USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 814 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 14 SER OG : rot 71:sc= 1.43 USER MOD Set 1.2: A 16 HIS : no HD1:sc= -1.96 K(o=3.3,f=0.8) USER MOD Set 1.3: A 90 THR OG1 : rot -105:sc= 0.612 USER MOD Set 1.4: A 108 CYS SG : rot -129:sc= 1.42 USER MOD Set 1.5: A 110 ASN : amide:sc= 1.81 K(o=3.3,f=0.25) USER MOD Set 2.1: A 80 SER OG : rot -160:sc= 0.00981 USER MOD Set 2.2: A 82 ASN : amide:sc= -0.0385 X(o=-0.029,f=-0.26) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.138 K(o=0.14,f=-3.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.663 K(o=-0.66,f=-0.096) USER MOD Single : A 29 CYS SG : rot 85:sc= -0.489 USER MOD Single : A 32 THR OG1 : rot 110:sc=-0.00268 USER MOD Single : A 35 TYR OH : rot -127:sc= 2.09 USER MOD Single : A 36 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.012) USER MOD Single : A 38 GLN : amide:sc= -0.0166 K(o=-0.017,f=-0.63) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.747 K(o=0.75,f=-0.2) USER MOD Single : A 49 CYS SG : rot 81:sc= -2.07! USER MOD Single : A 50 HIS : no HE2:sc= -0.675 K(o=-0.68,f=-6.3!) USER MOD Single : A 54 GLN : amide:sc= -0.482! C(o=-0.48!,f=-2.4!) USER MOD Single : A 55 GLN : amide:sc= -0.594 K(o=-0.59,f=-6.1!) USER MOD Single : A 60 SER OG : rot 81:sc= 1.12 USER MOD Single : A 62 GLN : amide:sc= -0.223 K(o=-0.22,f=-3.8!) USER MOD Single : A 63 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.028) USER MOD Single : A 73 SER OG : rot 42:sc= 0.0523 USER MOD Single : A 75 MET CE :methyl -142:sc= 0 (180deg=-0.0579) USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00624) USER MOD Single : A 83 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.31) USER MOD Single : A 88 MET CE :methyl 157:sc= -0.0994 (180deg=-1.54) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 78:sc= 0.215 USER MOD Single : A 94 THR OG1 : rot -137:sc= -0.116 USER MOD Single : A 96 GLN : amide:sc=-0.00585 X(o=-0.0058,f=-0.28) USER MOD Single : A 105 TYR OH : rot 180:sc= 0.565 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -98:sc= 1.29 USER MOD Single : A 112 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.980 11.148 -10.188 1.00 0.00 N ATOM 108 CA PRO A 9 -2.024 9.845 -10.870 1.00 0.00 C ATOM 109 C PRO A 9 -2.677 8.761 -10.010 1.00 0.00 C ATOM 110 O PRO A 9 -2.723 8.870 -8.785 1.00 0.00 O ATOM 111 CB PRO A 9 -0.549 9.523 -11.109 1.00 0.00 C ATOM 112 CG PRO A 9 0.118 10.851 -11.177 1.00 0.00 C ATOM 113 CD PRO A 9 -0.628 11.738 -10.218 1.00 0.00 C ATOM 0 HA PRO A 9 -2.620 9.880 -11.782 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.140 8.915 -10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.410 8.962 -12.033 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.170 10.774 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.083 11.254 -12.189 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.168 11.738 -9.230 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.649 12.773 -10.560 1.00 0.00 H new ATOM 121 N THR A 10 -3.162 7.706 -10.656 1.00 0.00 N ATOM 122 CA THR A 10 -3.949 6.682 -9.977 1.00 0.00 C ATOM 123 C THR A 10 -3.054 5.645 -9.288 1.00 0.00 C ATOM 124 O THR A 10 -3.525 4.622 -8.783 1.00 0.00 O ATOM 125 CB THR A 10 -4.895 5.987 -10.977 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.372 6.951 -11.926 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.086 5.367 -10.261 1.00 0.00 C ATOM 0 H THR A 10 -3.023 7.537 -11.652 1.00 0.00 H new ATOM 0 HA THR A 10 -4.540 7.175 -9.206 1.00 0.00 H new ATOM 0 HB THR A 10 -4.340 5.196 -11.483 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.972 6.512 -12.564 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.737 4.884 -10.989 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.734 4.627 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.642 6.145 -9.738 1.00 0.00 H new ATOM 135 N GLU A 11 -1.768 5.922 -9.261 1.00 0.00 N ATOM 136 CA GLU A 11 -0.817 5.085 -8.550 1.00 0.00 C ATOM 137 C GLU A 11 -0.146 5.912 -7.471 1.00 0.00 C ATOM 138 O GLU A 11 0.263 7.039 -7.732 1.00 0.00 O ATOM 139 CB GLU A 11 0.243 4.534 -9.508 1.00 0.00 C ATOM 140 CG GLU A 11 -0.310 3.642 -10.604 1.00 0.00 C ATOM 141 CD GLU A 11 0.775 3.129 -11.528 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.561 2.260 -11.103 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.855 3.594 -12.683 1.00 0.00 O ATOM 0 H GLU A 11 -1.351 6.728 -9.727 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.347 4.243 -8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.771 5.370 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.978 3.971 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.831 2.797 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.046 4.197 -11.185 1.00 0.00 H new ATOM 150 N PHE A 12 -0.024 5.374 -6.268 1.00 0.00 N ATOM 151 CA PHE A 12 0.612 6.126 -5.197 1.00 0.00 C ATOM 152 C PHE A 12 1.747 5.334 -4.570 1.00 0.00 C ATOM 153 O PHE A 12 1.611 4.143 -4.278 1.00 0.00 O ATOM 154 CB PHE A 12 -0.405 6.585 -4.131 1.00 0.00 C ATOM 155 CG PHE A 12 -0.959 5.511 -3.225 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.031 4.726 -3.620 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.424 5.315 -1.960 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.553 3.762 -2.774 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.945 4.358 -1.110 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.009 3.578 -1.516 1.00 0.00 C ATOM 0 H PHE A 12 -0.348 4.442 -6.011 1.00 0.00 H new ATOM 0 HA PHE A 12 1.036 7.026 -5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.070 7.344 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.240 7.067 -4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.464 4.868 -4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.411 5.918 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.385 3.154 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.519 4.220 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.415 2.827 -0.854 1.00 0.00 H new ATOM 170 N ILE A 13 2.875 6.002 -4.393 1.00 0.00 N ATOM 171 CA ILE A 13 4.036 5.402 -3.762 1.00 0.00 C ATOM 172 C ILE A 13 4.023 5.716 -2.274 1.00 0.00 C ATOM 173 O ILE A 13 3.931 6.878 -1.877 1.00 0.00 O ATOM 174 CB ILE A 13 5.354 5.922 -4.382 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.367 5.670 -5.894 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.553 5.258 -3.717 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.585 6.234 -6.595 1.00 0.00 C ATOM 0 H ILE A 13 3.010 6.971 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 13 3.987 4.325 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 13 5.419 6.997 -4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.320 4.596 -6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.471 6.107 -6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.472 5.635 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.549 5.484 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.496 4.179 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.524 6.017 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.623 7.313 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.485 5.779 -6.183 1.00 0.00 H new ATOM 189 N SER A 14 4.095 4.688 -1.459 1.00 0.00 N ATOM 190 CA SER A 14 4.071 4.870 -0.022 1.00 0.00 C ATOM 191 C SER A 14 5.199 4.097 0.647 1.00 0.00 C ATOM 192 O SER A 14 5.526 2.974 0.254 1.00 0.00 O ATOM 193 CB SER A 14 2.710 4.445 0.532 1.00 0.00 C ATOM 194 OG SER A 14 2.276 3.230 -0.059 1.00 0.00 O ATOM 0 H SER A 14 4.171 3.718 -1.764 1.00 0.00 H new ATOM 0 HA SER A 14 4.224 5.926 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.775 4.324 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.976 5.228 0.342 1.00 0.00 H new ATOM 0 HG SER A 14 2.822 2.489 0.277 1.00 0.00 H new ATOM 200 N ARG A 15 5.800 4.713 1.648 1.00 0.00 N ATOM 201 CA ARG A 15 6.847 4.079 2.420 1.00 0.00 C ATOM 202 C ARG A 15 6.316 3.814 3.814 1.00 0.00 C ATOM 203 O ARG A 15 5.839 4.726 4.494 1.00 0.00 O ATOM 204 CB ARG A 15 8.099 4.960 2.463 1.00 0.00 C ATOM 205 CG ARG A 15 8.642 5.285 1.081 1.00 0.00 C ATOM 206 CD ARG A 15 9.926 6.095 1.141 1.00 0.00 C ATOM 207 NE ARG A 15 10.383 6.460 -0.199 1.00 0.00 N ATOM 208 CZ ARG A 15 11.609 6.220 -0.664 1.00 0.00 C ATOM 209 NH1 ARG A 15 12.526 5.662 0.119 1.00 0.00 N ATOM 210 NH2 ARG A 15 11.923 6.562 -1.911 1.00 0.00 N ATOM 0 H ARG A 15 5.576 5.662 1.946 1.00 0.00 H new ATOM 0 HA ARG A 15 7.135 3.137 1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.866 5.889 2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.872 4.455 3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.825 4.358 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.891 5.840 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.763 6.997 1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.700 5.518 1.648 1.00 0.00 H new ATOM 0 HE ARG A 15 9.721 6.928 -0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.293 5.415 1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.463 5.481 -0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.226 7.007 -2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.860 6.379 -2.269 1.00 0.00 H new ATOM 224 N HIS A 16 6.362 2.565 4.226 1.00 0.00 N ATOM 225 CA HIS A 16 5.709 2.161 5.457 1.00 0.00 C ATOM 226 C HIS A 16 6.483 1.057 6.146 1.00 0.00 C ATOM 227 O HIS A 16 7.170 0.276 5.496 1.00 0.00 O ATOM 228 CB HIS A 16 4.260 1.717 5.175 1.00 0.00 C ATOM 229 CG HIS A 16 4.096 0.526 4.273 1.00 0.00 C ATOM 230 ND1 HIS A 16 2.953 -0.247 4.270 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.909 -0.015 3.337 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.075 -1.208 3.378 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.251 -1.092 2.792 1.00 0.00 N ATOM 0 H HIS A 16 6.842 1.813 3.731 1.00 0.00 H new ATOM 0 HA HIS A 16 5.684 3.020 6.127 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.778 1.495 6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.723 2.557 4.734 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.894 0.335 3.067 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.335 -1.965 3.162 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.612 -1.700 2.057 1.00 0.00 H new ATOM 242 N ASN A 17 6.348 0.980 7.456 1.00 0.00 N ATOM 243 CA ASN A 17 7.070 -0.012 8.232 1.00 0.00 C ATOM 244 C ASN A 17 6.419 -1.370 8.020 1.00 0.00 C ATOM 245 O ASN A 17 5.225 -1.439 7.722 1.00 0.00 O ATOM 246 CB ASN A 17 7.078 0.346 9.721 1.00 0.00 C ATOM 247 CG ASN A 17 7.938 -0.605 10.528 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.942 -1.119 10.037 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.545 -0.862 11.761 1.00 0.00 N ATOM 0 H ASN A 17 5.745 1.592 8.006 1.00 0.00 H new ATOM 0 HA ASN A 17 8.107 -0.039 7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.446 1.364 9.847 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.058 0.326 10.104 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.080 -1.507 12.343 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.706 -0.416 12.132 1.00 0.00 H new ATOM 256 N ILE A 18 7.217 -2.429 8.196 1.00 0.00 N ATOM 257 CA ILE A 18 6.858 -3.795 7.800 1.00 0.00 C ATOM 258 C ILE A 18 5.517 -4.266 8.363 1.00 0.00 C ATOM 259 O ILE A 18 4.912 -5.187 7.823 1.00 0.00 O ATOM 260 CB ILE A 18 7.958 -4.802 8.205 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.261 -4.702 9.705 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.217 -4.560 7.383 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.305 -5.690 10.182 1.00 0.00 C ATOM 0 H ILE A 18 8.141 -2.361 8.622 1.00 0.00 H new ATOM 0 HA ILE A 18 6.762 -3.761 6.715 1.00 0.00 H new ATOM 0 HB ILE A 18 7.598 -5.811 8.002 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.600 -3.691 9.932 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.339 -4.862 10.264 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.986 -5.275 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.990 -4.685 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.578 -3.547 7.559 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.467 -5.560 11.252 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.960 -6.706 9.988 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.240 -5.516 9.650 1.00 0.00 H new ATOM 275 N GLU A 19 5.055 -3.632 9.434 1.00 0.00 N ATOM 276 CA GLU A 19 3.759 -3.957 10.022 1.00 0.00 C ATOM 277 C GLU A 19 2.620 -3.431 9.147 1.00 0.00 C ATOM 278 O GLU A 19 1.447 -3.727 9.376 1.00 0.00 O ATOM 279 CB GLU A 19 3.656 -3.346 11.416 1.00 0.00 C ATOM 280 CG GLU A 19 4.779 -3.759 12.347 1.00 0.00 C ATOM 281 CD GLU A 19 4.688 -3.071 13.688 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.910 -3.540 14.547 1.00 0.00 O ATOM 283 OE2 GLU A 19 5.389 -2.057 13.886 1.00 0.00 O ATOM 0 H GLU A 19 5.560 -2.887 9.915 1.00 0.00 H new ATOM 0 HA GLU A 19 3.674 -5.042 10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.650 -2.260 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.703 -3.634 11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.751 -4.839 12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.738 -3.525 11.884 1.00 0.00 H new ATOM 290 N GLY A 20 2.977 -2.638 8.152 1.00 0.00 N ATOM 291 CA GLY A 20 1.997 -2.042 7.282 1.00 0.00 C ATOM 292 C GLY A 20 1.729 -0.603 7.652 1.00 0.00 C ATOM 293 O GLY A 20 0.884 0.045 7.042 1.00 0.00 O ATOM 0 H GLY A 20 3.943 -2.396 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.345 -2.094 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.069 -2.611 7.334 1.00 0.00 H new ATOM 297 N ILE A 21 2.481 -0.098 8.627 1.00 0.00 N ATOM 298 CA ILE A 21 2.250 1.243 9.173 1.00 0.00 C ATOM 299 C ILE A 21 2.823 2.310 8.256 1.00 0.00 C ATOM 300 O ILE A 21 4.037 2.384 8.074 1.00 0.00 O ATOM 301 CB ILE A 21 2.892 1.404 10.574 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.228 0.463 11.583 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.798 2.848 11.050 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.788 0.816 11.887 1.00 0.00 C ATOM 0 H ILE A 21 3.259 -0.597 9.058 1.00 0.00 H new ATOM 0 HA ILE A 21 1.170 1.366 9.255 1.00 0.00 H new ATOM 0 HB ILE A 21 3.946 1.138 10.496 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.270 -0.556 11.198 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.800 0.477 12.511 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.255 2.937 12.036 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.321 3.497 10.348 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.751 3.145 11.108 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.384 0.106 12.609 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.740 1.823 12.302 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.201 0.774 10.969 1.00 0.00 H new ATOM 316 N PHE A 22 1.950 3.131 7.688 1.00 0.00 N ATOM 317 CA PHE A 22 2.377 4.178 6.771 1.00 0.00 C ATOM 318 C PHE A 22 3.007 5.340 7.522 1.00 0.00 C ATOM 319 O PHE A 22 2.388 5.936 8.405 1.00 0.00 O ATOM 320 CB PHE A 22 1.200 4.673 5.931 1.00 0.00 C ATOM 321 CG PHE A 22 0.676 3.646 4.970 1.00 0.00 C ATOM 322 CD1 PHE A 22 1.278 3.463 3.738 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.419 2.864 5.300 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.797 2.519 2.850 1.00 0.00 C ATOM 325 CE2 PHE A 22 -0.903 1.922 4.417 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.293 1.747 3.190 1.00 0.00 C ATOM 0 H PHE A 22 0.943 3.092 7.846 1.00 0.00 H new ATOM 0 HA PHE A 22 3.128 3.751 6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.393 4.981 6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.509 5.557 5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.133 4.064 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.899 2.994 6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.275 2.387 1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.759 1.321 4.685 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.669 1.007 2.499 1.00 0.00 H new ATOM 336 N THR A 23 4.248 5.641 7.173 1.00 0.00 N ATOM 337 CA THR A 23 4.966 6.752 7.765 1.00 0.00 C ATOM 338 C THR A 23 5.166 7.873 6.748 1.00 0.00 C ATOM 339 O THR A 23 5.231 9.047 7.109 1.00 0.00 O ATOM 340 CB THR A 23 6.325 6.294 8.321 1.00 0.00 C ATOM 341 OG1 THR A 23 6.980 5.435 7.376 1.00 0.00 O ATOM 342 CG2 THR A 23 6.149 5.561 9.643 1.00 0.00 C ATOM 0 H THR A 23 4.781 5.123 6.475 1.00 0.00 H new ATOM 0 HA THR A 23 4.365 7.134 8.590 1.00 0.00 H new ATOM 0 HB THR A 23 6.939 7.178 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.845 5.150 7.738 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.123 5.247 10.017 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.679 6.226 10.368 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.518 4.685 9.492 1.00 0.00 H new ATOM 350 N PHE A 24 5.255 7.500 5.477 1.00 0.00 N ATOM 351 CA PHE A 24 5.371 8.471 4.397 1.00 0.00 C ATOM 352 C PHE A 24 4.443 8.088 3.247 1.00 0.00 C ATOM 353 O PHE A 24 4.592 7.025 2.646 1.00 0.00 O ATOM 354 CB PHE A 24 6.821 8.543 3.906 1.00 0.00 C ATOM 355 CG PHE A 24 7.048 9.556 2.816 1.00 0.00 C ATOM 356 CD1 PHE A 24 7.222 10.894 3.126 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.086 9.169 1.485 1.00 0.00 C ATOM 358 CE1 PHE A 24 7.431 11.829 2.130 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.293 10.101 0.483 1.00 0.00 C ATOM 360 CZ PHE A 24 7.464 11.431 0.806 1.00 0.00 C ATOM 0 H PHE A 24 5.249 6.528 5.169 1.00 0.00 H new ATOM 0 HA PHE A 24 5.079 9.452 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.468 8.781 4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.120 7.560 3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.194 11.211 4.158 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.953 8.129 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.568 12.869 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.321 9.787 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.623 12.161 0.026 1.00 0.00 H new ATOM 370 N VAL A 25 3.483 8.952 2.950 1.00 0.00 N ATOM 371 CA VAL A 25 2.520 8.695 1.888 1.00 0.00 C ATOM 372 C VAL A 25 2.533 9.820 0.862 1.00 0.00 C ATOM 373 O VAL A 25 2.464 10.997 1.222 1.00 0.00 O ATOM 374 CB VAL A 25 1.088 8.547 2.450 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.077 8.400 1.323 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.999 7.365 3.402 1.00 0.00 C ATOM 0 H VAL A 25 3.350 9.841 3.432 1.00 0.00 H new ATOM 0 HA VAL A 25 2.813 7.760 1.410 1.00 0.00 H new ATOM 0 HB VAL A 25 0.851 9.453 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.924 8.297 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.114 9.282 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.316 7.515 0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.018 7.282 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.264 6.450 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.688 7.515 4.233 1.00 0.00 H new ATOM 386 N ASP A 26 2.628 9.459 -0.411 1.00 0.00 N ATOM 387 CA ASP A 26 2.558 10.430 -1.491 1.00 0.00 C ATOM 388 C ASP A 26 1.119 10.898 -1.687 1.00 0.00 C ATOM 389 O ASP A 26 0.169 10.145 -1.470 1.00 0.00 O ATOM 390 CB ASP A 26 3.089 9.811 -2.785 1.00 0.00 C ATOM 391 CG ASP A 26 3.113 10.791 -3.941 1.00 0.00 C ATOM 392 OD1 ASP A 26 2.037 11.092 -4.501 1.00 0.00 O ATOM 393 OD2 ASP A 26 4.210 11.247 -4.314 1.00 0.00 O ATOM 0 H ASP A 26 2.754 8.495 -0.720 1.00 0.00 H new ATOM 0 HA ASP A 26 3.174 11.291 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.097 9.434 -2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.469 8.955 -3.053 1.00 0.00 H new ATOM 398 N HIS A 27 0.984 12.146 -2.110 1.00 0.00 N ATOM 399 CA HIS A 27 -0.306 12.817 -2.250 1.00 0.00 C ATOM 400 C HIS A 27 -1.229 12.112 -3.241 1.00 0.00 C ATOM 401 O HIS A 27 -2.429 12.378 -3.267 1.00 0.00 O ATOM 402 CB HIS A 27 -0.079 14.258 -2.704 1.00 0.00 C ATOM 403 CG HIS A 27 0.862 15.037 -1.830 1.00 0.00 C ATOM 404 ND1 HIS A 27 2.107 15.464 -2.250 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.738 15.455 -0.551 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.704 16.105 -1.262 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.895 16.111 -0.224 1.00 0.00 N ATOM 0 H HIS A 27 1.777 12.732 -2.370 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.795 12.792 -1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.311 14.249 -3.722 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.039 14.773 -2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.115 15.301 0.093 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.688 16.549 -1.299 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.098 16.537 0.681 1.00 0.00 H new ATOM 416 N ARG A 28 -0.670 11.221 -4.053 1.00 0.00 N ATOM 417 CA ARG A 28 -1.453 10.452 -5.018 1.00 0.00 C ATOM 418 C ARG A 28 -2.445 9.513 -4.329 1.00 0.00 C ATOM 419 O ARG A 28 -3.331 8.955 -4.977 1.00 0.00 O ATOM 420 CB ARG A 28 -0.518 9.662 -5.934 1.00 0.00 C ATOM 421 CG ARG A 28 0.053 10.498 -7.065 1.00 0.00 C ATOM 422 CD ARG A 28 1.256 9.839 -7.719 1.00 0.00 C ATOM 423 NE ARG A 28 2.480 10.057 -6.951 1.00 0.00 N ATOM 424 CZ ARG A 28 3.694 9.714 -7.370 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.849 9.058 -8.512 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.757 10.017 -6.638 1.00 0.00 N ATOM 0 H ARG A 28 0.328 11.012 -4.063 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.034 11.156 -5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.301 9.254 -5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.061 8.815 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.719 10.666 -7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.342 11.476 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.075 8.769 -7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.384 10.235 -8.726 1.00 0.00 H new ATOM 0 HE ARG A 28 2.398 10.500 -6.036 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.034 8.814 -9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.783 8.798 -8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.643 10.513 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.689 9.754 -6.959 1.00 0.00 H new ATOM 440 N CYS A 29 -2.299 9.358 -3.015 1.00 0.00 N ATOM 441 CA CYS A 29 -3.181 8.500 -2.228 1.00 0.00 C ATOM 442 C CYS A 29 -4.641 8.919 -2.356 1.00 0.00 C ATOM 443 O CYS A 29 -5.541 8.076 -2.369 1.00 0.00 O ATOM 444 CB CYS A 29 -2.761 8.521 -0.763 1.00 0.00 C ATOM 445 SG CYS A 29 -2.731 10.173 -0.045 1.00 0.00 S ATOM 0 H CYS A 29 -1.572 9.820 -2.469 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.090 7.487 -2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.445 7.897 -0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.770 8.076 -0.671 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.924 10.491 0.361 1.00 0.00 H new ATOM 451 N VAL A 30 -4.871 10.221 -2.480 1.00 0.00 N ATOM 452 CA VAL A 30 -6.225 10.754 -2.547 1.00 0.00 C ATOM 453 C VAL A 30 -6.908 10.310 -3.832 1.00 0.00 C ATOM 454 O VAL A 30 -8.121 10.115 -3.868 1.00 0.00 O ATOM 455 CB VAL A 30 -6.229 12.299 -2.459 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.343 12.766 -1.316 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.790 12.935 -3.770 1.00 0.00 C ATOM 0 H VAL A 30 -4.137 10.927 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.776 10.361 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.253 12.619 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.356 13.855 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.714 12.356 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.322 12.423 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.805 14.020 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.779 12.607 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.471 12.634 -4.566 1.00 0.00 H new ATOM 467 N ALA A 31 -6.116 10.118 -4.877 1.00 0.00 N ATOM 468 CA ALA A 31 -6.661 9.739 -6.168 1.00 0.00 C ATOM 469 C ALA A 31 -6.990 8.255 -6.205 1.00 0.00 C ATOM 470 O ALA A 31 -8.099 7.864 -6.570 1.00 0.00 O ATOM 471 CB ALA A 31 -5.682 10.098 -7.270 1.00 0.00 C ATOM 0 H ALA A 31 -5.101 10.218 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.588 10.290 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.099 9.810 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.500 11.173 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.743 9.569 -7.108 1.00 0.00 H new ATOM 477 N THR A 32 -6.020 7.432 -5.827 1.00 0.00 N ATOM 478 CA THR A 32 -6.201 5.990 -5.811 1.00 0.00 C ATOM 479 C THR A 32 -7.243 5.537 -4.787 1.00 0.00 C ATOM 480 O THR A 32 -8.156 4.782 -5.121 1.00 0.00 O ATOM 481 CB THR A 32 -4.867 5.283 -5.511 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.822 5.864 -6.298 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.964 3.799 -5.817 1.00 0.00 C ATOM 0 H THR A 32 -5.096 7.743 -5.526 1.00 0.00 H new ATOM 0 HA THR A 32 -6.561 5.715 -6.802 1.00 0.00 H new ATOM 0 HB THR A 32 -4.643 5.409 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.216 6.369 -5.716 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.010 3.319 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.745 3.351 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.206 3.660 -6.871 1.00 0.00 H new ATOM 491 N VAL A 33 -7.121 5.996 -3.544 1.00 0.00 N ATOM 492 CA VAL A 33 -7.934 5.438 -2.468 1.00 0.00 C ATOM 493 C VAL A 33 -8.647 6.510 -1.651 1.00 0.00 C ATOM 494 O VAL A 33 -9.149 6.233 -0.566 1.00 0.00 O ATOM 495 CB VAL A 33 -7.092 4.550 -1.526 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.515 3.372 -2.293 1.00 0.00 C ATOM 497 CG2 VAL A 33 -5.982 5.353 -0.858 1.00 0.00 C ATOM 0 H VAL A 33 -6.481 6.738 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.693 4.827 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.746 4.171 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.923 2.753 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.327 2.778 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.880 3.739 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.406 4.701 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.325 5.771 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.420 6.162 -0.274 1.00 0.00 H new ATOM 507 N GLY A 34 -8.684 7.730 -2.167 1.00 0.00 N ATOM 508 CA GLY A 34 -9.442 8.793 -1.522 1.00 0.00 C ATOM 509 C GLY A 34 -8.806 9.336 -0.251 1.00 0.00 C ATOM 510 O GLY A 34 -9.031 10.492 0.110 1.00 0.00 O ATOM 0 H GLY A 34 -8.203 8.007 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.569 9.613 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.438 8.420 -1.285 1.00 0.00 H new ATOM 514 N TYR A 35 -8.016 8.517 0.431 1.00 0.00 N ATOM 515 CA TYR A 35 -7.418 8.930 1.688 1.00 0.00 C ATOM 516 C TYR A 35 -6.357 9.978 1.437 1.00 0.00 C ATOM 517 O TYR A 35 -5.596 9.896 0.480 1.00 0.00 O ATOM 518 CB TYR A 35 -6.777 7.759 2.437 1.00 0.00 C ATOM 519 CG TYR A 35 -7.730 6.650 2.824 1.00 0.00 C ATOM 520 CD1 TYR A 35 -9.002 6.932 3.304 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.348 5.320 2.720 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.867 5.918 3.670 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.204 4.302 3.085 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.464 4.604 3.559 1.00 0.00 C ATOM 525 OH TYR A 35 -10.316 3.588 3.932 1.00 0.00 O ATOM 0 H TYR A 35 -7.777 7.570 0.136 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.222 9.334 2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.987 7.338 1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.302 8.141 3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.321 7.960 3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.364 5.078 2.347 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.854 6.154 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.889 3.272 3.000 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.859 2.993 4.563 1.00 0.00 H new ATOM 535 N GLN A 36 -6.314 10.959 2.305 1.00 0.00 N ATOM 536 CA GLN A 36 -5.293 11.981 2.228 1.00 0.00 C ATOM 537 C GLN A 36 -4.055 11.445 2.937 1.00 0.00 C ATOM 538 O GLN A 36 -4.187 10.577 3.800 1.00 0.00 O ATOM 539 CB GLN A 36 -5.756 13.281 2.905 1.00 0.00 C ATOM 540 CG GLN A 36 -7.206 13.682 2.641 1.00 0.00 C ATOM 541 CD GLN A 36 -7.464 14.152 1.223 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.267 15.324 0.903 1.00 0.00 O ATOM 543 NE2 GLN A 36 -7.954 13.260 0.376 1.00 0.00 N ATOM 0 H GLN A 36 -6.974 11.073 3.074 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.081 12.212 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.616 13.179 3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.107 14.092 2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.853 12.831 2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.485 14.476 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.103 12.297 0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.182 13.535 -0.579 1.00 0.00 H new ATOM 552 N PRO A 37 -2.851 11.928 2.593 1.00 0.00 N ATOM 553 CA PRO A 37 -1.605 11.421 3.179 1.00 0.00 C ATOM 554 C PRO A 37 -1.688 11.330 4.699 1.00 0.00 C ATOM 555 O PRO A 37 -1.423 10.282 5.289 1.00 0.00 O ATOM 556 CB PRO A 37 -0.569 12.466 2.766 1.00 0.00 C ATOM 557 CG PRO A 37 -1.105 13.059 1.510 1.00 0.00 C ATOM 558 CD PRO A 37 -2.606 12.997 1.610 1.00 0.00 C ATOM 0 HA PRO A 37 -1.370 10.412 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.443 13.224 3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.408 12.011 2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.767 14.089 1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.752 12.506 0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.024 13.948 1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.062 12.766 0.647 1.00 0.00 H new ATOM 566 N GLN A 38 -2.121 12.433 5.299 1.00 0.00 N ATOM 567 CA GLN A 38 -2.254 12.544 6.745 1.00 0.00 C ATOM 568 C GLN A 38 -3.128 11.430 7.310 1.00 0.00 C ATOM 569 O GLN A 38 -2.755 10.773 8.279 1.00 0.00 O ATOM 570 CB GLN A 38 -2.868 13.898 7.103 1.00 0.00 C ATOM 571 CG GLN A 38 -2.087 15.090 6.580 1.00 0.00 C ATOM 572 CD GLN A 38 -0.700 15.196 7.182 1.00 0.00 C ATOM 573 OE1 GLN A 38 -0.472 14.788 8.319 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.230 15.747 6.421 1.00 0.00 N ATOM 0 H GLN A 38 -2.390 13.277 4.794 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.259 12.456 7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.883 13.941 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.945 13.975 8.188 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.002 15.015 5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.641 16.004 6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.005 16.072 5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.182 15.848 6.772 1.00 0.00 H new ATOM 583 N GLU A 39 -4.267 11.199 6.663 1.00 0.00 N ATOM 584 CA GLU A 39 -5.284 10.286 7.180 1.00 0.00 C ATOM 585 C GLU A 39 -4.736 8.866 7.273 1.00 0.00 C ATOM 586 O GLU A 39 -5.155 8.078 8.122 1.00 0.00 O ATOM 587 CB GLU A 39 -6.520 10.282 6.274 1.00 0.00 C ATOM 588 CG GLU A 39 -6.926 11.649 5.736 1.00 0.00 C ATOM 589 CD GLU A 39 -7.196 12.674 6.815 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.222 12.548 7.514 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.398 13.627 6.948 1.00 0.00 O ATOM 0 H GLU A 39 -4.511 11.635 5.773 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.564 10.634 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.332 9.617 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.359 9.863 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.136 12.021 5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.820 11.537 5.123 1.00 0.00 H new ATOM 598 N LEU A 40 -3.802 8.546 6.389 1.00 0.00 N ATOM 599 CA LEU A 40 -3.271 7.196 6.293 1.00 0.00 C ATOM 600 C LEU A 40 -2.066 7.006 7.218 1.00 0.00 C ATOM 601 O LEU A 40 -1.768 5.888 7.641 1.00 0.00 O ATOM 602 CB LEU A 40 -2.887 6.915 4.837 1.00 0.00 C ATOM 603 CG LEU A 40 -2.614 5.452 4.490 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.823 4.589 4.809 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.248 5.327 3.019 1.00 0.00 C ATOM 0 H LEU A 40 -3.396 9.206 5.726 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.037 6.489 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.689 7.278 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.997 7.497 4.597 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.777 5.102 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.607 3.551 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.051 4.662 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.679 4.934 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.055 4.281 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.072 5.693 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.354 5.917 2.815 1.00 0.00 H new ATOM 617 N LEU A 41 -1.377 8.104 7.525 1.00 0.00 N ATOM 618 CA LEU A 41 -0.201 8.055 8.394 1.00 0.00 C ATOM 619 C LEU A 41 -0.555 7.518 9.778 1.00 0.00 C ATOM 620 O LEU A 41 -1.318 8.136 10.524 1.00 0.00 O ATOM 621 CB LEU A 41 0.437 9.440 8.525 1.00 0.00 C ATOM 622 CG LEU A 41 0.869 10.088 7.210 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.451 11.471 7.463 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.874 9.201 6.489 1.00 0.00 C ATOM 0 H LEU A 41 -1.612 9.037 7.186 1.00 0.00 H new ATOM 0 HA LEU A 41 0.516 7.376 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.272 10.103 9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.308 9.360 9.175 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.008 10.201 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.753 11.917 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.699 12.101 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.319 11.387 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.173 9.675 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.751 9.058 7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.419 8.234 6.276 1.00 0.00 H new ATOM 636 N GLY A 42 0.004 6.362 10.112 1.00 0.00 N ATOM 637 CA GLY A 42 -0.233 5.766 11.410 1.00 0.00 C ATOM 638 C GLY A 42 -1.103 4.529 11.324 1.00 0.00 C ATOM 639 O GLY A 42 -1.204 3.762 12.282 1.00 0.00 O ATOM 0 H GLY A 42 0.621 5.825 9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.721 5.505 11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.709 6.498 12.062 1.00 0.00 H new ATOM 643 N LYS A 43 -1.722 4.329 10.171 1.00 0.00 N ATOM 644 CA LYS A 43 -2.610 3.200 9.965 1.00 0.00 C ATOM 645 C LYS A 43 -1.910 2.111 9.164 1.00 0.00 C ATOM 646 O LYS A 43 -0.967 2.389 8.419 1.00 0.00 O ATOM 647 CB LYS A 43 -3.868 3.656 9.221 1.00 0.00 C ATOM 648 CG LYS A 43 -4.703 4.689 9.971 1.00 0.00 C ATOM 649 CD LYS A 43 -5.709 4.047 10.920 1.00 0.00 C ATOM 650 CE LYS A 43 -5.037 3.328 12.078 1.00 0.00 C ATOM 651 NZ LYS A 43 -6.029 2.686 12.981 1.00 0.00 N ATOM 0 H LYS A 43 -1.623 4.939 9.360 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.890 2.797 10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.575 4.074 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.489 2.785 9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.042 5.345 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.233 5.314 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.376 4.815 11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.327 3.340 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.356 2.571 11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.435 4.037 12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.532 2.206 13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.663 3.412 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.587 1.991 12.445 1.00 0.00 H new ATOM 665 N ASN A 44 -2.351 0.872 9.339 1.00 0.00 N ATOM 666 CA ASN A 44 -1.852 -0.232 8.556 1.00 0.00 C ATOM 667 C ASN A 44 -2.611 -0.319 7.246 1.00 0.00 C ATOM 668 O ASN A 44 -3.807 -0.034 7.192 1.00 0.00 O ATOM 669 CB ASN A 44 -2.062 -1.543 9.303 1.00 0.00 C ATOM 670 CG ASN A 44 -1.526 -1.531 10.719 1.00 0.00 C ATOM 671 OD1 ASN A 44 -2.180 -1.036 11.637 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.351 -2.111 10.917 1.00 0.00 N ATOM 0 H ASN A 44 -3.060 0.613 10.025 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.790 -0.067 8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.128 -1.769 9.330 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.580 -2.348 8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.042 -2.159 11.857 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.160 -2.510 10.129 1.00 0.00 H new ATOM 679 N ILE A 45 -1.916 -0.735 6.201 1.00 0.00 N ATOM 680 CA ILE A 45 -2.550 -1.032 4.923 1.00 0.00 C ATOM 681 C ILE A 45 -3.565 -2.168 5.087 1.00 0.00 C ATOM 682 O ILE A 45 -4.542 -2.259 4.349 1.00 0.00 O ATOM 683 CB ILE A 45 -1.490 -1.416 3.861 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.147 -1.718 2.511 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.664 -2.606 4.330 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.156 -2.018 1.402 1.00 0.00 C ATOM 0 H ILE A 45 -0.906 -0.876 6.211 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.071 -0.137 4.583 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.824 -0.563 3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.818 -2.569 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.760 -0.866 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.074 -2.859 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.155 -2.352 5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.320 -3.461 4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.696 -2.222 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.500 -1.159 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.559 -2.889 1.673 1.00 0.00 H new ATOM 698 N VAL A 46 -3.338 -3.009 6.093 1.00 0.00 N ATOM 699 CA VAL A 46 -4.202 -4.148 6.359 1.00 0.00 C ATOM 700 C VAL A 46 -5.525 -3.704 7.001 1.00 0.00 C ATOM 701 O VAL A 46 -6.498 -4.456 7.023 1.00 0.00 O ATOM 702 CB VAL A 46 -3.487 -5.187 7.259 1.00 0.00 C ATOM 703 CG1 VAL A 46 -3.388 -4.706 8.700 1.00 0.00 C ATOM 704 CG2 VAL A 46 -4.174 -6.541 7.179 1.00 0.00 C ATOM 0 H VAL A 46 -2.555 -2.918 6.740 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.430 -4.619 5.403 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.470 -5.302 6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.881 -5.460 9.301 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.823 -3.774 8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.389 -4.538 9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.653 -7.252 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.208 -6.445 7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.155 -6.899 6.149 1.00 0.00 H new ATOM 714 N GLU A 47 -5.564 -2.472 7.505 1.00 0.00 N ATOM 715 CA GLU A 47 -6.774 -1.940 8.127 1.00 0.00 C ATOM 716 C GLU A 47 -7.795 -1.548 7.071 1.00 0.00 C ATOM 717 O GLU A 47 -9.003 -1.597 7.304 1.00 0.00 O ATOM 718 CB GLU A 47 -6.446 -0.726 8.995 1.00 0.00 C ATOM 719 CG GLU A 47 -5.606 -1.061 10.211 1.00 0.00 C ATOM 720 CD GLU A 47 -6.317 -1.981 11.171 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.031 -1.478 12.063 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.173 -3.210 11.037 1.00 0.00 O ATOM 0 H GLU A 47 -4.775 -1.826 7.495 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.197 -2.724 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.918 0.011 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.376 -0.262 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.676 -1.528 9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.338 -0.140 10.728 1.00 0.00 H new ATOM 729 N PHE A 48 -7.299 -1.163 5.905 1.00 0.00 N ATOM 730 CA PHE A 48 -8.163 -0.722 4.823 1.00 0.00 C ATOM 731 C PHE A 48 -8.095 -1.698 3.662 1.00 0.00 C ATOM 732 O PHE A 48 -8.517 -1.390 2.549 1.00 0.00 O ATOM 733 CB PHE A 48 -7.768 0.679 4.363 1.00 0.00 C ATOM 734 CG PHE A 48 -7.682 1.667 5.488 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.817 2.051 6.179 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.462 2.208 5.857 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.740 2.952 7.221 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.379 3.113 6.897 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.519 3.485 7.580 1.00 0.00 C ATOM 0 H PHE A 48 -6.303 -1.147 5.685 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.189 -0.689 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.804 0.630 3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.495 1.033 3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.776 1.640 5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.567 1.919 5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.634 3.240 7.755 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.422 3.529 7.176 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.456 4.192 8.394 1.00 0.00 H new ATOM 749 N CYS A 49 -7.544 -2.869 3.930 1.00 0.00 N ATOM 750 CA CYS A 49 -7.483 -3.923 2.935 1.00 0.00 C ATOM 751 C CYS A 49 -8.756 -4.760 2.977 1.00 0.00 C ATOM 752 O CYS A 49 -9.324 -4.978 4.046 1.00 0.00 O ATOM 753 CB CYS A 49 -6.269 -4.818 3.190 1.00 0.00 C ATOM 754 SG CYS A 49 -6.130 -6.208 2.045 1.00 0.00 S ATOM 0 H CYS A 49 -7.132 -3.113 4.830 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.389 -3.466 1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.364 -4.214 3.124 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.321 -5.203 4.208 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.589 -5.803 0.934 1.00 0.00 H new ATOM 760 N HIS A 50 -9.218 -5.180 1.805 1.00 0.00 N ATOM 761 CA HIS A 50 -10.347 -6.103 1.688 1.00 0.00 C ATOM 762 C HIS A 50 -10.133 -7.309 2.600 1.00 0.00 C ATOM 763 O HIS A 50 -9.090 -7.950 2.548 1.00 0.00 O ATOM 764 CB HIS A 50 -10.489 -6.553 0.228 1.00 0.00 C ATOM 765 CG HIS A 50 -11.681 -7.422 -0.045 1.00 0.00 C ATOM 766 ND1 HIS A 50 -11.579 -8.747 -0.405 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.004 -7.142 -0.026 1.00 0.00 C ATOM 768 CE1 HIS A 50 -12.788 -9.245 -0.594 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.671 -8.289 -0.371 1.00 0.00 N ATOM 0 H HIS A 50 -8.823 -4.893 0.909 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.263 -5.598 1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.547 -5.669 -0.407 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.588 -7.094 -0.061 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -10.706 -9.264 -0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.453 -6.190 0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.015 -10.261 -0.882 1.00 0.00 H new ATOM 778 N PRO A 51 -11.132 -7.607 3.458 1.00 0.00 N ATOM 779 CA PRO A 51 -11.041 -8.621 4.526 1.00 0.00 C ATOM 780 C PRO A 51 -10.505 -9.977 4.071 1.00 0.00 C ATOM 781 O PRO A 51 -9.808 -10.649 4.830 1.00 0.00 O ATOM 782 CB PRO A 51 -12.485 -8.766 5.030 1.00 0.00 C ATOM 783 CG PRO A 51 -13.332 -7.989 4.079 1.00 0.00 C ATOM 784 CD PRO A 51 -12.441 -6.942 3.480 1.00 0.00 C ATOM 0 HA PRO A 51 -10.329 -8.298 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.786 -9.813 5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.585 -8.381 6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.744 -8.638 3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.177 -7.532 4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.767 -6.657 2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.423 -6.033 4.081 1.00 0.00 H new ATOM 792 N GLU A 52 -10.813 -10.380 2.842 1.00 0.00 N ATOM 793 CA GLU A 52 -10.348 -11.668 2.329 1.00 0.00 C ATOM 794 C GLU A 52 -8.923 -11.571 1.794 1.00 0.00 C ATOM 795 O GLU A 52 -8.284 -12.584 1.516 1.00 0.00 O ATOM 796 CB GLU A 52 -11.258 -12.164 1.214 1.00 0.00 C ATOM 797 CG GLU A 52 -12.665 -12.500 1.664 1.00 0.00 C ATOM 798 CD GLU A 52 -13.539 -12.945 0.513 1.00 0.00 C ATOM 799 OE1 GLU A 52 -13.553 -14.155 0.204 1.00 0.00 O ATOM 800 OE2 GLU A 52 -14.214 -12.088 -0.092 1.00 0.00 O ATOM 0 H GLU A 52 -11.378 -9.840 2.186 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.369 -12.371 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.310 -11.402 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.811 -13.050 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.626 -13.289 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.111 -11.627 2.141 1.00 0.00 H new ATOM 807 N ASP A 53 -8.421 -10.352 1.685 1.00 0.00 N ATOM 808 CA ASP A 53 -7.155 -10.103 1.007 1.00 0.00 C ATOM 809 C ASP A 53 -6.108 -9.699 2.032 1.00 0.00 C ATOM 810 O ASP A 53 -4.927 -9.669 1.739 1.00 0.00 O ATOM 811 CB ASP A 53 -7.290 -8.965 -0.021 1.00 0.00 C ATOM 812 CG ASP A 53 -8.475 -9.091 -0.970 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.299 -10.021 -0.820 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.612 -8.225 -1.855 1.00 0.00 O ATOM 0 H ASP A 53 -8.871 -9.516 2.058 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.862 -11.017 0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.372 -8.019 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.375 -8.918 -0.611 1.00 0.00 H new ATOM 819 N GLN A 54 -6.565 -9.388 3.240 1.00 0.00 N ATOM 820 CA GLN A 54 -5.699 -8.916 4.309 1.00 0.00 C ATOM 821 C GLN A 54 -4.629 -9.953 4.642 1.00 0.00 C ATOM 822 O GLN A 54 -3.470 -9.612 4.851 1.00 0.00 O ATOM 823 CB GLN A 54 -6.533 -8.581 5.555 1.00 0.00 C ATOM 824 CG GLN A 54 -7.689 -7.625 5.278 1.00 0.00 C ATOM 825 CD GLN A 54 -8.489 -7.271 6.502 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.575 -8.044 7.455 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.109 -6.103 6.465 1.00 0.00 N ATOM 0 H GLN A 54 -7.548 -9.457 3.504 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.195 -8.011 3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.930 -9.505 5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.882 -8.141 6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.294 -6.710 4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.352 -8.075 4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.006 -5.497 5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.690 -5.809 7.250 1.00 0.00 H new ATOM 836 N GLN A 55 -5.021 -11.224 4.669 1.00 0.00 N ATOM 837 CA GLN A 55 -4.085 -12.312 4.936 1.00 0.00 C ATOM 838 C GLN A 55 -3.236 -12.630 3.710 1.00 0.00 C ATOM 839 O GLN A 55 -2.077 -13.025 3.834 1.00 0.00 O ATOM 840 CB GLN A 55 -4.831 -13.564 5.402 1.00 0.00 C ATOM 841 CG GLN A 55 -5.128 -13.569 6.894 1.00 0.00 C ATOM 842 CD GLN A 55 -3.873 -13.511 7.758 1.00 0.00 C ATOM 843 OE1 GLN A 55 -3.883 -12.931 8.844 1.00 0.00 O ATOM 844 NE2 GLN A 55 -2.790 -14.132 7.305 1.00 0.00 N ATOM 0 H GLN A 55 -5.982 -11.526 4.509 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.417 -11.983 5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.769 -13.645 4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.239 -14.445 5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.765 -12.718 7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.691 -14.469 7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.813 -14.604 6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.935 -14.137 7.861 1.00 0.00 H new ATOM 853 N LEU A 56 -3.807 -12.430 2.530 1.00 0.00 N ATOM 854 CA LEU A 56 -3.106 -12.694 1.279 1.00 0.00 C ATOM 855 C LEU A 56 -1.989 -11.675 1.128 1.00 0.00 C ATOM 856 O LEU A 56 -0.830 -12.006 0.865 1.00 0.00 O ATOM 857 CB LEU A 56 -4.106 -12.612 0.110 1.00 0.00 C ATOM 858 CG LEU A 56 -3.534 -12.819 -1.299 1.00 0.00 C ATOM 859 CD1 LEU A 56 -4.610 -13.313 -2.243 1.00 0.00 C ATOM 860 CD2 LEU A 56 -2.939 -11.532 -1.849 1.00 0.00 C ATOM 0 H LEU A 56 -4.759 -12.084 2.412 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.670 -13.693 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.884 -13.357 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.588 -11.635 0.142 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.744 -13.566 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.185 -13.454 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.005 -14.262 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.415 -12.580 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.542 -11.712 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.712 -10.766 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.135 -11.194 -1.195 1.00 0.00 H new ATOM 872 N LEU A 57 -2.376 -10.435 1.325 1.00 0.00 N ATOM 873 CA LEU A 57 -1.477 -9.305 1.330 1.00 0.00 C ATOM 874 C LEU A 57 -0.440 -9.456 2.450 1.00 0.00 C ATOM 875 O LEU A 57 0.753 -9.237 2.233 1.00 0.00 O ATOM 876 CB LEU A 57 -2.337 -8.029 1.464 1.00 0.00 C ATOM 877 CG LEU A 57 -1.801 -6.917 2.356 1.00 0.00 C ATOM 878 CD1 LEU A 57 -0.488 -6.396 1.814 1.00 0.00 C ATOM 879 CD2 LEU A 57 -2.810 -5.788 2.466 1.00 0.00 C ATOM 0 H LEU A 57 -3.349 -10.179 1.490 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.904 -9.243 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.488 -7.618 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.317 -8.321 1.841 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.631 -7.326 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.117 -5.602 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.239 -7.207 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.640 -6.003 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.409 -5.003 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.009 -5.380 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.737 -6.169 2.895 1.00 0.00 H new ATOM 891 N ARG A 58 -0.896 -9.864 3.631 1.00 0.00 N ATOM 892 CA ARG A 58 -0.010 -10.090 4.772 1.00 0.00 C ATOM 893 C ARG A 58 1.083 -11.096 4.419 1.00 0.00 C ATOM 894 O ARG A 58 2.270 -10.810 4.557 1.00 0.00 O ATOM 895 CB ARG A 58 -0.813 -10.607 5.963 1.00 0.00 C ATOM 896 CG ARG A 58 -0.001 -10.750 7.236 1.00 0.00 C ATOM 897 CD ARG A 58 -0.853 -11.298 8.370 1.00 0.00 C ATOM 898 NE ARG A 58 -0.083 -11.474 9.597 1.00 0.00 N ATOM 899 CZ ARG A 58 -0.564 -12.010 10.719 1.00 0.00 C ATOM 900 NH1 ARG A 58 -1.814 -12.467 10.771 1.00 0.00 N ATOM 901 NH2 ARG A 58 0.208 -12.092 11.794 1.00 0.00 N ATOM 0 H ARG A 58 -1.881 -10.046 3.825 1.00 0.00 H new ATOM 0 HA ARG A 58 0.458 -9.141 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.646 -9.929 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.242 -11.576 5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.845 -11.414 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.409 -9.781 7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.685 -10.620 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.282 -12.254 8.071 1.00 0.00 H new ATOM 0 HE ARG A 58 0.889 -11.166 9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.413 -12.409 9.947 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.172 -12.875 11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.167 -11.746 11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.157 -12.501 12.654 1.00 0.00 H new ATOM 915 N ASP A 59 0.662 -12.266 3.942 1.00 0.00 N ATOM 916 CA ASP A 59 1.579 -13.349 3.577 1.00 0.00 C ATOM 917 C ASP A 59 2.569 -12.894 2.513 1.00 0.00 C ATOM 918 O ASP A 59 3.723 -13.325 2.481 1.00 0.00 O ATOM 919 CB ASP A 59 0.779 -14.540 3.051 1.00 0.00 C ATOM 920 CG ASP A 59 1.633 -15.771 2.821 1.00 0.00 C ATOM 921 OD1 ASP A 59 1.831 -16.554 3.776 1.00 0.00 O ATOM 922 OD2 ASP A 59 2.094 -15.977 1.680 1.00 0.00 O ATOM 0 H ASP A 59 -0.322 -12.492 3.797 1.00 0.00 H new ATOM 0 HA ASP A 59 2.138 -13.639 4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.013 -14.781 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.294 -14.261 2.115 1.00 0.00 H new ATOM 927 N SER A 60 2.109 -12.008 1.658 1.00 0.00 N ATOM 928 CA SER A 60 2.909 -11.512 0.558 1.00 0.00 C ATOM 929 C SER A 60 3.929 -10.483 1.046 1.00 0.00 C ATOM 930 O SER A 60 5.036 -10.392 0.513 1.00 0.00 O ATOM 931 CB SER A 60 1.990 -10.921 -0.503 1.00 0.00 C ATOM 932 OG SER A 60 1.157 -11.927 -1.060 1.00 0.00 O ATOM 0 H SER A 60 1.171 -11.611 1.705 1.00 0.00 H new ATOM 0 HA SER A 60 3.470 -12.337 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.376 -10.135 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.585 -10.457 -1.290 1.00 0.00 H new ATOM 0 HG SER A 60 0.394 -12.086 -0.466 1.00 0.00 H new ATOM 938 N PHE A 61 3.566 -9.726 2.076 1.00 0.00 N ATOM 939 CA PHE A 61 4.504 -8.809 2.709 1.00 0.00 C ATOM 940 C PHE A 61 5.566 -9.595 3.455 1.00 0.00 C ATOM 941 O PHE A 61 6.720 -9.184 3.542 1.00 0.00 O ATOM 942 CB PHE A 61 3.788 -7.857 3.664 1.00 0.00 C ATOM 943 CG PHE A 61 3.237 -6.627 3.001 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.359 -6.434 1.633 1.00 0.00 C ATOM 945 CD2 PHE A 61 2.606 -5.653 3.756 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.860 -5.296 1.032 1.00 0.00 C ATOM 947 CE2 PHE A 61 2.108 -4.513 3.162 1.00 0.00 C ATOM 948 CZ PHE A 61 2.234 -4.333 1.798 1.00 0.00 C ATOM 0 H PHE A 61 2.633 -9.730 2.488 1.00 0.00 H new ATOM 0 HA PHE A 61 4.976 -8.211 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.972 -8.392 4.150 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.482 -7.555 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.851 -7.183 1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.503 -5.788 4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.959 -5.159 -0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.619 -3.760 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.843 -3.441 1.332 1.00 0.00 H new ATOM 958 N GLN A 62 5.170 -10.743 3.976 1.00 0.00 N ATOM 959 CA GLN A 62 6.112 -11.638 4.613 1.00 0.00 C ATOM 960 C GLN A 62 7.105 -12.129 3.575 1.00 0.00 C ATOM 961 O GLN A 62 8.302 -12.232 3.835 1.00 0.00 O ATOM 962 CB GLN A 62 5.387 -12.818 5.260 1.00 0.00 C ATOM 963 CG GLN A 62 4.270 -12.400 6.198 1.00 0.00 C ATOM 964 CD GLN A 62 3.769 -13.538 7.062 1.00 0.00 C ATOM 965 OE1 GLN A 62 2.833 -14.253 6.696 1.00 0.00 O ATOM 966 NE2 GLN A 62 4.388 -13.716 8.217 1.00 0.00 N ATOM 0 H GLN A 62 4.205 -11.074 3.969 1.00 0.00 H new ATOM 0 HA GLN A 62 6.642 -11.102 5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.975 -13.454 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.109 -13.419 5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.624 -11.592 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.441 -12.002 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.158 -13.102 8.483 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.095 -14.467 8.842 1.00 0.00 H new ATOM 975 N GLN A 63 6.596 -12.387 2.376 1.00 0.00 N ATOM 976 CA GLN A 63 7.417 -12.858 1.274 1.00 0.00 C ATOM 977 C GLN A 63 8.358 -11.786 0.753 1.00 0.00 C ATOM 978 O GLN A 63 9.439 -12.106 0.294 1.00 0.00 O ATOM 979 CB GLN A 63 6.555 -13.366 0.132 1.00 0.00 C ATOM 980 CG GLN A 63 6.002 -14.751 0.368 1.00 0.00 C ATOM 981 CD GLN A 63 4.993 -15.135 -0.681 1.00 0.00 C ATOM 982 OE1 GLN A 63 5.332 -15.693 -1.726 1.00 0.00 O ATOM 983 NE2 GLN A 63 3.745 -14.849 -0.395 1.00 0.00 N ATOM 0 H GLN A 63 5.609 -12.276 2.144 1.00 0.00 H new ATOM 0 HA GLN A 63 8.020 -13.675 1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.727 -12.674 -0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.145 -13.370 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.818 -15.473 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.537 -14.794 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.517 -14.386 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.003 -15.090 -1.052 1.00 0.00 H new ATOM 992 N VAL A 64 7.967 -10.519 0.804 1.00 0.00 N ATOM 993 CA VAL A 64 8.878 -9.473 0.359 1.00 0.00 C ATOM 994 C VAL A 64 10.013 -9.302 1.367 1.00 0.00 C ATOM 995 O VAL A 64 11.114 -8.883 1.014 1.00 0.00 O ATOM 996 CB VAL A 64 8.182 -8.117 0.081 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.666 -7.459 1.346 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.135 -7.185 -0.648 1.00 0.00 C ATOM 0 H VAL A 64 7.058 -10.198 1.137 1.00 0.00 H new ATOM 0 HA VAL A 64 9.282 -9.801 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 64 7.315 -8.320 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.187 -6.512 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.941 -8.115 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.498 -7.276 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.638 -6.234 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.019 -7.015 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.432 -7.636 -1.595 1.00 0.00 H new ATOM 1008 N VAL A 65 9.751 -9.658 2.622 1.00 0.00 N ATOM 1009 CA VAL A 65 10.802 -9.706 3.628 1.00 0.00 C ATOM 1010 C VAL A 65 11.678 -10.935 3.380 1.00 0.00 C ATOM 1011 O VAL A 65 12.855 -10.963 3.734 1.00 0.00 O ATOM 1012 CB VAL A 65 10.224 -9.749 5.062 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.334 -9.799 6.103 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.322 -8.550 5.309 1.00 0.00 C ATOM 0 H VAL A 65 8.825 -9.916 2.963 1.00 0.00 H new ATOM 0 HA VAL A 65 11.397 -8.797 3.544 1.00 0.00 H new ATOM 0 HB VAL A 65 9.632 -10.659 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.896 -9.828 7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.940 -10.691 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.962 -8.913 6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.924 -8.597 6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.896 -7.632 5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.498 -8.561 4.595 1.00 0.00 H new ATOM 1024 N LYS A 66 11.093 -11.943 2.751 1.00 0.00 N ATOM 1025 CA LYS A 66 11.816 -13.150 2.385 1.00 0.00 C ATOM 1026 C LYS A 66 12.618 -12.924 1.099 1.00 0.00 C ATOM 1027 O LYS A 66 13.747 -13.388 0.963 1.00 0.00 O ATOM 1028 CB LYS A 66 10.827 -14.310 2.203 1.00 0.00 C ATOM 1029 CG LYS A 66 10.077 -14.668 3.476 1.00 0.00 C ATOM 1030 CD LYS A 66 9.047 -15.762 3.244 1.00 0.00 C ATOM 1031 CE LYS A 66 9.710 -17.077 2.872 1.00 0.00 C ATOM 1032 NZ LYS A 66 8.743 -18.201 2.884 1.00 0.00 N ATOM 0 H LYS A 66 10.109 -11.947 2.481 1.00 0.00 H new ATOM 0 HA LYS A 66 12.515 -13.401 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.107 -14.046 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.368 -15.188 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.788 -14.995 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.580 -13.780 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.448 -15.897 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.365 -15.459 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.157 -16.992 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.520 -17.286 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.231 -19.082 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.335 -18.298 3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.983 -18.013 2.199 1.00 0.00 H new ATOM 1046 N LEU A 67 12.022 -12.183 0.179 1.00 0.00 N ATOM 1047 CA LEU A 67 12.604 -11.921 -1.132 1.00 0.00 C ATOM 1048 C LEU A 67 13.354 -10.591 -1.164 1.00 0.00 C ATOM 1049 O LEU A 67 13.373 -9.931 -2.194 1.00 0.00 O ATOM 1050 CB LEU A 67 11.516 -11.929 -2.214 1.00 0.00 C ATOM 1051 CG LEU A 67 10.726 -13.235 -2.337 1.00 0.00 C ATOM 1052 CD1 LEU A 67 9.822 -13.201 -3.558 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.669 -14.427 -2.403 1.00 0.00 C ATOM 0 H LEU A 67 11.113 -11.742 0.320 1.00 0.00 H new ATOM 0 HA LEU A 67 13.321 -12.717 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.817 -11.118 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.981 -11.713 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 67 10.101 -13.341 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.269 -14.138 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.120 -12.372 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.427 -13.069 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.089 -15.346 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.322 -14.327 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.273 -14.464 -1.496 1.00 0.00 H new ATOM 1065 N LYS A 68 13.914 -10.196 -0.018 1.00 0.00 N ATOM 1066 CA LYS A 68 14.670 -8.936 0.133 1.00 0.00 C ATOM 1067 C LYS A 68 15.371 -8.492 -1.149 1.00 0.00 C ATOM 1068 O LYS A 68 16.343 -9.106 -1.591 1.00 0.00 O ATOM 1069 CB LYS A 68 15.718 -9.093 1.232 1.00 0.00 C ATOM 1070 CG LYS A 68 15.124 -9.300 2.606 1.00 0.00 C ATOM 1071 CD LYS A 68 16.185 -9.707 3.609 1.00 0.00 C ATOM 1072 CE LYS A 68 15.591 -9.871 4.991 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.589 -10.393 5.963 1.00 0.00 N ATOM 0 H LYS A 68 13.859 -10.741 0.842 1.00 0.00 H new ATOM 0 HA LYS A 68 13.939 -8.169 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.361 -9.940 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.351 -8.206 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.640 -8.381 2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.352 -10.068 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.648 -10.643 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.973 -8.955 3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.212 -8.911 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.741 -10.551 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.144 -10.492 6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.932 -11.321 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.389 -9.732 6.028 1.00 0.00 H new ATOM 1087 N GLY A 69 14.869 -7.414 -1.734 1.00 0.00 N ATOM 1088 CA GLY A 69 15.470 -6.869 -2.935 1.00 0.00 C ATOM 1089 C GLY A 69 14.625 -7.107 -4.168 1.00 0.00 C ATOM 1090 O GLY A 69 14.798 -6.434 -5.185 1.00 0.00 O ATOM 0 H GLY A 69 14.052 -6.905 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.624 -5.798 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.453 -7.317 -3.081 1.00 0.00 H new ATOM 1094 N GLN A 70 13.713 -8.064 -4.080 1.00 0.00 N ATOM 1095 CA GLN A 70 12.849 -8.403 -5.196 1.00 0.00 C ATOM 1096 C GLN A 70 11.524 -7.671 -5.090 1.00 0.00 C ATOM 1097 O GLN A 70 11.012 -7.453 -3.993 1.00 0.00 O ATOM 1098 CB GLN A 70 12.580 -9.906 -5.229 1.00 0.00 C ATOM 1099 CG GLN A 70 13.816 -10.757 -5.418 1.00 0.00 C ATOM 1100 CD GLN A 70 13.491 -12.230 -5.582 1.00 0.00 C ATOM 1101 OE1 GLN A 70 14.276 -13.096 -5.194 1.00 0.00 O ATOM 1102 NE2 GLN A 70 12.336 -12.525 -6.162 1.00 0.00 N ATOM 0 H GLN A 70 13.553 -8.621 -3.241 1.00 0.00 H new ATOM 0 HA GLN A 70 13.358 -8.102 -6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.093 -10.196 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.879 -10.120 -6.036 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.361 -10.409 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.476 -10.628 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.714 -11.777 -6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.069 -13.500 -6.301 1.00 0.00 H new ATOM 1111 N VAL A 71 10.981 -7.290 -6.235 1.00 0.00 N ATOM 1112 CA VAL A 71 9.651 -6.717 -6.286 1.00 0.00 C ATOM 1113 C VAL A 71 8.606 -7.824 -6.151 1.00 0.00 C ATOM 1114 O VAL A 71 8.529 -8.738 -6.974 1.00 0.00 O ATOM 1115 CB VAL A 71 9.425 -5.902 -7.587 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.751 -6.729 -8.828 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.000 -5.373 -7.655 1.00 0.00 C ATOM 0 H VAL A 71 11.443 -7.368 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 71 9.548 -6.023 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 71 10.107 -5.052 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.582 -6.127 -9.721 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.795 -7.041 -8.793 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.110 -7.610 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.866 -4.805 -8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.300 -6.209 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.811 -4.726 -6.799 1.00 0.00 H new ATOM 1127 N LEU A 72 7.832 -7.757 -5.083 1.00 0.00 N ATOM 1128 CA LEU A 72 6.808 -8.754 -4.821 1.00 0.00 C ATOM 1129 C LEU A 72 5.444 -8.169 -5.165 1.00 0.00 C ATOM 1130 O LEU A 72 4.998 -7.213 -4.535 1.00 0.00 O ATOM 1131 CB LEU A 72 6.863 -9.174 -3.342 1.00 0.00 C ATOM 1132 CG LEU A 72 6.230 -10.528 -2.993 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.715 -10.469 -3.087 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.780 -11.615 -3.901 1.00 0.00 C ATOM 0 H LEU A 72 7.893 -7.020 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 72 6.980 -9.637 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.908 -9.195 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.370 -8.403 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 72 6.489 -10.767 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.297 -11.443 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.336 -9.720 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.424 -10.202 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.323 -12.570 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.552 -11.372 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.860 -11.683 -3.773 1.00 0.00 H new ATOM 1146 N SER A 73 4.784 -8.730 -6.159 1.00 0.00 N ATOM 1147 CA SER A 73 3.498 -8.217 -6.591 1.00 0.00 C ATOM 1148 C SER A 73 2.359 -8.890 -5.829 1.00 0.00 C ATOM 1149 O SER A 73 2.219 -10.112 -5.853 1.00 0.00 O ATOM 1150 CB SER A 73 3.347 -8.439 -8.098 1.00 0.00 C ATOM 1151 OG SER A 73 3.816 -9.727 -8.467 1.00 0.00 O ATOM 0 H SER A 73 5.116 -9.540 -6.682 1.00 0.00 H new ATOM 0 HA SER A 73 3.450 -7.149 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.300 -8.333 -8.383 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.904 -7.675 -8.640 1.00 0.00 H new ATOM 0 HG SER A 73 3.516 -10.386 -7.806 1.00 0.00 H new ATOM 1157 N VAL A 74 1.561 -8.090 -5.138 1.00 0.00 N ATOM 1158 CA VAL A 74 0.379 -8.596 -4.454 1.00 0.00 C ATOM 1159 C VAL A 74 -0.849 -7.853 -4.909 1.00 0.00 C ATOM 1160 O VAL A 74 -0.891 -6.625 -4.929 1.00 0.00 O ATOM 1161 CB VAL A 74 0.517 -8.529 -2.911 1.00 0.00 C ATOM 1162 CG1 VAL A 74 1.008 -7.160 -2.459 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.801 -8.867 -2.232 1.00 0.00 C ATOM 0 H VAL A 74 1.710 -7.086 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 74 0.278 -9.648 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 74 1.259 -9.271 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.094 -7.145 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.983 -6.958 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.299 -6.396 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.677 -8.813 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.565 -8.156 -2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.107 -9.875 -2.512 1.00 0.00 H new ATOM 1173 N MET A 75 -1.836 -8.623 -5.301 1.00 0.00 N ATOM 1174 CA MET A 75 -3.051 -8.074 -5.840 1.00 0.00 C ATOM 1175 C MET A 75 -4.175 -8.218 -4.830 1.00 0.00 C ATOM 1176 O MET A 75 -4.420 -9.309 -4.317 1.00 0.00 O ATOM 1177 CB MET A 75 -3.415 -8.783 -7.136 1.00 0.00 C ATOM 1178 CG MET A 75 -4.385 -7.985 -7.966 1.00 0.00 C ATOM 1179 SD MET A 75 -5.166 -8.954 -9.272 1.00 0.00 S ATOM 1180 CE MET A 75 -6.186 -7.703 -10.053 1.00 0.00 C ATOM 0 H MET A 75 -1.817 -9.642 -5.255 1.00 0.00 H new ATOM 0 HA MET A 75 -2.900 -7.015 -6.051 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.510 -8.967 -7.714 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.850 -9.756 -6.907 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.157 -7.574 -7.316 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.862 -7.140 -8.413 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.138 -8.143 -10.350 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.366 -6.889 -9.350 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.675 -7.315 -10.934 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.851 -7.117 -4.552 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.890 -7.093 -3.534 1.00 0.00 C ATOM 1192 C PHE A 76 -6.789 -5.882 -3.731 1.00 0.00 C ATOM 1193 O PHE A 76 -6.578 -5.084 -4.648 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.264 -7.071 -2.133 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.477 -5.829 -1.830 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.233 -5.619 -2.401 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -4.986 -4.867 -0.975 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.513 -4.478 -2.123 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.270 -3.722 -0.691 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.031 -3.526 -1.266 1.00 0.00 C ATOM 0 H PHE A 76 -4.699 -6.223 -5.019 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.494 -7.996 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.056 -7.176 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.611 -7.937 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.822 -6.359 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.956 -5.014 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.544 -4.328 -2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.679 -2.981 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.468 -2.631 -1.047 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.797 -5.756 -2.883 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.728 -4.646 -2.969 1.00 0.00 C ATOM 1212 C ARG A 77 -8.513 -3.666 -1.818 1.00 0.00 C ATOM 1213 O ARG A 77 -8.585 -4.041 -0.648 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.168 -5.163 -2.957 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.477 -6.142 -4.078 1.00 0.00 C ATOM 1216 CD ARG A 77 -11.872 -6.739 -3.946 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.928 -5.733 -4.078 1.00 0.00 N ATOM 1218 CZ ARG A 77 -14.218 -5.971 -3.838 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.626 -7.192 -3.534 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -15.109 -4.996 -3.949 1.00 0.00 N ATOM 0 H ARG A 77 -7.990 -6.411 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.547 -4.120 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.362 -5.647 -2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.849 -4.315 -3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.390 -5.633 -5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.738 -6.943 -4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.009 -7.506 -4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.963 -7.231 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.661 -4.793 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.953 -7.957 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.614 -7.369 -3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.809 -4.059 -4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.095 -5.182 -3.765 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.257 -2.413 -2.165 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.013 -1.365 -1.181 1.00 0.00 C ATOM 1236 C PHE A 78 -9.288 -0.571 -0.956 1.00 0.00 C ATOM 1237 O PHE A 78 -10.020 -0.288 -1.908 1.00 0.00 O ATOM 1238 CB PHE A 78 -6.927 -0.423 -1.696 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.084 0.233 -0.635 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.611 1.201 0.208 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.746 -0.100 -0.504 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -5.820 1.817 1.162 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -3.950 0.516 0.439 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.487 1.475 1.273 1.00 0.00 C ATOM 0 H PHE A 78 -8.212 -2.094 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.692 -1.821 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.271 -0.983 -2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.400 0.356 -2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.651 1.477 0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.320 -0.853 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.244 2.563 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.907 0.248 0.524 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.865 1.958 2.012 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.562 -0.214 0.285 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.745 0.568 0.589 1.00 0.00 C ATOM 1256 C ARG A 79 -10.503 2.048 0.335 1.00 0.00 C ATOM 1257 O ARG A 79 -9.744 2.699 1.047 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.184 0.367 2.032 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.644 0.717 2.262 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.998 0.643 3.730 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.430 1.765 4.483 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.660 1.992 5.777 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.362 1.123 6.495 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -12.168 3.083 6.358 1.00 0.00 N ATOM 0 H ARG A 79 -8.986 -0.451 1.093 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.538 0.219 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.016 -0.672 2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.562 0.980 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.844 1.721 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.278 0.034 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.082 0.641 3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.632 -0.296 4.145 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.820 2.414 3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.728 0.278 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.535 1.301 7.484 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.615 3.745 5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.344 3.257 7.348 1.00 0.00 H new ATOM 1278 N SER A 80 -11.133 2.552 -0.706 1.00 0.00 N ATOM 1279 CA SER A 80 -11.145 3.977 -1.003 1.00 0.00 C ATOM 1280 C SER A 80 -11.901 4.766 0.075 1.00 0.00 C ATOM 1281 O SER A 80 -12.509 4.182 0.981 1.00 0.00 O ATOM 1282 CB SER A 80 -11.787 4.200 -2.366 1.00 0.00 C ATOM 1283 OG SER A 80 -12.987 3.450 -2.483 1.00 0.00 O ATOM 0 H SER A 80 -11.655 1.986 -1.375 1.00 0.00 H new ATOM 0 HA SER A 80 -10.117 4.339 -1.016 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.000 5.260 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.092 3.909 -3.153 1.00 0.00 H new ATOM 0 HG SER A 80 -13.215 3.344 -3.430 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.895 6.094 -0.052 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.490 6.981 0.947 1.00 0.00 C ATOM 1291 C LYS A 81 -14.016 6.920 0.899 1.00 0.00 C ATOM 1292 O LYS A 81 -14.695 7.449 1.778 1.00 0.00 O ATOM 1293 CB LYS A 81 -12.009 8.421 0.725 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.451 9.401 1.804 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.919 9.011 3.175 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.483 9.905 4.269 1.00 0.00 C ATOM 1297 NZ LYS A 81 -11.992 11.303 4.164 1.00 0.00 N ATOM 0 H LYS A 81 -11.480 6.582 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.170 6.646 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.920 8.424 0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.377 8.770 -0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.102 10.402 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.540 9.441 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.176 7.973 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.831 9.076 3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.572 9.900 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.211 9.499 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.376 11.866 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.953 11.310 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.303 11.713 3.260 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.551 6.251 -0.108 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.994 6.085 -0.225 1.00 0.00 C ATOM 1313 C ASN A 82 -16.366 4.678 0.234 1.00 0.00 C ATOM 1314 O ASN A 82 -17.496 4.225 0.056 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.467 6.348 -1.664 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.901 5.364 -2.668 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.490 4.317 -2.930 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.756 5.693 -3.245 1.00 0.00 N ATOM 0 H ASN A 82 -14.012 5.814 -0.856 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.496 6.814 0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -17.556 6.304 -1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.181 7.359 -1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.334 5.069 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.296 6.571 -3.002 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.376 4.004 0.825 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.549 2.693 1.441 1.00 0.00 C ATOM 1327 C GLN A 83 -15.862 1.611 0.419 1.00 0.00 C ATOM 1328 O GLN A 83 -16.692 0.733 0.651 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.607 2.740 2.547 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.071 3.260 3.875 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.546 4.682 3.801 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.286 5.642 4.002 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.256 4.825 3.520 1.00 0.00 N ATOM 0 H GLN A 83 -14.422 4.360 0.888 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.596 2.426 1.897 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.432 3.374 2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -17.013 1.739 2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.864 3.212 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.271 2.603 4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.675 4.002 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.846 5.758 3.465 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.176 1.679 -0.711 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.212 0.615 -1.691 1.00 0.00 C ATOM 1344 C GLU A 84 -13.842 0.006 -1.825 1.00 0.00 C ATOM 1345 O GLU A 84 -12.851 0.642 -1.506 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.656 1.120 -3.054 1.00 0.00 C ATOM 1347 CG GLU A 84 -17.152 1.162 -3.237 1.00 0.00 C ATOM 1348 CD GLU A 84 -17.806 -0.189 -3.032 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -17.558 -1.107 -3.843 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -18.581 -0.338 -2.067 1.00 0.00 O ATOM 0 H GLU A 84 -14.584 2.468 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.932 -0.127 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.254 2.121 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.224 0.481 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.579 1.878 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.381 1.523 -4.240 1.00 0.00 H new ATOM 1357 N TRP A 85 -13.780 -1.197 -2.345 1.00 0.00 N ATOM 1358 CA TRP A 85 -12.535 -1.929 -2.387 1.00 0.00 C ATOM 1359 C TRP A 85 -12.110 -2.149 -3.833 1.00 0.00 C ATOM 1360 O TRP A 85 -12.510 -3.132 -4.455 1.00 0.00 O ATOM 1361 CB TRP A 85 -12.715 -3.276 -1.686 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.478 -3.197 -0.398 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -14.836 -3.217 -0.252 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -12.936 -3.093 0.924 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.167 -3.123 1.074 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -14.022 -3.052 1.816 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.644 -3.033 1.440 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.855 -2.955 3.195 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.478 -2.935 2.809 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.578 -2.898 3.672 1.00 0.00 C ATOM 0 H TRP A 85 -14.578 -1.691 -2.745 1.00 0.00 H new ATOM 0 HA TRP A 85 -11.761 -1.356 -1.877 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -13.231 -3.959 -2.361 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -11.733 -3.705 -1.489 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.545 -3.295 -1.063 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.116 -3.108 1.447 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.787 -3.062 0.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.704 -2.926 3.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.480 -2.886 3.220 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -12.413 -2.823 4.737 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.308 -1.245 -4.377 1.00 0.00 N ATOM 1382 CA LEU A 86 -10.897 -1.372 -5.769 1.00 0.00 C ATOM 1383 C LEU A 86 -9.707 -2.300 -5.891 1.00 0.00 C ATOM 1384 O LEU A 86 -9.021 -2.582 -4.912 1.00 0.00 O ATOM 1385 CB LEU A 86 -10.605 -0.021 -6.464 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.782 1.057 -5.722 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -10.662 1.881 -4.809 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -8.612 0.469 -4.947 1.00 0.00 C ATOM 0 H LEU A 86 -10.935 -0.431 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.751 -1.800 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.088 -0.240 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.564 0.425 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.364 1.709 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.057 2.631 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.434 2.376 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.130 1.230 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.069 1.270 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.985 -0.237 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.943 -0.048 -5.635 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.459 -2.760 -7.095 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.416 -3.738 -7.322 1.00 0.00 C ATOM 1402 C TRP A 87 -7.099 -3.062 -7.620 1.00 0.00 C ATOM 1403 O TRP A 87 -6.986 -2.283 -8.564 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.782 -4.666 -8.471 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.837 -5.657 -8.113 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.179 -5.534 -8.317 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.633 -6.916 -7.470 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.823 -6.662 -7.863 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.893 -7.521 -7.332 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.503 -7.591 -7.002 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -11.053 -8.777 -6.748 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.661 -8.832 -6.420 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.930 -9.414 -6.295 1.00 0.00 C ATOM 0 H TRP A 87 -9.964 -2.474 -7.934 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.314 -4.326 -6.410 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.125 -4.069 -9.316 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.889 -5.198 -8.798 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.664 -4.680 -8.767 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.827 -6.832 -7.913 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.522 -7.149 -7.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.029 -9.231 -6.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -7.794 -9.363 -6.055 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -10.023 -10.385 -5.832 1.00 0.00 H new ATOM 1424 N MET A 88 -6.105 -3.351 -6.812 1.00 0.00 N ATOM 1425 CA MET A 88 -4.784 -2.825 -7.052 1.00 0.00 C ATOM 1426 C MET A 88 -3.738 -3.910 -6.880 1.00 0.00 C ATOM 1427 O MET A 88 -3.917 -4.850 -6.104 1.00 0.00 O ATOM 1428 CB MET A 88 -4.474 -1.647 -6.125 1.00 0.00 C ATOM 1429 CG MET A 88 -4.396 -2.006 -4.652 1.00 0.00 C ATOM 1430 SD MET A 88 -3.655 -0.688 -3.673 1.00 0.00 S ATOM 1431 CE MET A 88 -4.681 0.696 -4.145 1.00 0.00 C ATOM 0 H MET A 88 -6.187 -3.945 -5.987 1.00 0.00 H new ATOM 0 HA MET A 88 -4.756 -2.464 -8.080 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.526 -1.203 -6.428 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.241 -0.884 -6.260 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.398 -2.217 -4.277 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.812 -2.919 -4.532 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.642 1.460 -3.368 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.318 1.114 -5.084 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.710 0.360 -4.271 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.670 -3.788 -7.635 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.529 -4.661 -7.486 1.00 0.00 C ATOM 1443 C ARG A 89 -0.370 -3.844 -6.939 1.00 0.00 C ATOM 1444 O ARG A 89 0.140 -2.942 -7.607 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.151 -5.302 -8.823 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.122 -6.417 -8.695 1.00 0.00 C ATOM 1447 CD ARG A 89 0.501 -6.769 -10.036 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.496 -7.089 -11.053 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.283 -6.960 -12.363 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.903 -6.563 -12.807 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -1.251 -7.226 -13.229 1.00 0.00 N ATOM 0 H ARG A 89 -2.568 -3.084 -8.366 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.774 -5.469 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.050 -5.701 -9.292 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.759 -4.532 -9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.660 -6.111 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.596 -7.302 -8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.110 -5.933 -10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.171 -7.620 -9.909 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.406 -7.430 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.652 -6.356 -12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.066 -6.464 -13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.165 -7.531 -12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.082 -7.125 -14.230 1.00 0.00 H new ATOM 1465 N THR A 90 0.017 -4.141 -5.720 1.00 0.00 N ATOM 1466 CA THR A 90 1.057 -3.392 -5.053 1.00 0.00 C ATOM 1467 C THR A 90 2.413 -4.049 -5.258 1.00 0.00 C ATOM 1468 O THR A 90 2.567 -5.262 -5.101 1.00 0.00 O ATOM 1469 CB THR A 90 0.751 -3.269 -3.549 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.494 -2.582 -3.371 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.855 -2.525 -2.811 1.00 0.00 C ATOM 0 H THR A 90 -0.376 -4.902 -5.166 1.00 0.00 H new ATOM 0 HA THR A 90 1.088 -2.394 -5.489 1.00 0.00 H new ATOM 0 HB THR A 90 0.688 -4.274 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.322 -1.667 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.604 -2.458 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.796 -3.062 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.956 -1.521 -3.224 1.00 0.00 H new ATOM 1479 N SER A 91 3.383 -3.238 -5.641 1.00 0.00 N ATOM 1480 CA SER A 91 4.740 -3.697 -5.828 1.00 0.00 C ATOM 1481 C SER A 91 5.500 -3.550 -4.518 1.00 0.00 C ATOM 1482 O SER A 91 5.769 -2.436 -4.068 1.00 0.00 O ATOM 1483 CB SER A 91 5.410 -2.887 -6.940 1.00 0.00 C ATOM 1484 OG SER A 91 4.600 -2.882 -8.105 1.00 0.00 O ATOM 0 H SER A 91 3.248 -2.245 -5.830 1.00 0.00 H new ATOM 0 HA SER A 91 4.742 -4.747 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.579 -1.864 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.387 -3.312 -7.170 1.00 0.00 H new ATOM 0 HG SER A 91 5.040 -2.359 -8.807 1.00 0.00 H new ATOM 1490 N SER A 92 5.817 -4.675 -3.901 1.00 0.00 N ATOM 1491 CA SER A 92 6.441 -4.675 -2.594 1.00 0.00 C ATOM 1492 C SER A 92 7.954 -4.716 -2.729 1.00 0.00 C ATOM 1493 O SER A 92 8.499 -5.554 -3.447 1.00 0.00 O ATOM 1494 CB SER A 92 5.960 -5.882 -1.784 1.00 0.00 C ATOM 1495 OG SER A 92 4.548 -5.991 -1.835 1.00 0.00 O ATOM 0 H SER A 92 5.650 -5.604 -4.289 1.00 0.00 H new ATOM 0 HA SER A 92 6.159 -3.759 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.414 -6.793 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.285 -5.783 -0.748 1.00 0.00 H new ATOM 0 HG SER A 92 4.281 -6.384 -2.692 1.00 0.00 H new ATOM 1501 N PHE A 93 8.617 -3.792 -2.062 1.00 0.00 N ATOM 1502 CA PHE A 93 10.065 -3.794 -1.979 1.00 0.00 C ATOM 1503 C PHE A 93 10.489 -3.624 -0.529 1.00 0.00 C ATOM 1504 O PHE A 93 9.937 -2.796 0.190 1.00 0.00 O ATOM 1505 CB PHE A 93 10.646 -2.664 -2.836 1.00 0.00 C ATOM 1506 CG PHE A 93 12.133 -2.488 -2.690 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.013 -3.219 -3.470 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.647 -1.598 -1.760 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.380 -3.063 -3.328 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.011 -1.440 -1.610 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.879 -2.173 -2.396 1.00 0.00 C ATOM 0 H PHE A 93 8.170 -3.022 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 93 10.445 -4.744 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.415 -2.860 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.152 -1.729 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.628 -3.919 -4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.973 -1.021 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.057 -3.636 -3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.398 -0.745 -0.880 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.946 -2.051 -2.282 1.00 0.00 H new ATOM 1521 N THR A 94 11.449 -4.413 -0.093 1.00 0.00 N ATOM 1522 CA THR A 94 11.989 -4.268 1.242 1.00 0.00 C ATOM 1523 C THR A 94 13.354 -3.597 1.187 1.00 0.00 C ATOM 1524 O THR A 94 14.317 -4.162 0.668 1.00 0.00 O ATOM 1525 CB THR A 94 12.084 -5.627 1.944 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.550 -6.624 1.023 1.00 0.00 O ATOM 1527 CG2 THR A 94 10.738 -6.029 2.522 1.00 0.00 C ATOM 0 H THR A 94 11.871 -5.161 -0.644 1.00 0.00 H new ATOM 0 HA THR A 94 11.313 -3.638 1.820 1.00 0.00 H new ATOM 0 HB THR A 94 12.796 -5.544 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.026 -7.444 1.136 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.828 -6.997 3.016 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.415 -5.281 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.004 -6.098 1.720 1.00 0.00 H new ATOM 1535 N PHE A 95 13.430 -2.379 1.701 1.00 0.00 N ATOM 1536 CA PHE A 95 14.642 -1.589 1.578 1.00 0.00 C ATOM 1537 C PHE A 95 15.662 -1.981 2.634 1.00 0.00 C ATOM 1538 O PHE A 95 15.529 -1.635 3.813 1.00 0.00 O ATOM 1539 CB PHE A 95 14.320 -0.094 1.664 1.00 0.00 C ATOM 1540 CG PHE A 95 15.446 0.796 1.214 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.253 0.432 0.148 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.690 2.000 1.848 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.282 1.252 -0.276 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.719 2.824 1.433 1.00 0.00 C ATOM 1545 CZ PHE A 95 17.514 2.449 0.369 1.00 0.00 C ATOM 0 H PHE A 95 12.671 -1.920 2.204 1.00 0.00 H new ATOM 0 HA PHE A 95 15.079 -1.792 0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.440 0.114 1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.062 0.154 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.076 -0.505 -0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.068 2.301 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 95 17.902 0.956 -1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 95 16.901 3.760 1.940 1.00 0.00 H new ATOM 0 HZ PHE A 95 18.317 3.092 0.042 1.00 0.00 H new ATOM 1555 N GLN A 96 16.663 -2.740 2.207 1.00 0.00 N ATOM 1556 CA GLN A 96 17.780 -3.076 3.069 1.00 0.00 C ATOM 1557 C GLN A 96 18.694 -1.876 3.219 1.00 0.00 C ATOM 1558 O GLN A 96 19.282 -1.409 2.244 1.00 0.00 O ATOM 1559 CB GLN A 96 18.570 -4.266 2.520 1.00 0.00 C ATOM 1560 CG GLN A 96 17.844 -5.593 2.654 1.00 0.00 C ATOM 1561 CD GLN A 96 18.688 -6.767 2.196 1.00 0.00 C ATOM 1562 OE1 GLN A 96 18.661 -7.154 1.028 1.00 0.00 O ATOM 1563 NE2 GLN A 96 19.441 -7.341 3.120 1.00 0.00 N ATOM 0 H GLN A 96 16.721 -3.133 1.268 1.00 0.00 H new ATOM 0 HA GLN A 96 17.382 -3.356 4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.793 -4.089 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.525 -4.330 3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.555 -5.742 3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.925 -5.561 2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.433 -6.987 4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 96 20.030 -8.137 2.876 1.00 0.00 H new ATOM 1659 N ILE A 103 15.936 -4.346 7.114 1.00 0.00 N ATOM 1660 CA ILE A 103 14.845 -3.699 6.404 1.00 0.00 C ATOM 1661 C ILE A 103 14.359 -2.524 7.217 1.00 0.00 C ATOM 1662 O ILE A 103 13.687 -2.706 8.235 1.00 0.00 O ATOM 1663 CB ILE A 103 13.664 -4.657 6.152 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.147 -5.892 5.405 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.559 -3.956 5.372 1.00 0.00 C ATOM 1666 CD1 ILE A 103 14.803 -5.585 4.077 1.00 0.00 C ATOM 0 HA ILE A 103 15.224 -3.376 5.435 1.00 0.00 H new ATOM 0 HB ILE A 103 13.254 -4.966 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.856 -6.431 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.300 -6.557 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.735 -4.650 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.201 -3.098 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.949 -3.618 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.121 -6.515 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.091 -5.073 3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.671 -4.946 4.239 1.00 0.00 H new ATOM 1678 N GLU A 104 14.715 -1.323 6.793 1.00 0.00 N ATOM 1679 CA GLU A 104 14.301 -0.140 7.516 1.00 0.00 C ATOM 1680 C GLU A 104 12.801 0.052 7.392 1.00 0.00 C ATOM 1681 O GLU A 104 12.134 0.470 8.340 1.00 0.00 O ATOM 1682 CB GLU A 104 15.052 1.097 7.045 1.00 0.00 C ATOM 1683 CG GLU A 104 15.166 1.230 5.546 1.00 0.00 C ATOM 1684 CD GLU A 104 16.038 2.410 5.159 1.00 0.00 C ATOM 1685 OE1 GLU A 104 17.261 2.359 5.407 1.00 0.00 O ATOM 1686 OE2 GLU A 104 15.504 3.402 4.628 1.00 0.00 O ATOM 0 H GLU A 104 15.282 -1.146 5.964 1.00 0.00 H new ATOM 0 HA GLU A 104 14.548 -0.284 8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.551 1.982 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.055 1.082 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.585 0.314 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.173 1.352 5.114 1.00 0.00 H new ATOM 1693 N TYR A 105 12.285 -0.282 6.219 1.00 0.00 N ATOM 1694 CA TYR A 105 10.858 -0.225 5.949 1.00 0.00 C ATOM 1695 C TYR A 105 10.565 -0.790 4.564 1.00 0.00 C ATOM 1696 O TYR A 105 11.478 -1.155 3.818 1.00 0.00 O ATOM 1697 CB TYR A 105 10.321 1.215 6.057 1.00 0.00 C ATOM 1698 CG TYR A 105 11.048 2.233 5.198 1.00 0.00 C ATOM 1699 CD1 TYR A 105 10.856 2.281 3.823 1.00 0.00 C ATOM 1700 CD2 TYR A 105 11.923 3.150 5.768 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.517 3.208 3.041 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.584 4.081 4.992 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.380 4.104 3.628 1.00 0.00 C ATOM 1704 OH TYR A 105 13.045 5.023 2.850 1.00 0.00 O ATOM 0 H TYR A 105 12.845 -0.600 5.428 1.00 0.00 H new ATOM 0 HA TYR A 105 10.350 -0.829 6.701 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.266 1.216 5.782 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.379 1.532 7.098 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.178 1.581 3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.089 3.134 6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.357 3.229 1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.258 4.789 5.451 1.00 0.00 H new ATOM 0 HH TYR A 105 13.614 5.582 3.419 1.00 0.00 H new ATOM 1714 N ILE A 106 9.291 -0.859 4.237 1.00 0.00 N ATOM 1715 CA ILE A 106 8.843 -1.349 2.952 1.00 0.00 C ATOM 1716 C ILE A 106 8.528 -0.176 2.033 1.00 0.00 C ATOM 1717 O ILE A 106 7.961 0.828 2.470 1.00 0.00 O ATOM 1718 CB ILE A 106 7.577 -2.225 3.103 1.00 0.00 C ATOM 1719 CG1 ILE A 106 7.839 -3.384 4.068 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.119 -2.760 1.751 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.619 -4.244 4.324 1.00 0.00 C ATOM 0 H ILE A 106 8.534 -0.575 4.859 1.00 0.00 H new ATOM 0 HA ILE A 106 9.642 -1.955 2.525 1.00 0.00 H new ATOM 0 HB ILE A 106 6.782 -1.600 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.636 -4.009 3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.197 -2.983 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.227 -3.373 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.890 -1.926 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.912 -3.365 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.877 -5.045 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.827 -3.632 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.273 -4.674 3.384 1.00 0.00 H new ATOM 1733 N ILE A 107 8.865 -0.319 0.765 1.00 0.00 N ATOM 1734 CA ILE A 107 8.570 0.696 -0.231 1.00 0.00 C ATOM 1735 C ILE A 107 7.577 0.102 -1.213 1.00 0.00 C ATOM 1736 O ILE A 107 7.927 -0.784 -1.992 1.00 0.00 O ATOM 1737 CB ILE A 107 9.833 1.153 -0.995 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.876 1.699 -0.019 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.473 2.211 -2.032 1.00 0.00 C ATOM 1740 CD1 ILE A 107 12.188 2.084 -0.671 1.00 0.00 C ATOM 0 H ILE A 107 9.349 -1.138 0.397 1.00 0.00 H new ATOM 0 HA ILE A 107 8.165 1.574 0.273 1.00 0.00 H new ATOM 0 HB ILE A 107 10.257 0.291 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.463 2.572 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.069 0.948 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.373 2.523 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.759 1.795 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.029 3.073 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.874 2.462 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.625 1.209 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 107 12.010 2.858 -1.417 1.00 0.00 H new ATOM 1752 N CYS A 108 6.337 0.545 -1.149 1.00 0.00 N ATOM 1753 CA CYS A 108 5.295 -0.077 -1.940 1.00 0.00 C ATOM 1754 C CYS A 108 4.667 0.897 -2.922 1.00 0.00 C ATOM 1755 O CYS A 108 4.120 1.936 -2.537 1.00 0.00 O ATOM 1756 CB CYS A 108 4.226 -0.687 -1.030 1.00 0.00 C ATOM 1757 SG CYS A 108 3.536 0.450 0.194 1.00 0.00 S ATOM 0 H CYS A 108 6.029 1.323 -0.566 1.00 0.00 H new ATOM 0 HA CYS A 108 5.759 -0.872 -2.524 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.414 -1.067 -1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 108 4.657 -1.542 -0.509 1.00 0.00 H new ATOM 0 HG CYS A 108 3.582 -0.100 1.371 1.00 0.00 H new ATOM 1763 N THR A 109 4.779 0.565 -4.194 1.00 0.00 N ATOM 1764 CA THR A 109 4.078 1.286 -5.237 1.00 0.00 C ATOM 1765 C THR A 109 2.719 0.631 -5.447 1.00 0.00 C ATOM 1766 O THR A 109 2.624 -0.592 -5.526 1.00 0.00 O ATOM 1767 CB THR A 109 4.874 1.267 -6.555 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.241 1.618 -6.305 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.277 2.240 -7.560 1.00 0.00 C ATOM 0 H THR A 109 5.355 -0.207 -4.531 1.00 0.00 H new ATOM 0 HA THR A 109 3.958 2.326 -4.934 1.00 0.00 H new ATOM 0 HB THR A 109 4.824 0.260 -6.970 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.742 1.602 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.855 2.210 -8.483 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.245 1.959 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.303 3.249 -7.149 1.00 0.00 H new ATOM 1777 N ASN A 110 1.676 1.432 -5.549 1.00 0.00 N ATOM 1778 CA ASN A 110 0.322 0.901 -5.556 1.00 0.00 C ATOM 1779 C ASN A 110 -0.363 1.233 -6.867 1.00 0.00 C ATOM 1780 O ASN A 110 -0.655 2.395 -7.145 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.478 1.463 -4.378 1.00 0.00 C ATOM 1782 CG ASN A 110 0.129 1.087 -3.039 1.00 0.00 C ATOM 1783 OD1 ASN A 110 -0.202 0.057 -2.458 1.00 0.00 O ATOM 1784 ND2 ASN A 110 1.033 1.920 -2.542 1.00 0.00 N ATOM 0 H ASN A 110 1.737 2.447 -5.628 1.00 0.00 H new ATOM 0 HA ASN A 110 0.372 -0.183 -5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.527 2.549 -4.460 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.502 1.093 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 110 1.479 1.714 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 110 1.282 2.766 -3.054 1.00 0.00 H new ATOM 1791 N THR A 111 -0.613 0.210 -7.664 1.00 0.00 N ATOM 1792 CA THR A 111 -1.171 0.381 -8.986 1.00 0.00 C ATOM 1793 C THR A 111 -2.618 -0.076 -9.004 1.00 0.00 C ATOM 1794 O THR A 111 -2.911 -1.268 -8.898 1.00 0.00 O ATOM 1795 CB THR A 111 -0.364 -0.416 -10.030 1.00 0.00 C ATOM 1796 OG1 THR A 111 1.016 -0.026 -9.976 1.00 0.00 O ATOM 1797 CG2 THR A 111 -0.903 -0.185 -11.437 1.00 0.00 C ATOM 0 H THR A 111 -0.434 -0.761 -7.410 1.00 0.00 H new ATOM 0 HA THR A 111 -1.121 1.440 -9.241 1.00 0.00 H new ATOM 0 HB THR A 111 -0.459 -1.476 -9.795 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.198 0.633 -10.679 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.314 -0.760 -12.151 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.944 -0.504 -11.485 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.837 0.875 -11.682 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.511 0.880 -9.141 1.00 0.00 N ATOM 1806 CA ASN A 112 -4.936 0.610 -9.154 1.00 0.00 C ATOM 1807 C ASN A 112 -5.340 0.143 -10.547 1.00 0.00 C ATOM 1808 O ASN A 112 -5.320 0.919 -11.504 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.677 1.882 -8.750 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.186 1.827 -8.957 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.811 2.830 -9.291 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.791 0.671 -8.728 1.00 0.00 N ATOM 0 H ASN A 112 -3.272 1.866 -9.247 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.192 -0.178 -8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.474 2.087 -7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.275 2.719 -9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.803 0.597 -8.828 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.244 -0.145 -8.452 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.679 -1.133 -10.651 1.00 0.00 N ATOM 1820 CA VAL A 113 -5.999 -1.746 -11.930 1.00 0.00 C ATOM 1821 C VAL A 113 -7.448 -1.462 -12.297 1.00 0.00 C ATOM 1822 O VAL A 113 -7.761 -0.412 -12.853 1.00 0.00 O ATOM 1823 CB VAL A 113 -5.756 -3.272 -11.894 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -5.966 -3.887 -13.267 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.358 -3.585 -11.377 1.00 0.00 C ATOM 0 H VAL A 113 -5.740 -1.769 -9.856 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.343 -1.313 -12.685 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.481 -3.711 -11.209 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.789 -4.961 -13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.989 -3.703 -13.595 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.271 -3.439 -13.977 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.210 -4.665 -11.360 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.617 -3.127 -12.032 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.246 -3.188 -10.368 1.00 0.00 H new