 0.00 C ATOM 389 CG HIS A 24 -20.019 -9.147 0.821 1.00 0.00 C ATOM 390 ND1 HIS A 24 -21.336 -8.836 1.059 1.00 0.00 N ATOM 391 CD2 HIS A 24 -19.796 -10.433 1.182 1.00 0.00 C ATOM 392 CE1 HIS A 24 -21.882 -9.931 1.557 1.00 0.00 C ATOM 393 NE2 HIS A 24 -20.988 -10.926 1.650 1.00 0.00 N ATOM 0 H HIS A 24 -17.240 -6.810 -0.825 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.361 -9.446 0.349 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.765 -7.452 1.034 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.588 -7.555 -0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -18.860 -10.968 1.115 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -22.918 -10.014 1.852 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -21.161 -11.868 2.001 1.00 0.00 H new ATOM 401 N LYS A 25 -18.211 -8.937 -2.765 1.00 0.00 N ATOM 402 CA LYS A 25 -18.575 -9.600 -4.011 1.00 0.00 C ATOM 403 C LYS A 25 -17.429 -10.460 -4.539 1.00 0.00 C ATOM 404 O LYS A 25 -17.603 -11.652 -4.792 1.00 0.00 O ATOM 405 CB LYS A 25 -18.976 -8.564 -5.064 1.00 0.00 C ATOM 406 CG LYS A 25 -19.633 -9.170 -6.295 1.00 0.00 C ATOM 407 CD LYS A 25 -18.649 -9.302 -7.447 1.00 0.00 C ATOM 408 CE LYS A 25 -19.022 -10.451 -8.371 1.00 0.00 C ATOM 409 NZ LYS A 25 -20.339 -10.232 -9.031 1.00 0.00 N ATOM 0 H LYS A 25 -17.960 -7.954 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.423 -10.253 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.661 -7.846 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.090 -8.009 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.037 -10.151 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.473 -8.548 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.624 -8.371 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.645 -9.462 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.251 -10.569 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.052 -11.379 -7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.539 -11.022 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.085 -10.179 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.314 -9.342 -9.569 1.00 0.00 H new ATOM 423 N PHE A 26 -16.264 -9.847 -4.710 1.00 0.00 N ATOM 424 CA PHE A 26 -15.095 -10.560 -5.219 1.00 0.00 C ATOM 425 C PHE A 26 -14.248 -11.166 -4.095 1.00 0.00 C ATOM 426 O PHE A 26 -13.203 -11.760 -4.357 1.00 0.00 O ATOM 427 CB PHE A 26 -14.241 -9.619 -6.068 1.00 0.00 C ATOM 428 CG PHE A 26 -14.960 -9.098 -7.280 1.00 0.00 C ATOM 429 CD1 PHE A 26 -14.919 -9.792 -8.479 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.686 -7.919 -7.217 1.00 0.00 C ATOM 431 CE1 PHE A 26 -15.586 -9.319 -9.593 1.00 0.00 C ATOM 432 CE2 PHE A 26 -16.354 -7.441 -8.330 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.305 -8.144 -9.517 1.00 0.00 C ATOM 0 H PHE A 26 -16.102 -8.861 -4.505 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.458 -11.385 -5.832 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.920 -8.777 -5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.340 -10.144 -6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.359 -10.713 -8.543 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.731 -7.368 -6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.544 -9.868 -10.522 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.913 -6.519 -8.270 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.829 -7.774 -10.386 1.00 0.00 H new ATOM 443 N GLY A 27 -14.699 -11.027 -2.846 1.00 0.00 N ATOM 444 CA GLY A 27 -13.957 -11.582 -1.725 1.00 0.00 C ATOM 445 C GLY A 27 -12.525 -11.085 -1.658 1.00 0.00 C ATOM 446 O GLY A 27 -11.621 -11.830 -1.284 1.00 0.00 O ATOM 0 H GLY A 27 -15.560 -10.542 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.468 -11.327 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.955 -12.669 -1.800 1.00 0.00 H new ATOM 450 N ILE A 28 -12.318 -9.824 -2.017 1.00 0.00 N ATOM 451 CA ILE A 28 -10.985 -9.234 -1.991 1.00 0.00 C ATOM 452 C ILE A 28 -10.809 -8.334 -0.768 1.00 0.00 C ATOM 453 O ILE A 28 -11.772 -7.741 -0.286 1.00 0.00 O ATOM 454 CB ILE A 28 -10.694 -8.414 -3.265 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.875 -7.501 -3.602 1.00 0.00 C ATOM 456 CG2 ILE A 28 -10.384 -9.340 -4.431 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.600 -6.564 -4.757 1.00 0.00 C ATOM 0 H ILE A 28 -13.054 -9.191 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.278 -10.062 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.822 -7.787 -3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.743 -8.116 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.133 -6.914 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.181 -8.747 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.510 -9.946 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.238 -9.991 -4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.479 -5.946 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.752 -5.924 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.371 -7.145 -5.650 1.00 0.00 H new ATOM 469 N PRO A 29 -9.571 -8.218 -0.244 1.00 0.00 N ATOM 470 CA PRO A 29 -9.295 -7.381 0.929 1.00 0.00 C ATOM 471 C PRO A 29 -9.744 -5.939 0.724 1.00 0.00 C ATOM 472 O PRO A 29 -10.012 -5.518 -0.402 1.00 0.00 O ATOM 473 CB PRO A 29 -7.771 -7.450 1.076 1.00 0.00 C ATOM 474 CG PRO A 29 -7.377 -8.711 0.387 1.00 0.00 C ATOM 475 CD PRO A 29 -8.351 -8.884 -0.743 1.00 0.00 C ATOM 0 HA PRO A 29 -9.833 -7.729 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.290 -6.584 0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.475 -7.464 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.354 -8.650 0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.417 -9.559 1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.988 -8.423 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.529 -9.937 -0.964 1.00 0.00 H new ATOM 483 N ASN A 30 -9.828 -5.187 1.814 1.00 0.00 N ATOM 484 CA ASN A 30 -10.243 -3.792 1.748 1.00 0.00 C ATOM 485 C ASN A 30 -9.225 -2.961 0.977 1.00 0.00 C ATOM 486 O ASN A 30 -9.580 -2.002 0.292 1.00 0.00 O ATOM 487 CB ASN A 30 -10.431 -3.225 3.155 1.00 0.00 C ATOM 488 CG ASN A 30 -11.500 -3.964 3.938 1.00 0.00 C ATOM 489 OD1 ASN A 30 -11.278 -5.079 4.412 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.668 -3.347 4.074 1.00 0.00 N ATOM 0 H ASN A 30 -9.614 -5.520 2.754 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.196 -3.745 1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.486 -3.280 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.698 -2.171 3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.426 -3.797 4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.808 -2.423 3.664 1.00 0.00 H new ATOM 497 N LEU A 31 -7.955 -3.341 1.087 1.00 0.00 N ATOM 498 CA LEU A 31 -6.881 -2.637 0.394 1.00 0.00 C ATOM 499 C LEU A 31 -7.102 -2.678 -1.114 1.00 0.00 C ATOM 500 O LEU A 31 -7.153 -1.640 -1.775 1.00 0.00 O ATOM 501 CB LEU A 31 -5.528 -3.261 0.744 1.00 0.00 C ATOM 502 CG LEU A 31 -4.327 -2.683 -0.010 1.00 0.00 C ATOM 503 CD1 LEU A 31 -4.200 -1.192 0.256 1.00 0.00 C ATOM 504 CD2 LEU A 31 -3.047 -3.418 0.376 1.00 0.00 C ATOM 0 H LEU A 31 -7.645 -4.133 1.650 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.884 -1.596 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.357 -3.141 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.578 -4.332 0.548 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.488 -2.824 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.342 -0.797 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.105 -0.685 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.062 -1.023 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.205 -2.993 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.876 -3.312 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.145 -4.475 0.127 1.00 0.00 H new ATOM 516 N VAL A 32 -7.239 -3.886 -1.652 1.00 0.00 N ATOM 517 CA VAL A 32 -7.462 -4.073 -3.081 1.00 0.00 C ATOM 518 C VAL A 32 -8.708 -3.322 -3.543 1.00 0.00 C ATOM 519 O VAL A 32 -8.662 -2.560 -4.510 1.00 0.00 O ATOM 520 CB VAL A 32 -7.617 -5.565 -3.434 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.650 -5.758 -4.942 1.00 0.00 C ATOM 522 CG2 VAL A 32 -6.497 -6.380 -2.809 1.00 0.00 C ATOM 0 H VAL A 32 -7.199 -4.753 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.587 -3.674 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.564 -5.919 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.760 -6.818 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.492 -5.207 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.722 -5.387 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.623 -7.431 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.537 -6.026 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.527 -6.268 -1.725 1.00 0.00 H new ATOM 532 N ALA A 33 -9.816 -3.537 -2.841 1.00 0.00 N ATOM 533 CA ALA A 33 -11.071 -2.874 -3.176 1.00 0.00 C ATOM 534 C ALA A 33 -10.931 -1.360 -3.070 1.00 0.00 C ATOM 535 O ALA A 33 -11.493 -0.616 -3.874 1.00 0.00 O ATOM 536 CB ALA A 33 -12.189 -3.367 -2.268 1.00 0.00 C ATOM 0 H ALA A 33 -9.870 -4.164 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.322 -3.121 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.119 -2.863 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.311 -4.443 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.938 -3.148 -1.230 1.00 0.00 H new ATOM 542 N ARG A 34 -10.178 -0.910 -2.070 1.00 0.00 N ATOM 543 CA ARG A 34 -9.961 0.517 -1.860 1.00 0.00 C ATOM 544 C ARG A 34 -9.298 1.150 -3.078 1.00 0.00 C ATOM 545 O ARG A 34 -9.583 2.296 -3.426 1.00 0.00 O ATOM 546 CB ARG A 34 -9.096 0.745 -0.617 1.00 0.00 C ATOM 547 CG ARG A 34 -9.901 0.904 0.663 1.00 0.00 C ATOM 548 CD ARG A 34 -9.001 0.933 1.887 1.00 0.00 C ATOM 549 NE ARG A 34 -9.762 1.078 3.126 1.00 0.00 N ATOM 550 CZ ARG A 34 -9.232 1.454 4.291 1.00 0.00 C ATOM 551 NH1 ARG A 34 -7.935 1.729 4.387 1.00 0.00 N ATOM 552 NH2 ARG A 34 -10.002 1.555 5.364 1.00 0.00 N ATOM 0 H ARG A 34 -9.709 -1.512 -1.394 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.932 0.990 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.410 -0.094 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.487 1.637 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.483 1.824 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.611 0.082 0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.415 0.015 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.295 1.758 1.797 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.762 0.879 3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.335 1.653 3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.539 2.016 5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.998 1.345 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.599 1.842 6.256 1.00 0.00 H new ATOM 566 N GLN A 35 -8.414 0.397 -3.723 1.00 0.00 N ATOM 567 CA GLN A 35 -7.714 0.883 -4.904 1.00 0.00 C ATOM 568 C GLN A 35 -8.697 1.203 -6.024 1.00 0.00 C ATOM 569 O GLN A 35 -8.504 2.156 -6.781 1.00 0.00 O ATOM 570 CB GLN A 35 -6.695 -0.153 -5.383 1.00 0.00 C ATOM 571 CG GLN A 35 -5.447 -0.221 -4.519 1.00 0.00 C ATOM 572 CD GLN A 35 -4.568 1.004 -4.666 1.00 0.00 C ATOM 573 OE1 GLN A 35 -4.159 1.360 -5.772 1.00 0.00 O ATOM 574 NE2 GLN A 35 -4.273 1.659 -3.549 1.00 0.00 N ATOM 0 H GLN A 35 -8.166 -0.553 -3.447 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.188 1.799 -4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.168 -1.135 -5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.406 0.081 -6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.739 -0.331 -3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.874 -1.109 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.633 1.329 -2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.686 2.492 -3.586 1.00 0.00 H new ATOM 583 N ILE A 36 -9.753 0.405 -6.122 1.00 0.00 N ATOM 584 CA ILE A 36 -10.769 0.610 -7.148 1.00 0.00 C ATOM 585 C ILE A 36 -11.538 1.899 -6.892 1.00 0.00 C ATOM 586 O ILE A 36 -11.613 2.771 -7.759 1.00 0.00 O ATOM 587 CB ILE A 36 -11.759 -0.573 -7.206 1.00 0.00 C ATOM 588 CG1 ILE A 36 -11.000 -1.897 -7.314 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.717 -0.412 -8.377 1.00 0.00 C ATOM 590 CD1 ILE A 36 -11.904 -3.111 -7.362 1.00 0.00 C ATOM 0 H ILE A 36 -9.928 -0.388 -5.505 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.253 0.679 -8.105 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.342 -0.581 -6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.381 -1.879 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.325 -1.990 -6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.407 -1.255 -8.401 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.280 0.514 -8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.151 -0.379 -9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.298 -4.013 -7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.505 -3.153 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.561 -3.041 -8.229 1.00 0.00 H new ATOM 602 N VAL A 37 -12.102 2.020 -5.694 1.00 0.00 N ATOM 603 CA VAL A 37 -12.855 3.208 -5.323 1.00 0.00 C ATOM 604 C VAL A 37 -11.940 4.427 -5.262 1.00 0.00 C ATOM 605 O VAL A 37 -12.327 5.526 -5.656 1.00 0.00 O ATOM 606 CB VAL A 37 -13.557 3.026 -3.962 1.00 0.00 C ATOM 607 CG1 VAL A 37 -14.427 4.233 -3.635 1.00 0.00 C ATOM 608 CG2 VAL A 37 -14.386 1.750 -3.957 1.00 0.00 C ATOM 0 H VAL A 37 -12.050 1.308 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.615 3.364 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.791 2.943 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.912 4.081 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.806 5.128 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.186 4.354 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.874 1.637 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.142 1.804 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.737 0.893 -4.138 1.00 0.00 H new ATOM 618 N ASN A 38 -10.724 4.223 -4.765 1.00 0.00 N ATOM 619 CA ASN A 38 -9.752 5.304 -4.656 1.00 0.00 C ATOM 620 C ASN A 38 -9.361 5.819 -6.037 1.00 0.00 C ATOM 621 O ASN A 38 -9.073 7.003 -6.210 1.00 0.00 O ATOM 622 CB ASN A 38 -8.507 4.826 -3.903 1.00 0.00 C ATOM 623 CG ASN A 38 -8.745 4.707 -2.411 1.00 0.00 C ATOM 624 OD1 ASN A 38 -9.844 4.377 -1.968 1.00 0.00 O ATOM 625 ND2 ASN A 38 -7.709 4.981 -1.626 1.00 0.00 N ATOM 0 H ASN A 38 -10.389 3.319 -4.432 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.211 6.120 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.196 3.858 -4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.687 5.521 -4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.807 4.921 -0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.815 5.251 -2.037 1.00 0.00 H new ATOM 632 N SER A 39 -9.359 4.922 -7.019 1.00 0.00 N ATOM 633 CA SER A 39 -9.007 5.286 -8.386 1.00 0.00 C ATOM 634 C SER A 39 -10.112 6.124 -9.024 1.00 0.00 C ATOM 635 O SER A 39 -9.845 6.988 -9.859 1.00 0.00 O ATOM 636 CB SER A 39 -8.756 4.031 -9.223 1.00 0.00 C ATOM 637 OG SER A 39 -8.589 4.357 -10.592 1.00 0.00 O ATOM 0 H SER A 39 -9.597 3.938 -6.893 1.00 0.00 H new ATOM 0 HA SER A 39 -8.094 5.880 -8.355 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.867 3.518 -8.857 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.592 3.341 -9.109 1.00 0.00 H new ATOM 0 HG SER A 39 -8.428 3.538 -11.106 1.00 0.00 H new ATOM 643 N CYS A 40 -11.350 5.862 -8.621 1.00 0.00 N ATOM 644 CA CYS A 40 -12.496 6.591 -9.152 1.00 0.00 C ATOM 645 C CYS A 40 -12.456 8.053 -8.718 1.00 0.00 C ATOM 646 O CYS A 40 -12.556 8.361 -7.532 1.00 0.00 O ATOM 647 CB CYS A 40 -13.801 5.942 -8.688 1.00 0.00 C ATOM 648 SG CYS A 40 -15.282 6.660 -9.433 1.00 0.00 S ATOM 0 H CYS A 40 -11.586 5.151 -7.929 1.00 0.00 H new ATOM 0 HA CYS A 40 -12.449 6.552 -10.240 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.769 4.878 -8.921 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -13.873 6.029 -7.604 1.00 0.00 H new ATOM 0 HG CYS A 40 -16.229 6.721 -8.544 1.00 0.00 H new ATOM 653 N ALA A 41 -12.309 8.950 -9.689 1.00 0.00 N ATOM 654 CA ALA A 41 -12.256 10.378 -9.409 1.00 0.00 C ATOM 655 C ALA A 41 -13.625 10.908 -8.998 1.00 0.00 C ATOM 656 O ALA A 41 -13.731 11.794 -8.149 1.00 0.00 O ATOM 657 CB ALA A 41 -11.737 11.134 -10.624 1.00 0.00 C ATOM 0 H ALA A 41 -12.225 8.711 -10.677 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.570 10.536 -8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.702 12.200 -10.401 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.735 10.782 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.401 10.962 -11.471 1.00 0.00 H new ATOM 663 N GLN A 42 -14.675 10.361 -9.603 1.00 0.00 N ATOM 664 CA GLN A 42 -16.038 10.778 -9.300 1.00 0.00 C ATOM 665 C GLN A 42 -16.410 10.427 -7.862 1.00 0.00 C ATOM 666 O GLN A 42 -17.210 11.118 -7.231 1.00 0.00 O ATOM 667 CB GLN A 42 -17.023 10.120 -10.268 1.00 0.00 C ATOM 668 CG GLN A 42 -17.161 10.857 -11.591 1.00 0.00 C ATOM 669 CD GLN A 42 -18.446 10.513 -12.318 1.00 0.00 C ATOM 670 OE1 GLN A 42 -18.749 9.341 -12.547 1.00 0.00 O ATOM 671 NE2 GLN A 42 -19.210 11.534 -12.687 1.00 0.00 N ATOM 0 H GLN A 42 -14.607 9.626 -10.307 1.00 0.00 H new ATOM 0 HA GLN A 42 -16.093 11.860 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -16.699 9.098 -10.463 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -18.002 10.059 -9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -17.127 11.931 -11.410 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -16.311 10.614 -12.229 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -18.921 12.489 -12.477 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -20.086 11.363 -13.180 1.00 0.00 H new ATOM 680 N CYS A 43 -15.822 9.352 -7.348 1.00 0.00 N ATOM 681 CA CYS A 43 -16.089 8.910 -5.985 1.00 0.00 C ATOM 682 C CYS A 43 -15.095 9.523 -4.998 1.00 0.00 C ATOM 683 O CYS A 43 -15.392 9.652 -3.811 1.00 0.00 O ATOM 684 CB CYS A 43 -16.040 7.383 -5.897 1.00 0.00 C ATOM 685 SG CYS A 43 -17.559 6.563 -6.437 1.00 0.00 S ATOM 0 H CYS A 43 -15.156 8.770 -7.856 1.00 0.00 H new ATOM 0 HA CYS A 43 -17.089 9.250 -5.717 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -15.209 7.021 -6.503 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -15.831 7.096 -4.866 1.00 0.00 H new ATOM 0 HG CYS A 43 -17.258 5.510 -7.137 1.00 0.00 H new ATOM 690 N GLN A 44 -13.915 9.899 -5.491 1.00 0.00 N ATOM 691 CA GLN A 44 -12.888 10.497 -4.643 1.00 0.00 C ATOM 692 C GLN A 44 -13.409 11.755 -3.954 1.00 0.00 C ATOM 693 O GLN A 44 -13.363 11.869 -2.729 1.00 0.00 O ATOM 694 CB GLN A 44 -11.646 10.833 -5.470 1.00 0.00 C ATOM 695 CG GLN A 44 -10.647 9.689 -5.563 1.00 0.00 C ATOM 696 CD GLN A 44 -9.370 9.965 -4.793 1.00 0.00 C ATOM 697 OE1 GLN A 44 -9.037 11.116 -4.510 1.00 0.00 O ATOM 698 NE2 GLN A 44 -8.644 8.905 -4.452 1.00 0.00 N ATOM 0 H GLN A 44 -13.649 9.800 -6.471 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.621 9.770 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.956 11.116 -6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.152 11.701 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.107 8.778 -5.181 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.404 9.508 -6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.958 7.969 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.773 9.028 -3.935 1.00 0.00 H new ATOM 845 N GLU B 6 3.313 -7.122 4.125 1.00 0.00 N ATOM 846 CA GLU B 6 3.885 -6.402 5.261 1.00 0.00 C ATOM 847 C GLU B 6 5.417 -6.444 5.215 1.00 0.00 C ATOM 848 O GLU B 6 6.067 -5.398 5.202 1.00 0.00 O ATOM 849 CB GLU B 6 3.376 -6.980 6.587 1.00 0.00 C ATOM 850 CG GLU B 6 2.199 -6.217 7.170 1.00 0.00 C ATOM 851 CD GLU B 6 2.631 -5.108 8.110 1.00 0.00 C ATOM 852 OE1 GLU B 6 3.470 -5.373 8.996 1.00 0.00 O ATOM 853 OE2 GLU B 6 2.128 -3.973 7.960 1.00 0.00 O ATOM 0 HA GLU B 6 3.565 -5.362 5.194 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.085 -8.019 6.433 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.192 -6.982 7.310 1.00 0.00 H new ATOM 0 HG2 GLU B 6 1.609 -5.791 6.358 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.551 -6.910 7.706 1.00 0.00 H new ATOM 860 N PRO B 7 6.020 -7.653 5.180 1.00 0.00 N ATOM 861 CA PRO B 7 7.481 -7.805 5.126 1.00 0.00 C ATOM 862 C PRO B 7 8.131 -6.902 4.081 1.00 0.00 C ATOM 863 O PRO B 7 9.210 -6.353 4.305 1.00 0.00 O ATOM 864 CB PRO B 7 7.661 -9.274 4.738 1.00 0.00 C ATOM 865 CG PRO B 7 6.461 -9.955 5.290 1.00 0.00 C ATOM 866 CD PRO B 7 5.335 -8.963 5.188 1.00 0.00 C ATOM 0 HA PRO B 7 7.952 -7.528 6.069 1.00 0.00 H new ATOM 0 HB2 PRO B 7 7.723 -9.394 3.656 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.579 -9.686 5.157 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.234 -10.861 4.728 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.624 -10.254 6.325 1.00 0.00 H new ATOM 0 HD2 PRO B 7 4.750 -9.114 4.281 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.648 -9.050 6.029 1.00 0.00 H new ATOM 874 N ALA B 8 7.467 -6.757 2.939 1.00 0.00 N ATOM 875 CA ALA B 8 7.982 -5.925 1.857 1.00 0.00 C ATOM 876 C ALA B 8 7.989 -4.451 2.248 1.00 0.00 C ATOM 877 O ALA B 8 8.851 -3.688 1.809 1.00 0.00 O ATOM 878 CB ALA B 8 7.162 -6.136 0.593 1.00 0.00 C ATOM 0 H ALA B 8 6.572 -7.204 2.739 1.00 0.00 H new ATOM 0 HA ALA B 8 9.012 -6.224 1.663 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.557 -5.509 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.217 -7.183 0.294 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.123 -5.868 0.784 1.00 0.00 H new ATOM 884 N GLN B 9 7.028 -4.055 3.075 1.00 0.00 N ATOM 885 CA GLN B 9 6.932 -2.670 3.523 1.00 0.00 C ATOM 886 C GLN B 9 8.077 -2.330 4.470 1.00 0.00 C ATOM 887 O GLN B 9 8.626 -1.229 4.426 1.00 0.00 O ATOM 888 CB GLN B 9 5.586 -2.426 4.212 1.00 0.00 C ATOM 889 CG GLN B 9 4.525 -1.851 3.288 1.00 0.00 C ATOM 890 CD GLN B 9 3.117 -2.137 3.771 1.00 0.00 C ATOM 891 OE1 GLN B 9 2.608 -1.466 4.668 1.00 0.00 O ATOM 892 NE2 GLN B 9 2.482 -3.143 3.179 1.00 0.00 N ATOM 0 H GLN B 9 6.306 -4.671 3.448 1.00 0.00 H new ATOM 0 HA GLN B 9 7.003 -2.022 2.650 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.224 -3.367 4.627 1.00 0.00 H new ATOM 0 HB3 GLN B 9 5.734 -1.745 5.050 1.00 0.00 H new ATOM 0 HG2 GLN B 9 4.665 -0.773 3.205 1.00 0.00 H new ATOM 0 HG3 GLN B 9 4.654 -2.267 2.289 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.943 -3.672 2.439 1.00 0.00 H new ATOM 0 HE22 GLN B 9 1.533 -3.386 3.464 1.00 0.00 H new ATOM 901 N GLU B 10 8.435 -3.284 5.323 1.00 0.00 N ATOM 902 CA GLU B 10 9.518 -3.087 6.278 1.00 0.00 C ATOM 903 C GLU B 10 10.864 -3.004 5.563 1.00 0.00 C ATOM 904 O GLU B 10 11.782 -2.324 6.024 1.00 0.00 O ATOM 905 CB GLU B 10 9.539 -4.226 7.300 1.00 0.00 C ATOM 906 CG GLU B 10 10.444 -3.959 8.492 1.00 0.00 C ATOM 907 CD GLU B 10 10.539 -5.147 9.429 1.00 0.00 C ATOM 908 OE1 GLU B 10 9.645 -5.296 10.288 1.00 0.00 O ATOM 909 OE2 GLU B 10 11.508 -5.926 9.304 1.00 0.00 O ATOM 0 H GLU B 10 7.991 -4.201 5.372 1.00 0.00 H new ATOM 0 HA GLU B 10 9.344 -2.145 6.798 1.00 0.00 H new ATOM 0 HB2 GLU B 10 8.524 -4.401 7.657 1.00 0.00 H new ATOM 0 HB3 GLU B 10 9.865 -5.141 6.805 1.00 0.00 H new ATOM 0 HG2 GLU B 10 11.441 -3.701 8.136 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.069 -3.096 9.042 1.00 0.00 H new ATOM 916 N GLU B 11 10.973 -3.701 4.435 1.00 0.00 N ATOM 917 CA GLU B 11 12.204 -3.706 3.656 1.00 0.00 C ATOM 918 C GLU B 11 12.498 -2.323 3.093 1.00 0.00 C ATOM 919 O GLU B 11 13.630 -1.844 3.172 1.00 0.00 O ATOM 920 CB GLU B 11 12.110 -4.728 2.520 1.00 0.00 C ATOM 921 CG GLU B 11 13.365 -4.810 1.667 1.00 0.00 C ATOM 922 CD GLU B 11 14.600 -5.137 2.480 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.466 -5.814 3.521 1.00 0.00 O ATOM 924 OE2 GLU B 11 15.706 -4.716 2.076 1.00 0.00 O ATOM 0 H GLU B 11 10.223 -4.269 4.042 1.00 0.00 H new ATOM 0 HA GLU B 11 13.023 -3.987 4.319 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.904 -5.711 2.944 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.264 -4.472 1.882 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.228 -5.571 0.898 1.00 0.00 H new ATOM 0 HG3 GLU B 11 13.514 -3.860 1.153 1.00 0.00 H new ATOM 931 N HIS B 12 11.485 -1.678 2.524 1.00 0.00 N ATOM 932 CA HIS B 12 11.672 -0.350 1.962 1.00 0.00 C ATOM 933 C HIS B 12 12.050 0.647 3.054 1.00 0.00 C ATOM 934 O HIS B 12 12.875 1.531 2.842 1.00 0.00 O ATOM 935 CB HIS B 12 10.414 0.137 1.225 1.00 0.00 C ATOM 936 CG HIS B 12 10.619 1.479 0.602 1.00 0.00 C ATOM 937 ND1 HIS B 12 10.690 1.704 -0.756 1.00 0.00 N ATOM 938 CD2 HIS B 12 10.895 2.662 1.196 1.00 0.00 C ATOM 939 CE1 HIS B 12 11.023 2.991 -0.940 1.00 0.00 C ATOM 940 NE2 HIS B 12 11.160 3.611 0.216 1.00 0.00 N ATOM 0 H HIS B 12 10.539 -2.049 2.441 1.00 0.00 H new ATOM 0 HA HIS B 12 12.485 -0.416 1.239 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.143 -0.584 0.454 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.579 0.185 1.924 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.520 1.016 -1.489 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.907 2.841 2.261 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.160 3.456 -1.905 1.00 0.00 H new ATOM 948 N GLU B 13 11.430 0.512 4.213 1.00 0.00 N ATOM 949 CA GLU B 13 11.695 1.411 5.330 1.00 0.00 C ATOM 950 C GLU B 13 13.129 1.276 5.857 1.00 0.00 C ATOM 951 O GLU B 13 13.570 2.099 6.660 1.00 0.00 O ATOM 952 CB GLU B 13 10.704 1.143 6.464 1.00 0.00 C ATOM 953 CG GLU B 13 9.263 1.464 6.102 1.00 0.00 C ATOM 954 CD GLU B 13 8.964 2.949 6.163 1.00 0.00 C ATOM 955 OE1 GLU B 13 9.717 3.731 5.547 1.00 0.00 O ATOM 956 OE2 GLU B 13 7.976 3.330 6.827 1.00 0.00 O ATOM 0 H GLU B 13 10.738 -0.211 4.409 1.00 0.00 H new ATOM 0 HA GLU B 13 11.573 2.429 4.961 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.772 0.095 6.754 1.00 0.00 H new ATOM 0 HB3 GLU B 13 10.992 1.734 7.334 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.054 1.096 5.098 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.595 0.934 6.781 1.00 0.00 H new ATOM 963 N LYS B 14 13.851 0.238 5.430 1.00 0.00 N ATOM 964 CA LYS B 14 15.217 0.026 5.902 1.00 0.00 C ATOM 965 C LYS B 14 16.272 0.381 4.849 1.00 0.00 C ATOM 966 O LYS B 14 17.424 0.645 5.195 1.00 0.00 O ATOM 967 CB LYS B 14 15.396 -1.428 6.341 1.00 0.00 C ATOM 968 CG LYS B 14 16.448 -1.613 7.419 1.00 0.00 C ATOM 969 CD LYS B 14 16.635 -3.082 7.768 1.00 0.00 C ATOM 970 CE LYS B 14 15.509 -3.594 8.650 1.00 0.00 C ATOM 971 NZ LYS B 14 15.915 -3.678 10.080 1.00 0.00 N ATOM 0 H LYS B 14 13.516 -0.460 4.766 1.00 0.00 H new ATOM 0 HA LYS B 14 15.369 0.697 6.748 1.00 0.00 H new ATOM 0 HB2 LYS B 14 14.442 -1.808 6.707 1.00 0.00 H new ATOM 0 HB3 LYS B 14 15.667 -2.030 5.474 1.00 0.00 H new ATOM 0 HG2 LYS B 14 17.396 -1.195 7.080 1.00 0.00 H new ATOM 0 HG3 LYS B 14 16.157 -1.060 8.312 1.00 0.00 H new ATOM 0 HD2 LYS B 14 16.678 -3.672 6.852 1.00 0.00 H new ATOM 0 HD3 LYS B 14 17.588 -3.217 8.279 1.00 0.00 H new ATOM 0 HE2 LYS B 14 14.646 -2.934 8.556 1.00 0.00 H new ATOM 0 HE3 LYS B 14 15.196 -4.579 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.118 -4.032 10.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 16.722 -4.327 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 16.189 -2.734 10.419 1.00 0.00 H new ATOM 985 N TYR B 15 15.897 0.368 3.573 1.00 0.00 N ATOM 986 CA TYR B 15 16.853 0.678 2.507 1.00 0.00 C ATOM 987 C TYR B 15 16.206 1.409 1.328 1.00 0.00 C ATOM 988 O TYR B 15 16.774 1.447 0.236 1.00 0.00 O ATOM 989 CB TYR B 15 17.499 -0.617 2.006 1.00 0.00 C ATOM 990 CG TYR B 15 18.027 -1.506 3.113 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.297 -1.305 3.641 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.260 -2.549 3.623 1.00 0.00 C ATOM 993 CE1 TYR B 15 19.787 -2.115 4.648 1.00 0.00 C ATOM 994 CE2 TYR B 15 17.746 -3.363 4.629 1.00 0.00 C ATOM 995 CZ TYR B 15 19.009 -3.141 5.136 1.00 0.00 C ATOM 996 OH TYR B 15 19.495 -3.951 6.138 1.00 0.00 O ATOM 0 H TYR B 15 14.954 0.150 3.252 1.00 0.00 H new ATOM 0 HA TYR B 15 17.604 1.344 2.932 1.00 0.00 H new ATOM 0 HB2 TYR B 15 16.767 -1.175 1.423 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.318 -0.366 1.332 1.00 0.00 H new ATOM 0 HD1 TYR B 15 19.911 -0.503 3.258 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.271 -2.725 3.227 1.00 0.00 H new ATOM 0 HE1 TYR B 15 20.775 -1.944 5.050 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.140 -4.169 5.016 1.00 0.00 H new ATOM 0 HH TYR B 15 18.822 -4.625 6.369 1.00 0.00 H new ATOM 1006 N HIS B 16 15.016 1.975 1.542 1.00 0.00 N ATOM 1007 CA HIS B 16 14.276 2.695 0.494 1.00 0.00 C ATOM 1008 C HIS B 16 14.329 1.963 -0.850 1.00 0.00 C ATOM 1009 O HIS B 16 14.491 2.577 -1.904 1.00 0.00 O ATOM 1010 CB HIS B 16 14.789 4.129 0.338 1.00 0.00 C ATOM 1011 CG HIS B 16 14.495 5.004 1.522 1.00 0.00 C ATOM 1012 ND1 HIS B 16 13.270 5.622 1.699 1.00 0.00 N ATOM 1013 CD2 HIS B 16 15.300 5.333 2.561 1.00 0.00 C ATOM 1014 CE1 HIS B 16 13.363 6.303 2.825 1.00 0.00 C ATOM 1015 NE2 HIS B 16 14.574 6.159 3.385 1.00 0.00 N ATOM 0 H HIS B 16 14.537 1.949 2.442 1.00 0.00 H new ATOM 0 HA HIS B 16 13.234 2.732 0.813 1.00 0.00 H new ATOM 0 HB2 HIS B 16 15.866 4.105 0.173 1.00 0.00 H new ATOM 0 HB3 HIS B 16 14.340 4.572 -0.551 1.00 0.00 H new ATOM 0 HD1 HIS B 16 12.459 5.563 1.083 1.00 0.00 H new ATOM 0 HD2 HIS B 16 16.319 5.008 2.713 1.00 0.00 H new ATOM 0 HE1 HIS B 16 12.566 6.900 3.243 1.00 0.00 H new ATOM 1023 N SER B 17 14.196 0.641 -0.790 1.00 0.00 N ATOM 1024 CA SER B 17 14.231 -0.197 -1.983 1.00 0.00 C ATOM 1025 C SER B 17 13.125 0.189 -2.964 1.00 0.00 C ATOM 1026 O SER B 17 11.976 0.391 -2.572 1.00 0.00 O ATOM 1027 CB SER B 17 14.090 -1.668 -1.586 1.00 0.00 C ATOM 1028 OG SER B 17 15.241 -2.120 -0.895 1.00 0.00 O ATOM 0 H SER B 17 14.062 0.125 0.079 1.00 0.00 H new ATOM 0 HA SER B 17 15.189 -0.044 -2.480 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.210 -1.796 -0.956 1.00 0.00 H new ATOM 0 HB3 SER B 17 13.935 -2.276 -2.477 1.00 0.00 H new ATOM 0 HG SER B 17 15.127 -3.062 -0.650 1.00 0.00 H new ATOM 1034 N ASN B 18 13.481 0.291 -4.241 1.00 0.00 N ATOM 1035 CA ASN B 18 12.520 0.653 -5.279 1.00 0.00 C ATOM 1036 C ASN B 18 11.556 -0.496 -5.561 1.00 0.00 C ATOM 1037 O ASN B 18 11.699 -1.588 -5.013 1.00 0.00 O ATOM 1038 CB ASN B 18 13.250 1.052 -6.563 1.00 0.00 C ATOM 1039 CG ASN B 18 14.135 2.269 -6.371 1.00 0.00 C ATOM 1040 OD1 ASN B 18 13.653 3.400 -6.322 1.00 0.00 O ATOM 1041 ND2 ASN B 18 15.439 2.042 -6.264 1.00 0.00 N ATOM 0 H ASN B 18 14.428 0.128 -4.583 1.00 0.00 H new ATOM 0 HA ASN B 18 11.941 1.504 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN B 18 13.858 0.215 -6.907 1.00 0.00 H new ATOM 0 HB3 ASN B 18 12.519 1.258 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN B 18 16.084 2.822 -6.136 1.00 0.00 H new ATOM 0 HD22 ASN B 18 15.796 1.088 -6.310 1.00 0.00 H new ATOM 1048 N VAL B 19 10.571 -0.241 -6.421 1.00 0.00 N ATOM 1049 CA VAL B 19 9.577 -1.250 -6.778 1.00 0.00 C ATOM 1050 C VAL B 19 10.236 -2.516 -7.318 1.00 0.00 C ATOM 1051 O VAL B 19 9.954 -3.619 -6.849 1.00 0.00 O ATOM 1052 CB VAL B 19 8.581 -0.715 -7.827 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.465 -1.720 -8.077 1.00 0.00 C ATOM 1054 CG2 VAL B 19 8.012 0.621 -7.386 1.00 0.00 C ATOM 0 H VAL B 19 10.441 0.658 -6.884 1.00 0.00 H new ATOM 0 HA VAL B 19 9.036 -1.491 -5.863 1.00 0.00 H new ATOM 0 HB VAL B 19 9.118 -0.568 -8.764 1.00 0.00 H new ATOM 0 HG11 VAL B 19 6.775 -1.320 -8.820 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.892 -2.654 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.928 -1.906 -7.147 1.00 0.00 H new ATOM 0 HG21 VAL B 19 7.311 0.984 -8.138 1.00 0.00 H new ATOM 0 HG22 VAL B 19 7.493 0.500 -6.435 1.00 0.00 H new ATOM 0 HG23 VAL B 19 8.822 1.340 -7.268 1.00 0.00 H new ATOM 1064 N LYS B 20 11.116 -2.353 -8.303 1.00 0.00 N ATOM 1065 CA LYS B 20 11.816 -3.490 -8.904 1.00 0.00 C ATOM 1066 C LYS B 20 12.517 -4.329 -7.837 1.00 0.00 C ATOM 1067 O LYS B 20 12.670 -5.542 -7.988 1.00 0.00 O ATOM 1068 CB LYS B 20 12.833 -3.006 -9.939 1.00 0.00 C ATOM 1069 CG LYS B 20 12.947 -3.915 -11.152 1.00 0.00 C ATOM 1070 CD LYS B 20 13.460 -5.294 -10.770 1.00 0.00 C ATOM 1071 CE LYS B 20 14.326 -5.891 -11.868 1.00 0.00 C ATOM 1072 NZ LYS B 20 14.253 -7.380 -11.894 1.00 0.00 N ATOM 0 H LYS B 20 11.362 -1.447 -8.703 1.00 0.00 H new ATOM 0 HA LYS B 20 11.074 -4.115 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.554 -2.006 -10.270 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.811 -2.923 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS B 20 11.972 -4.008 -11.631 1.00 0.00 H new ATOM 0 HG3 LYS B 20 13.619 -3.465 -11.883 1.00 0.00 H new ATOM 0 HD2 LYS B 20 14.036 -5.226 -9.847 1.00 0.00 H new ATOM 0 HD3 LYS B 20 12.616 -5.955 -10.571 1.00 0.00 H new ATOM 0 HE2 LYS B 20 14.009 -5.496 -12.833 1.00 0.00 H new ATOM 0 HE3 LYS B 20 15.361 -5.582 -11.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 14.858 -7.744 -12.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 14.579 -7.760 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 13.270 -7.677 -12.060 1.00 0.00 H new ATOM 1086 N GLU B 21 12.931 -3.674 -6.756 1.00 0.00 N ATOM 1087 CA GLU B 21 13.601 -4.356 -5.658 1.00 0.00 C ATOM 1088 C GLU B 21 12.604 -5.190 -4.862 1.00 0.00 C ATOM 1089 O GLU B 21 12.793 -6.391 -4.668 1.00 0.00 O ATOM 1090 CB GLU B 21 14.274 -3.341 -4.738 1.00 0.00 C ATOM 1091 CG GLU B 21 15.304 -2.469 -5.435 1.00 0.00 C ATOM 1092 CD GLU B 21 16.653 -3.146 -5.559 1.00 0.00 C ATOM 1093 OE1 GLU B 21 17.242 -3.494 -4.514 1.00 0.00 O ATOM 1094 OE2 GLU B 21 17.124 -3.330 -6.702 1.00 0.00 O ATOM 0 H GLU B 21 12.813 -2.670 -6.619 1.00 0.00 H new ATOM 0 HA GLU B 21 14.360 -5.017 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU B 21 13.509 -2.702 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.757 -3.872 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU B 21 14.940 -2.207 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.419 -1.537 -4.882 1.00 0.00 H new ATOM 1101 N LEU B 22 11.539 -4.538 -4.403 1.00 0.00 N ATOM 1102 CA LEU B 22 10.503 -5.211 -3.630 1.00 0.00 C ATOM 1103 C LEU B 22 9.799 -6.266 -4.477 1.00 0.00 C ATOM 1104 O LEU B 22 9.387 -7.310 -3.973 1.00 0.00 O ATOM 1105 CB LEU B 22 9.477 -4.195 -3.112 1.00 0.00 C ATOM 1106 CG LEU B 22 9.937 -3.310 -1.946 1.00 0.00 C ATOM 1107 CD1 LEU B 22 10.601 -4.138 -0.854 1.00 0.00 C ATOM 1108 CD2 LEU B 22 10.882 -2.222 -2.440 1.00 0.00 C ATOM 0 H LEU B 22 11.372 -3.543 -4.554 1.00 0.00 H new ATOM 0 HA LEU B 22 10.979 -5.702 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.185 -3.549 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU B 22 8.584 -4.737 -2.801 1.00 0.00 H new ATOM 0 HG LEU B 22 9.054 -2.836 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.916 -3.483 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.892 -4.873 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.471 -4.651 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.197 -1.605 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU B 22 11.756 -2.681 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.369 -1.600 -3.174 1.00 0.00 H new ATOM 1120 N SER B 23 9.661 -5.977 -5.768 1.00 0.00 N ATOM 1121 CA SER B 23 8.999 -6.891 -6.692 1.00 0.00 C ATOM 1122 C SER B 23 9.900 -8.072 -7.041 1.00 0.00 C ATOM 1123 O SER B 23 9.430 -9.203 -7.174 1.00 0.00 O ATOM 1124 CB SER B 23 8.597 -6.152 -7.970 1.00 0.00 C ATOM 1125 OG SER B 23 8.253 -7.061 -8.999 1.00 0.00 O ATOM 0 H SER B 23 9.999 -5.116 -6.198 1.00 0.00 H new ATOM 0 HA SER B 23 8.105 -7.275 -6.200 1.00 0.00 H new ATOM 0 HB2 SER B 23 7.752 -5.496 -7.763 1.00 0.00 H new ATOM 0 HB3 SER B 23 9.420 -5.518 -8.301 1.00 0.00 H new ATOM 0 HG SER B 23 7.478 -7.592 -8.721 1.00 0.00 H new ATOM 1131 N HIS B 24 11.192 -7.807 -7.193 1.00 0.00 N ATOM 1132 CA HIS B 24 12.151 -8.851 -7.534 1.00 0.00 C ATOM 1133 C HIS B 24 12.541 -9.665 -6.304 1.00 0.00 C ATOM 1134 O HIS B 24 12.826 -10.860 -6.404 1.00 0.00 O ATOM 1135 CB HIS B 24 13.401 -8.240 -8.169 1.00 0.00 C ATOM 1136 CG HIS B 24 14.331 -9.260 -8.748 1.00 0.00 C ATOM 1137 ND1 HIS B 24 15.650 -8.968 -8.999 1.00 0.00 N ATOM 1138 CD2 HIS B 24 14.085 -10.546 -9.102 1.00 0.00 C ATOM 1139 CE1 HIS B 24 16.176 -10.074 -9.497 1.00 0.00 C ATOM 1140 NE2 HIS B 24 15.265 -11.057 -9.579 1.00 0.00 N ATOM 0 H HIS B 24 11.600 -6.878 -7.086 1.00 0.00 H new ATOM 0 HA HIS B 24 11.674 -9.519 -8.251 1.00 0.00 H new ATOM 0 HB2 HIS B 24 13.099 -7.547 -8.954 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.934 -7.658 -7.417 1.00 0.00 H new ATOM 0 HD2 HIS B 24 13.142 -11.067 -9.023 1.00 0.00 H new ATOM 0 HE1 HIS B 24 17.208 -10.174 -9.800 1.00 0.00 H new ATOM 0 HE2 HIS B 24 15.421 -12.002 -9.929 1.00 0.00 H new ATOM 1148 N LYS B 25 12.558 -9.014 -5.147 1.00 0.00 N ATOM 1149 CA LYS B 25 12.922 -9.679 -3.901 1.00 0.00 C ATOM 1150 C LYS B 25 11.769 -10.520 -3.361 1.00 0.00 C ATOM 1151 O LYS B 25 11.926 -11.712 -3.104 1.00 0.00 O ATOM 1152 CB LYS B 25 13.347 -8.646 -2.855 1.00 0.00 C ATOM 1153 CG LYS B 25 14.005 -9.256 -1.627 1.00 0.00 C ATOM 1154 CD LYS B 25 13.029 -9.371 -0.469 1.00 0.00 C ATOM 1155 CE LYS B 25 13.394 -10.522 0.456 1.00 0.00 C ATOM 1156 NZ LYS B 25 14.720 -10.319 1.104 1.00 0.00 N ATOM 0 H LYS B 25 12.324 -8.026 -5.045 1.00 0.00 H new ATOM 0 HA LYS B 25 13.758 -10.346 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.039 -7.940 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.472 -8.077 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS B 25 14.394 -10.243 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS B 25 14.856 -8.644 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS B 25 13.021 -8.438 0.095 1.00 0.00 H new ATOM 0 HD3 LYS B 25 12.021 -9.519 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS B 25 12.628 -10.627 1.224 1.00 0.00 H new ATOM 0 HE3 LYS B 25 13.406 -11.453 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.915 -11.109 1.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 15.460 -10.279 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 14.712 -9.427 1.639 1.00 0.00 H new ATOM 1170 N PHE B 26 10.613 -9.890 -3.181 1.00 0.00 N ATOM 1171 CA PHE B 26 9.438 -10.582 -2.660 1.00 0.00 C ATOM 1172 C PHE B 26 8.574 -11.181 -3.775 1.00 0.00 C ATOM 1173 O PHE B 26 7.521 -11.758 -3.503 1.00 0.00 O ATOM 1174 CB PHE B 26 8.605 -9.626 -1.808 1.00 0.00 C ATOM 1175 CG PHE B 26 9.343 -9.112 -0.604 1.00 0.00 C ATOM 1176 CD1 PHE B 26 9.300 -9.802 0.597 1.00 0.00 C ATOM 1177 CD2 PHE B 26 10.085 -7.943 -0.677 1.00 0.00 C ATOM 1178 CE1 PHE B 26 9.985 -9.337 1.704 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.770 -7.474 0.428 1.00 0.00 C ATOM 1180 CZ PHE B 26 10.721 -8.171 1.618 1.00 0.00 C ATOM 0 H PHE B 26 10.464 -8.902 -3.388 1.00 0.00 H new ATOM 0 HA PHE B 26 9.793 -11.409 -2.045 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.291 -8.782 -2.422 1.00 0.00 H new ATOM 0 HB3 PHE B 26 7.699 -10.136 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE B 26 8.725 -10.713 0.669 1.00 0.00 H new ATOM 0 HD2 PHE B 26 10.128 -7.394 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE B 26 9.945 -9.884 2.634 1.00 0.00 H new ATOM 0 HE2 PHE B 26 11.344 -6.562 0.360 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.257 -7.805 2.481 1.00 0.00 H new ATOM 1190 N GLY B 27 9.015 -11.052 -5.029 1.00 0.00 N ATOM 1191 CA GLY B 27 8.257 -11.599 -6.142 1.00 0.00 C ATOM 1192 C GLY B 27 6.832 -11.081 -6.198 1.00 0.00 C ATOM 1193 O GLY B 27 5.914 -11.815 -6.562 1.00 0.00 O ATOM 0 H GLY B 27 9.881 -10.580 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.764 -11.354 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY B 27 8.240 -12.686 -6.064 1.00 0.00 H new ATOM 1197 N ILE B 28 6.646 -9.814 -5.841 1.00 0.00 N ATOM 1198 CA ILE B 28 5.321 -9.205 -5.858 1.00 0.00 C ATOM 1199 C ILE B 28 5.148 -8.308 -7.082 1.00 0.00 C ATOM 1200 O ILE B 28 6.116 -7.729 -7.575 1.00 0.00 O ATOM 1201 CB ILE B 28 5.052 -8.378 -4.585 1.00 0.00 C ATOM 1202 CG1 ILE B 28 6.248 -7.481 -4.260 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.740 -9.297 -3.413 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.998 -6.535 -3.105 1.00 0.00 C ATOM 0 H ILE B 28 7.394 -9.191 -5.537 1.00 0.00 H new ATOM 0 HA ILE B 28 4.602 -10.023 -5.900 1.00 0.00 H new ATOM 0 HB ILE B 28 4.187 -7.740 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE B 28 7.109 -8.107 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.507 -6.900 -5.145 1.00 0.00 H new ATOM 0 HG21 ILE B 28 4.552 -8.699 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.857 -9.893 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE B 28 5.587 -9.959 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.888 -5.930 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE B 28 5.158 -5.883 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.768 -7.109 -2.208 1.00 0.00 H new ATOM 1216 N PRO B 29 3.907 -8.175 -7.598 1.00 0.00 N ATOM 1217 CA PRO B 29 3.634 -7.338 -8.770 1.00 0.00 C ATOM 1218 C PRO B 29 4.107 -5.902 -8.573 1.00 0.00 C ATOM 1219 O PRO B 29 4.390 -5.481 -7.451 1.00 0.00 O ATOM 1220 CB PRO B 29 2.109 -7.385 -8.904 1.00 0.00 C ATOM 1221 CG PRO B 29 1.702 -8.638 -8.207 1.00 0.00 C ATOM 1222 CD PRO B 29 2.682 -8.822 -7.084 1.00 0.00 C ATOM 0 HA PRO B 29 4.159 -7.696 -9.655 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.645 -6.510 -8.448 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.804 -7.398 -9.950 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.683 -8.560 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.724 -9.489 -8.888 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.334 -8.352 -6.164 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.846 -9.876 -6.861 1.00 0.00 H new ATOM 1230 N ASN B 30 4.190 -5.154 -9.667 1.00 0.00 N ATOM 1231 CA ASN B 30 4.629 -3.765 -9.607 1.00 0.00 C ATOM 1232 C ASN B 30 3.627 -2.917 -8.831 1.00 0.00 C ATOM 1233 O ASN B 30 4.002 -1.962 -8.152 1.00 0.00 O ATOM 1234 CB ASN B 30 4.812 -3.205 -11.019 1.00 0.00 C ATOM 1235 CG ASN B 30 5.861 -3.962 -11.807 1.00 0.00 C ATOM 1236 OD1 ASN B 30 5.619 -5.073 -12.277 1.00 0.00 O ATOM 1237 ND2 ASN B 30 7.037 -3.364 -11.956 1.00 0.00 N ATOM 0 H ASN B 30 3.960 -5.485 -10.604 1.00 0.00 H new ATOM 0 HA ASN B 30 5.586 -3.730 -9.087 1.00 0.00 H new ATOM 0 HB2 ASN B 30 3.861 -3.247 -11.550 1.00 0.00 H new ATOM 0 HB3 ASN B 30 5.096 -2.154 -10.957 1.00 0.00 H new ATOM 0 HD21 ASN B 30 7.782 -3.827 -12.477 1.00 0.00 H new ATOM 0 HD22 ASN B 30 7.195 -2.442 -11.550 1.00 0.00 H new ATOM 1244 N LEU B 31 2.353 -3.279 -8.929 1.00 0.00 N ATOM 1245 CA LEU B 31 1.295 -2.557 -8.230 1.00 0.00 C ATOM 1246 C LEU B 31 1.528 -2.596 -6.723 1.00 0.00 C ATOM 1247 O LEU B 31 1.599 -1.557 -6.067 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.071 -3.164 -8.565 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.256 -2.566 -7.803 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -1.365 -1.073 -8.075 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -2.549 -3.282 -8.177 1.00 0.00 C ATOM 0 H LEU B 31 2.027 -4.069 -9.486 1.00 0.00 H new ATOM 0 HA LEU B 31 1.311 -1.518 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.250 -3.046 -9.634 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.034 -4.235 -8.364 1.00 0.00 H new ATOM 0 HG LEU B 31 -1.088 -2.706 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -2.213 -0.664 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -0.450 -0.577 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -1.511 -0.907 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -3.380 -2.843 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -2.727 -3.176 -9.247 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.465 -4.339 -7.926 1.00 0.00 H new ATOM 1263 N VAL B 32 1.651 -3.806 -6.183 1.00 0.00 N ATOM 1264 CA VAL B 32 1.884 -3.991 -4.756 1.00 0.00 C ATOM 1265 C VAL B 32 3.144 -3.257 -4.306 1.00 0.00 C ATOM 1266 O VAL B 32 3.118 -2.492 -3.341 1.00 0.00 O ATOM 1267 CB VAL B 32 2.020 -5.483 -4.398 1.00 0.00 C ATOM 1268 CG1 VAL B 32 2.063 -5.672 -2.890 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.881 -6.284 -5.011 1.00 0.00 C ATOM 0 H VAL B 32 1.593 -4.674 -6.715 1.00 0.00 H new ATOM 0 HA VAL B 32 1.019 -3.577 -4.238 1.00 0.00 H new ATOM 0 HB VAL B 32 2.959 -5.852 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL B 32 2.159 -6.733 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.917 -5.132 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL B 32 1.144 -5.286 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.993 -7.336 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.071 -5.914 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.903 -6.177 -6.095 1.00 0.00 H new ATOM 1279 N ALA B 33 4.243 -3.489 -5.016 1.00 0.00 N ATOM 1280 CA ALA B 33 5.510 -2.845 -4.694 1.00 0.00 C ATOM 1281 C ALA B 33 5.392 -1.330 -4.803 1.00 0.00 C ATOM 1282 O ALA B 33 5.971 -0.592 -4.006 1.00 0.00 O ATOM 1283 CB ALA B 33 6.610 -3.356 -5.609 1.00 0.00 C ATOM 0 H ALA B 33 4.281 -4.118 -5.818 1.00 0.00 H new ATOM 0 HA ALA B 33 5.766 -3.094 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.550 -2.866 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.717 -4.433 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA B 33 6.353 -3.136 -6.645 1.00 0.00 H new ATOM 1289 N ARG B 34 4.635 -0.871 -5.797 1.00 0.00 N ATOM 1290 CA ARG B 34 4.439 0.557 -6.012 1.00 0.00 C ATOM 1291 C ARG B 34 3.796 1.205 -4.789 1.00 0.00 C ATOM 1292 O ARG B 34 4.101 2.348 -4.447 1.00 0.00 O ATOM 1293 CB ARG B 34 3.568 0.795 -7.247 1.00 0.00 C ATOM 1294 CG ARG B 34 4.363 0.940 -8.535 1.00 0.00 C ATOM 1295 CD ARG B 34 3.450 0.977 -9.751 1.00 0.00 C ATOM 1296 NE ARG B 34 4.205 1.107 -10.998 1.00 0.00 N ATOM 1297 CZ ARG B 34 3.671 1.487 -12.160 1.00 0.00 C ATOM 1298 NH1 ARG B 34 2.378 1.779 -12.246 1.00 0.00 N ATOM 1299 NH2 ARG B 34 4.434 1.573 -13.240 1.00 0.00 N ATOM 0 H ARG B 34 4.148 -1.469 -6.465 1.00 0.00 H new ATOM 0 HA ARG B 34 5.416 1.013 -6.174 1.00 0.00 H new ATOM 0 HB2 ARG B 34 2.869 -0.034 -7.353 1.00 0.00 H new ATOM 0 HB3 ARG B 34 2.973 1.696 -7.094 1.00 0.00 H new ATOM 0 HG2 ARG B 34 4.957 1.853 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG B 34 5.062 0.109 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG B 34 2.851 0.067 -9.783 1.00 0.00 H new ATOM 0 HD3 ARG B 34 2.756 1.812 -9.658 1.00 0.00 H new ATOM 0 HE ARG B 34 5.202 0.894 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG B 34 1.784 1.714 -11.419 1.00 0.00 H new ATOM 0 HH12 ARG B 34 1.979 2.069 -13.139 1.00 0.00 H new ATOM 0 HH21 ARG B 34 5.427 1.349 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG B 34 4.028 1.863 -14.130 1.00 0.00 H new ATOM 1313 N GLN B 35 2.907 0.465 -4.134 1.00 0.00 N ATOM 1314 CA GLN B 35 2.223 0.966 -2.949 1.00 0.00 C ATOM 1315 C GLN B 35 3.220 1.275 -1.838 1.00 0.00 C ATOM 1316 O GLN B 35 3.047 2.234 -1.083 1.00 0.00 O ATOM 1317 CB GLN B 35 1.193 -0.053 -2.457 1.00 0.00 C ATOM 1318 CG GLN B 35 -0.062 -0.106 -3.311 1.00 0.00 C ATOM 1319 CD GLN B 35 -0.922 1.134 -3.160 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.316 1.498 -2.052 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -1.218 1.790 -4.276 1.00 0.00 N ATOM 0 H GLN B 35 2.644 -0.483 -4.404 1.00 0.00 H new ATOM 0 HA GLN B 35 1.709 1.888 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.652 -1.041 -2.438 1.00 0.00 H new ATOM 0 HB3 GLN B 35 0.915 0.189 -1.431 1.00 0.00 H new ATOM 0 HG2 GLN B 35 0.220 -0.223 -4.357 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -0.646 -0.985 -3.038 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -0.870 1.453 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -1.793 2.631 -4.236 1.00 0.00 H new ATOM 1330 N ILE B 36 4.266 0.462 -1.747 1.00 0.00 N ATOM 1331 CA ILE B 36 5.293 0.655 -0.731 1.00 0.00 C ATOM 1332 C ILE B 36 6.080 1.934 -0.996 1.00 0.00 C ATOM 1333 O ILE B 36 6.176 2.806 -0.134 1.00 0.00 O ATOM 1334 CB ILE B 36 6.266 -0.543 -0.678 1.00 0.00 C ATOM 1335 CG1 ILE B 36 5.488 -1.854 -0.560 1.00 0.00 C ATOM 1336 CG2 ILE B 36 7.237 -0.391 0.485 1.00 0.00 C ATOM 1337 CD1 ILE B 36 6.374 -3.080 -0.515 1.00 0.00 C ATOM 0 H ILE B 36 4.425 -0.335 -2.363 1.00 0.00 H new ATOM 0 HA ILE B 36 4.786 0.735 0.230 1.00 0.00 H new ATOM 0 HB ILE B 36 6.841 -0.564 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.876 -1.824 0.342 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.805 -1.940 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.915 -1.244 0.507 1.00 0.00 H new ATOM 0 HG22 ILE B 36 7.812 0.527 0.361 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.680 -0.346 1.421 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.755 -3.973 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.967 -3.134 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE B 36 7.039 -3.017 0.346 1.00 0.00 H new ATOM 1349 N VAL B 37 6.633 2.040 -2.199 1.00 0.00 N ATOM 1350 CA VAL B 37 7.403 3.216 -2.581 1.00 0.00 C ATOM 1351 C VAL B 37 6.504 4.449 -2.640 1.00 0.00 C ATOM 1352 O VAL B 37 6.911 5.544 -2.252 1.00 0.00 O ATOM 1353 CB VAL B 37 8.091 3.021 -3.949 1.00 0.00 C ATOM 1354 CG1 VAL B 37 8.973 4.212 -4.284 1.00 0.00 C ATOM 1355 CG2 VAL B 37 8.899 1.731 -3.956 1.00 0.00 C ATOM 0 H VAL B 37 6.562 1.327 -2.925 1.00 0.00 H new ATOM 0 HA VAL B 37 8.172 3.361 -1.822 1.00 0.00 H new ATOM 0 HB VAL B 37 7.319 2.948 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL B 37 9.448 4.052 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.365 5.116 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL B 37 9.740 4.323 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL B 37 9.378 1.607 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL B 37 9.661 1.775 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL B 37 8.237 0.886 -3.768 1.00 0.00 H new ATOM 1365 N ASN B 38 5.281 4.261 -3.124 1.00 0.00 N ATOM 1366 CA ASN B 38 4.325 5.357 -3.228 1.00 0.00 C ATOM 1367 C ASN B 38 3.953 5.880 -1.846 1.00 0.00 C ATOM 1368 O ASN B 38 3.682 7.069 -1.674 1.00 0.00 O ATOM 1369 CB ASN B 38 3.067 4.895 -3.968 1.00 0.00 C ATOM 1370 CG ASN B 38 3.288 4.768 -5.462 1.00 0.00 C ATOM 1371 OD1 ASN B 38 4.379 4.418 -5.913 1.00 0.00 O ATOM 1372 ND2 ASN B 38 2.251 5.052 -6.240 1.00 0.00 N ATOM 0 H ASN B 38 4.929 3.361 -3.450 1.00 0.00 H new ATOM 0 HA ASN B 38 4.792 6.165 -3.791 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.746 3.933 -3.568 1.00 0.00 H new ATOM 0 HB3 ASN B 38 2.259 5.603 -3.782 1.00 0.00 H new ATOM 0 HD21 ASN B 38 2.340 4.984 -7.254 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.365 5.338 -5.824 1.00 0.00 H new ATOM 1379 N SER B 39 3.946 4.987 -0.862 1.00 0.00 N ATOM 1380 CA SER B 39 3.611 5.361 0.508 1.00 0.00 C ATOM 1381 C SER B 39 4.733 6.183 1.132 1.00 0.00 C ATOM 1382 O SER B 39 4.486 7.054 1.968 1.00 0.00 O ATOM 1383 CB SER B 39 3.349 4.111 1.351 1.00 0.00 C ATOM 1384 OG SER B 39 3.195 4.446 2.719 1.00 0.00 O ATOM 0 H SER B 39 4.168 3.999 -0.987 1.00 0.00 H new ATOM 0 HA SER B 39 2.707 5.969 0.484 1.00 0.00 H new ATOM 0 HB2 SER B 39 2.451 3.608 0.993 1.00 0.00 H new ATOM 0 HB3 SER B 39 4.175 3.410 1.235 1.00 0.00 H new ATOM 0 HG SER B 39 3.027 3.632 3.238 1.00 0.00 H new ATOM 1390 N CYS B 40 5.964 5.902 0.722 1.00 0.00 N ATOM 1391 CA CYS B 40 7.124 6.616 1.240 1.00 0.00 C ATOM 1392 C CYS B 40 7.104 8.077 0.802 1.00 0.00 C ATOM 1393 O CYS B 40 7.198 8.381 -0.388 1.00 0.00 O ATOM 1394 CB CYS B 40 8.416 5.947 0.765 1.00 0.00 C ATOM 1395 SG CYS B 40 9.916 6.646 1.498 1.00 0.00 S ATOM 0 H CYS B 40 6.185 5.184 0.032 1.00 0.00 H new ATOM 0 HA CYS B 40 7.084 6.581 2.329 1.00 0.00 H new ATOM 0 HB2 CYS B 40 8.370 4.883 0.999 1.00 0.00 H new ATOM 0 HB3 CYS B 40 8.480 6.032 -0.320 1.00 0.00 H new ATOM 0 HG CYS B 40 10.857 6.691 0.602 1.00 0.00 H new ATOM 1400 N ALA B 41 6.976 8.977 1.772 1.00 0.00 N ATOM 1401 CA ALA B 41 6.943 10.407 1.487 1.00 0.00 C ATOM 1402 C ALA B 41 8.317 10.916 1.062 1.00 0.00 C ATOM 1403 O ALA B 41 8.427 11.797 0.210 1.00 0.00 O ATOM 1404 CB ALA B 41 6.446 11.175 2.703 1.00 0.00 C ATOM 0 H ALA B 41 6.894 8.742 2.761 1.00 0.00 H new ATOM 0 HA ALA B 41 6.253 10.571 0.659 1.00 0.00 H new ATOM 0 HB1 ALA B 41 6.426 12.241 2.477 1.00 0.00 H new ATOM 0 HB2 ALA B 41 5.441 10.840 2.959 1.00 0.00 H new ATOM 0 HB3 ALA B 41 7.114 10.995 3.545 1.00 0.00 H new ATOM 1410 N GLN B 42 9.362 10.354 1.660 1.00 0.00 N ATOM 1411 CA GLN B 42 10.729 10.751 1.345 1.00 0.00 C ATOM 1412 C GLN B 42 11.083 10.391 -0.096 1.00 0.00 C ATOM 1413 O GLN B 42 11.887 11.069 -0.736 1.00 0.00 O ATOM 1414 CB GLN B 42 11.712 10.082 2.306 1.00 0.00 C ATOM 1415 CG GLN B 42 11.873 10.820 3.624 1.00 0.00 C ATOM 1416 CD GLN B 42 13.159 10.459 4.341 1.00 0.00 C ATOM 1417 OE1 GLN B 42 13.447 9.284 4.571 1.00 0.00 O ATOM 1418 NE2 GLN B 42 13.942 11.470 4.699 1.00 0.00 N ATOM 0 H GLN B 42 9.288 9.622 2.366 1.00 0.00 H new ATOM 0 HA GLN B 42 10.801 11.833 1.458 1.00 0.00 H new ATOM 0 HB2 GLN B 42 11.375 9.065 2.508 1.00 0.00 H new ATOM 0 HB3 GLN B 42 12.685 10.005 1.821 1.00 0.00 H new ATOM 0 HG2 GLN B 42 11.853 11.894 3.439 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.025 10.592 4.270 1.00 0.00 H new ATOM 0 HE21 GLN B 42 13.665 12.429 4.489 1.00 0.00 H new ATOM 0 HE22 GLN B 42 14.820 11.288 5.184 1.00 0.00 H new ATOM 1427 N CYS B 43 10.476 9.323 -0.601 1.00 0.00 N ATOM 1428 CA CYS B 43 10.722 8.873 -1.965 1.00 0.00 C ATOM 1429 C CYS B 43 9.730 9.497 -2.946 1.00 0.00 C ATOM 1430 O CYS B 43 10.019 9.619 -4.137 1.00 0.00 O ATOM 1431 CB CYS B 43 10.651 7.346 -2.047 1.00 0.00 C ATOM 1432 SG CYS B 43 12.166 6.507 -1.519 1.00 0.00 S ATOM 0 H CYS B 43 9.808 8.751 -0.084 1.00 0.00 H new ATOM 0 HA CYS B 43 11.724 9.198 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS B 43 9.822 6.998 -1.431 1.00 0.00 H new ATOM 0 HB3 CYS B 43 10.428 7.058 -3.074 1.00 0.00 H new ATOM 0 HG CYS B 43 11.858 5.460 -0.813 1.00 0.00 H new ATOM 1437 N GLN B 44 8.561 9.892 -2.445 1.00 0.00 N ATOM 1438 CA GLN B 44 7.535 10.502 -3.285 1.00 0.00 C ATOM 1439 C GLN B 44 8.069 11.751 -3.982 1.00 0.00 C ATOM 1440 O GLN B 44 8.015 11.862 -5.207 1.00 0.00 O ATOM 1441 CB GLN B 44 6.306 10.860 -2.447 1.00 0.00 C ATOM 1442 CG GLN B 44 5.292 9.731 -2.344 1.00 0.00 C ATOM 1443 CD GLN B 44 4.011 10.023 -3.104 1.00 0.00 C ATOM 1444 OE1 GLN B 44 3.694 11.178 -3.387 1.00 0.00 O ATOM 1445 NE2 GLN B 44 3.267 8.974 -3.435 1.00 0.00 N ATOM 0 H GLN B 44 8.302 9.800 -1.463 1.00 0.00 H new ATOM 0 HA GLN B 44 7.250 9.777 -4.047 1.00 0.00 H new ATOM 0 HB2 GLN B 44 6.629 11.140 -1.444 1.00 0.00 H new ATOM 0 HB3 GLN B 44 5.822 11.734 -2.882 1.00 0.00 H new ATOM 0 HG2 GLN B 44 5.736 8.813 -2.728 1.00 0.00 H new ATOM 0 HG3 GLN B 44 5.055 9.556 -1.295 1.00 0.00 H new ATOM 0 HE21 GLN B 44 3.569 8.034 -3.180 1.00 0.00 H new ATOM 0 HE22 GLN B 44 2.394 9.109 -3.945 1.00 0.00 H new