USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 995 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 113 LYS NZ :NH3+ -145:sc= -6.77! (180deg=-8.73!) USER MOD Set 1.2: A 122 GLN :FLIP amide:sc= 0 F(o=-8.5,f=-6.8) USER MOD Set 2.1: A 94 SER OG : rot -131:sc= 0.168 USER MOD Set 2.2: A 97 HIS :FLIP no HD1:sc= -3.05 F(o=-5.4!,f=-2.9) USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.0069 USER MOD Set 3.2: A 75 ASN : amide:sc= -0.0162 X(o=-0.0093,f=-0.15) USER MOD Set 4.1: A 56 THR OG1 : rot -170:sc= 0.111 USER MOD Set 4.2: A 58 GLN : amide:sc= -0.261 K(o=-0.15,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -178:sc= -2.45 USER MOD Single : A 12 SER OG : rot -130:sc= -1.49 USER MOD Single : A 13 ASN : amide:sc= -2.5 K(o=-2.5,f=-7!) USER MOD Single : A 16 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-4.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -4.61! C(o=-4.6!,f=-4.6!) USER MOD Single : A 38 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.091) USER MOD Single : A 40 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.94) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 152:sc= 1.12 USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00751 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -157:sc= -0.0784 (180deg=-0.568) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00825 USER MOD Single : A 69 TYR OH : rot -166:sc= 0.457 USER MOD Single : A 71 SER OG : rot -111:sc= 0.899 USER MOD Single : A 72 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.7!) USER MOD Single : A 78 CYS SG : rot 60:sc= -1.74 USER MOD Single : A 87 ASN :FLIP amide:sc= 0.199 F(o=-0.51,f=0.2) USER MOD Single : A 88 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.48) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.82 USER MOD Single : A 90 ASN : amide:sc= -0.361 K(o=-0.36,f=-4.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.2) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN :FLIP amide:sc= 0.716 F(o=-0.24,f=0.72) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 97:sc= 0.136 USER MOD Single : A 118 THR OG1 : rot -84:sc= 0.801 USER MOD Single : A 119 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 9.420 -7.884 1.702 1.00 0.00 N ATOM 98 CA PRO A 6 9.015 -6.690 0.981 1.00 0.00 C ATOM 99 C PRO A 6 8.182 -7.050 -0.251 1.00 0.00 C ATOM 100 O PRO A 6 8.240 -8.178 -0.737 1.00 0.00 O ATOM 101 CB PRO A 6 10.314 -5.981 0.633 1.00 0.00 C ATOM 102 CG PRO A 6 11.408 -7.028 0.761 1.00 0.00 C ATOM 103 CD PRO A 6 10.827 -8.220 1.505 1.00 0.00 C ATOM 0 HA PRO A 6 8.368 -6.041 1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.279 -5.575 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.494 -5.143 1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.765 -7.330 -0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.264 -6.622 1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.938 -9.139 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.334 -8.378 2.457 1.00 0.00 H new ATOM 111 N LYS A 7 7.425 -6.068 -0.721 1.00 0.00 N ATOM 112 CA LYS A 7 6.581 -6.267 -1.887 1.00 0.00 C ATOM 113 C LYS A 7 6.583 -4.994 -2.736 1.00 0.00 C ATOM 114 O LYS A 7 6.823 -3.902 -2.223 1.00 0.00 O ATOM 115 CB LYS A 7 5.183 -6.723 -1.465 1.00 0.00 C ATOM 116 CG LYS A 7 5.119 -8.246 -1.333 1.00 0.00 C ATOM 117 CD LYS A 7 3.762 -8.780 -1.796 1.00 0.00 C ATOM 118 CE LYS A 7 2.738 -8.734 -0.659 1.00 0.00 C ATOM 119 NZ LYS A 7 1.608 -9.647 -0.942 1.00 0.00 N ATOM 0 H LYS A 7 7.379 -5.133 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 7 6.977 -7.068 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.917 -6.261 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.450 -6.387 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.914 -8.700 -1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.292 -8.532 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.403 -8.189 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.872 -9.805 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.215 -9.016 0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.369 -7.716 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.923 -9.604 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.143 -9.360 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.963 -10.620 -1.037 1.00 0.00 H new ATOM 133 N LEU A 8 6.313 -5.177 -4.020 1.00 0.00 N ATOM 134 CA LEU A 8 6.280 -4.057 -4.945 1.00 0.00 C ATOM 135 C LEU A 8 4.825 -3.702 -5.258 1.00 0.00 C ATOM 136 O LEU A 8 3.988 -4.588 -5.423 1.00 0.00 O ATOM 137 CB LEU A 8 7.119 -4.363 -6.187 1.00 0.00 C ATOM 138 CG LEU A 8 8.480 -5.014 -5.933 1.00 0.00 C ATOM 139 CD1 LEU A 8 8.803 -6.048 -7.014 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.579 -3.957 -5.804 1.00 0.00 C ATOM 0 H LEU A 8 6.115 -6.084 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 8 6.733 -3.175 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.541 -5.018 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.279 -3.432 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 8 8.432 -5.545 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.776 -6.496 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.039 -6.825 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.825 -5.561 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.536 -4.447 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.636 -3.377 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.349 -3.293 -4.971 1.00 0.00 H new ATOM 152 N LEU A 9 4.569 -2.404 -5.330 1.00 0.00 N ATOM 153 CA LEU A 9 3.229 -1.921 -5.620 1.00 0.00 C ATOM 154 C LEU A 9 3.076 -1.734 -7.131 1.00 0.00 C ATOM 155 O LEU A 9 3.744 -0.891 -7.727 1.00 0.00 O ATOM 156 CB LEU A 9 2.928 -0.658 -4.810 1.00 0.00 C ATOM 157 CG LEU A 9 3.042 -0.792 -3.291 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.199 -1.962 -2.779 1.00 0.00 C ATOM 159 CD2 LEU A 9 4.505 -0.908 -2.858 1.00 0.00 C ATOM 0 H LEU A 9 5.266 -1.672 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 9 2.484 -2.654 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.607 0.130 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.917 -0.328 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 9 2.643 0.116 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.298 -2.035 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.153 -1.797 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.545 -2.888 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.557 -1.002 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.953 -1.788 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.049 -0.017 -3.171 1.00 0.00 H new ATOM 171 N TYR A 10 2.191 -2.535 -7.707 1.00 0.00 N ATOM 172 CA TYR A 10 1.941 -2.469 -9.136 1.00 0.00 C ATOM 173 C TYR A 10 0.923 -1.375 -9.465 1.00 0.00 C ATOM 174 O TYR A 10 -0.042 -1.177 -8.727 1.00 0.00 O ATOM 175 CB TYR A 10 1.355 -3.827 -9.525 1.00 0.00 C ATOM 176 CG TYR A 10 1.318 -4.080 -11.034 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.473 -3.969 -11.781 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.129 -4.419 -11.648 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.438 -4.206 -13.201 1.00 0.00 C ATOM 180 CE2 TYR A 10 0.094 -4.657 -13.067 1.00 0.00 C ATOM 181 CZ TYR A 10 1.250 -4.539 -13.774 1.00 0.00 C ATOM 182 OH TYR A 10 1.217 -4.763 -15.115 1.00 0.00 O ATOM 0 H TYR A 10 1.638 -3.233 -7.209 1.00 0.00 H new ATOM 0 HA TYR A 10 2.860 -2.240 -9.676 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.941 -4.614 -9.049 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.342 -3.901 -9.130 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.403 -3.704 -11.301 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.775 -4.506 -11.064 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.334 -4.121 -13.797 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.830 -4.923 -13.559 1.00 0.00 H new ATOM 0 HH TYR A 10 0.304 -4.993 -15.386 1.00 0.00 H new ATOM 192 N CYS A 11 1.172 -0.692 -10.573 1.00 0.00 N ATOM 193 CA CYS A 11 0.289 0.376 -11.008 1.00 0.00 C ATOM 194 C CYS A 11 -0.325 -0.024 -12.351 1.00 0.00 C ATOM 195 O CYS A 11 0.011 0.547 -13.387 1.00 0.00 O ATOM 196 CB CYS A 11 1.022 1.717 -11.093 1.00 0.00 C ATOM 197 SG CYS A 11 -0.055 2.971 -11.879 1.00 0.00 S ATOM 0 H CYS A 11 1.973 -0.858 -11.182 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.505 0.516 -10.274 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.310 2.047 -10.095 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.941 1.603 -11.668 1.00 0.00 H new ATOM 0 HG CYS A 11 0.592 4.094 -11.985 1.00 0.00 H new ATOM 203 N SER A 12 -1.215 -1.004 -12.289 1.00 0.00 N ATOM 204 CA SER A 12 -1.879 -1.488 -13.488 1.00 0.00 C ATOM 205 C SER A 12 -2.139 -0.325 -14.448 1.00 0.00 C ATOM 206 O SER A 12 -2.062 -0.491 -15.664 1.00 0.00 O ATOM 207 CB SER A 12 -3.191 -2.195 -13.143 1.00 0.00 C ATOM 208 OG SER A 12 -3.937 -1.486 -12.157 1.00 0.00 O ATOM 0 H SER A 12 -1.492 -1.476 -11.428 1.00 0.00 H new ATOM 0 HA SER A 12 -1.224 -2.212 -13.973 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.793 -2.302 -14.045 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.977 -3.201 -12.782 1.00 0.00 H new ATOM 0 HG SER A 12 -4.203 -2.102 -11.443 1.00 0.00 H new ATOM 214 N ASN A 13 -2.442 0.825 -13.864 1.00 0.00 N ATOM 215 CA ASN A 13 -2.714 2.015 -14.653 1.00 0.00 C ATOM 216 C ASN A 13 -1.702 2.106 -15.797 1.00 0.00 C ATOM 217 O ASN A 13 -2.079 2.315 -16.949 1.00 0.00 O ATOM 218 CB ASN A 13 -2.581 3.281 -13.804 1.00 0.00 C ATOM 219 CG ASN A 13 -3.588 4.345 -14.245 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.589 4.063 -14.883 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.268 5.581 -13.871 1.00 0.00 N ATOM 0 H ASN A 13 -2.505 0.958 -12.855 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.733 1.941 -15.034 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.741 3.037 -12.754 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.569 3.676 -13.889 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.876 6.362 -14.117 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.415 5.748 -13.338 1.00 0.00 H new ATOM 228 N GLY A 14 -0.436 1.944 -15.439 1.00 0.00 N ATOM 229 CA GLY A 14 0.632 2.005 -16.422 1.00 0.00 C ATOM 230 C GLY A 14 1.488 0.737 -16.381 1.00 0.00 C ATOM 231 O GLY A 14 1.918 0.240 -17.421 1.00 0.00 O ATOM 0 H GLY A 14 -0.127 1.771 -14.483 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.208 2.129 -17.418 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.258 2.877 -16.231 1.00 0.00 H new ATOM 235 N GLY A 15 1.709 0.250 -15.169 1.00 0.00 N ATOM 236 CA GLY A 15 2.505 -0.951 -14.979 1.00 0.00 C ATOM 237 C GLY A 15 3.910 -0.604 -14.481 1.00 0.00 C ATOM 238 O GLY A 15 4.901 -0.937 -15.129 1.00 0.00 O ATOM 0 H GLY A 15 1.351 0.665 -14.309 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.013 -1.608 -14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.573 -1.499 -15.919 1.00 0.00 H new ATOM 242 N HIS A 16 3.951 0.061 -13.336 1.00 0.00 N ATOM 243 CA HIS A 16 5.217 0.456 -12.744 1.00 0.00 C ATOM 244 C HIS A 16 5.199 0.156 -11.244 1.00 0.00 C ATOM 245 O HIS A 16 4.144 -0.120 -10.675 1.00 0.00 O ATOM 246 CB HIS A 16 5.526 1.923 -13.052 1.00 0.00 C ATOM 247 CG HIS A 16 5.496 2.261 -14.524 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.349 2.167 -15.291 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.484 2.694 -15.359 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.644 2.528 -16.531 1.00 0.00 C ATOM 251 NE2 HIS A 16 5.968 2.854 -16.571 1.00 0.00 N ATOM 0 H HIS A 16 3.127 0.336 -12.802 1.00 0.00 H new ATOM 0 HA HIS A 16 6.026 -0.126 -13.185 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.805 2.553 -12.530 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.511 2.168 -12.653 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.512 2.876 -15.081 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.957 2.559 -17.364 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.477 3.169 -17.397 1.00 0.00 H new ATOM 259 N PHE A 17 6.380 0.221 -10.646 1.00 0.00 N ATOM 260 CA PHE A 17 6.513 -0.040 -9.223 1.00 0.00 C ATOM 261 C PHE A 17 6.852 1.242 -8.460 1.00 0.00 C ATOM 262 O PHE A 17 7.615 2.075 -8.946 1.00 0.00 O ATOM 263 CB PHE A 17 7.661 -1.037 -9.057 1.00 0.00 C ATOM 264 CG PHE A 17 7.328 -2.454 -9.527 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.104 -2.987 -9.266 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.255 -3.181 -10.207 1.00 0.00 C ATOM 267 CE1 PHE A 17 5.795 -4.303 -9.703 1.00 0.00 C ATOM 268 CE2 PHE A 17 7.946 -4.496 -10.644 1.00 0.00 C ATOM 269 CZ PHE A 17 6.722 -5.029 -10.383 1.00 0.00 C ATOM 0 H PHE A 17 7.253 0.451 -11.121 1.00 0.00 H new ATOM 0 HA PHE A 17 5.575 -0.429 -8.827 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.526 -0.675 -9.613 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.949 -1.072 -8.006 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.367 -2.410 -8.727 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.227 -2.758 -10.415 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.824 -4.727 -9.495 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.683 -5.073 -11.183 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.486 -6.029 -10.716 1.00 0.00 H new ATOM 279 N LEU A 18 6.268 1.360 -7.276 1.00 0.00 N ATOM 280 CA LEU A 18 6.499 2.526 -6.441 1.00 0.00 C ATOM 281 C LEU A 18 7.854 2.389 -5.743 1.00 0.00 C ATOM 282 O LEU A 18 8.041 1.501 -4.912 1.00 0.00 O ATOM 283 CB LEU A 18 5.329 2.735 -5.477 1.00 0.00 C ATOM 284 CG LEU A 18 5.122 4.165 -4.973 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.615 5.073 -6.095 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.197 4.188 -3.755 1.00 0.00 C ATOM 0 H LEU A 18 5.635 0.667 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 18 6.545 3.428 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.414 2.409 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.474 2.084 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 18 6.087 4.558 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.476 6.083 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.343 5.090 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.664 4.693 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.066 5.216 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.228 3.769 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.637 3.595 -2.953 1.00 0.00 H new ATOM 298 N ARG A 19 8.764 3.280 -6.107 1.00 0.00 N ATOM 299 CA ARG A 19 10.096 3.269 -5.526 1.00 0.00 C ATOM 300 C ARG A 19 10.353 4.570 -4.763 1.00 0.00 C ATOM 301 O ARG A 19 9.749 5.599 -5.062 1.00 0.00 O ATOM 302 CB ARG A 19 11.166 3.100 -6.606 1.00 0.00 C ATOM 303 CG ARG A 19 11.539 4.449 -7.225 1.00 0.00 C ATOM 304 CD ARG A 19 12.236 4.259 -8.574 1.00 0.00 C ATOM 305 NE ARG A 19 13.700 4.160 -8.377 1.00 0.00 N ATOM 306 CZ ARG A 19 14.601 4.285 -9.361 1.00 0.00 C ATOM 307 NH1 ARG A 19 14.193 4.515 -10.616 1.00 0.00 N ATOM 308 NH2 ARG A 19 15.909 4.180 -9.089 1.00 0.00 N ATOM 0 H ARG A 19 8.605 4.014 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 19 10.151 2.424 -4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.053 2.636 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.801 2.428 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.641 5.053 -7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.194 4.996 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.864 3.357 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.005 5.096 -9.233 1.00 0.00 H new ATOM 0 HE ARG A 19 14.044 3.986 -7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.197 4.595 -10.822 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.878 4.610 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.219 4.005 -8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.595 4.275 -9.838 1.00 0.00 H new ATOM 322 N ILE A 20 11.249 4.482 -3.791 1.00 0.00 N ATOM 323 CA ILE A 20 11.593 5.639 -2.983 1.00 0.00 C ATOM 324 C ILE A 20 13.105 5.868 -3.045 1.00 0.00 C ATOM 325 O ILE A 20 13.883 5.020 -2.610 1.00 0.00 O ATOM 326 CB ILE A 20 11.054 5.478 -1.560 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.631 4.915 -1.574 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.141 6.797 -0.788 1.00 0.00 C ATOM 329 CD1 ILE A 20 9.027 4.917 -0.168 1.00 0.00 C ATOM 0 H ILE A 20 11.747 3.627 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 20 11.117 6.536 -3.380 1.00 0.00 H new ATOM 0 HB ILE A 20 11.681 4.757 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.008 5.509 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.642 3.899 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.752 6.655 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.181 7.119 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.552 7.558 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.016 4.512 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.639 4.303 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.995 5.938 0.213 1.00 0.00 H new ATOM 341 N LEU A 21 13.475 7.018 -3.589 1.00 0.00 N ATOM 342 CA LEU A 21 14.880 7.369 -3.713 1.00 0.00 C ATOM 343 C LEU A 21 15.377 7.944 -2.385 1.00 0.00 C ATOM 344 O LEU A 21 14.584 8.427 -1.578 1.00 0.00 O ATOM 345 CB LEU A 21 15.095 8.303 -4.906 1.00 0.00 C ATOM 346 CG LEU A 21 14.414 7.889 -6.213 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.598 8.960 -7.290 1.00 0.00 C ATOM 348 CD2 LEU A 21 14.908 6.518 -6.678 1.00 0.00 C ATOM 0 H LEU A 21 12.827 7.719 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 21 15.478 6.481 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.740 9.297 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.166 8.387 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 21 13.344 7.800 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.105 8.641 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.159 9.898 -6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.661 9.105 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.409 6.248 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.985 6.556 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.683 5.772 -5.915 1.00 0.00 H new ATOM 360 N PRO A 22 16.721 7.870 -2.195 1.00 0.00 N ATOM 361 CA PRO A 22 17.334 8.377 -0.979 1.00 0.00 C ATOM 362 C PRO A 22 17.384 9.906 -0.986 1.00 0.00 C ATOM 363 O PRO A 22 17.846 10.520 -0.026 1.00 0.00 O ATOM 364 CB PRO A 22 18.712 7.737 -0.936 1.00 0.00 C ATOM 365 CG PRO A 22 18.998 7.268 -2.354 1.00 0.00 C ATOM 366 CD PRO A 22 17.691 7.304 -3.129 1.00 0.00 C ATOM 0 HA PRO A 22 16.765 8.125 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.464 8.451 -0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.733 6.901 -0.236 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.740 7.912 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.410 6.259 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.780 7.916 -4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.394 6.306 -3.451 1.00 0.00 H new ATOM 374 N ASP A 23 16.902 10.477 -2.080 1.00 0.00 N ATOM 375 CA ASP A 23 16.886 11.922 -2.225 1.00 0.00 C ATOM 376 C ASP A 23 15.497 12.452 -1.860 1.00 0.00 C ATOM 377 O ASP A 23 15.218 13.638 -2.028 1.00 0.00 O ATOM 378 CB ASP A 23 17.184 12.334 -3.668 1.00 0.00 C ATOM 379 CG ASP A 23 18.538 13.014 -3.880 1.00 0.00 C ATOM 380 OD1 ASP A 23 19.102 13.482 -2.867 1.00 0.00 O ATOM 381 OD2 ASP A 23 18.979 13.050 -5.049 1.00 0.00 O ATOM 0 H ASP A 23 16.519 9.964 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 23 17.650 12.335 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.137 11.447 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.398 13.009 -4.007 1.00 0.00 H new ATOM 386 N GLY A 24 14.665 11.547 -1.367 1.00 0.00 N ATOM 387 CA GLY A 24 13.313 11.908 -0.976 1.00 0.00 C ATOM 388 C GLY A 24 12.415 12.079 -2.203 1.00 0.00 C ATOM 389 O GLY A 24 11.600 12.999 -2.257 1.00 0.00 O ATOM 0 H GLY A 24 14.901 10.564 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.901 11.138 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.332 12.835 -0.402 1.00 0.00 H new ATOM 393 N THR A 25 12.594 11.178 -3.158 1.00 0.00 N ATOM 394 CA THR A 25 11.810 11.217 -4.381 1.00 0.00 C ATOM 395 C THR A 25 11.057 9.900 -4.575 1.00 0.00 C ATOM 396 O THR A 25 11.551 8.838 -4.198 1.00 0.00 O ATOM 397 CB THR A 25 12.754 11.554 -5.537 1.00 0.00 C ATOM 398 OG1 THR A 25 12.922 12.966 -5.449 1.00 0.00 O ATOM 399 CG2 THR A 25 12.103 11.340 -6.905 1.00 0.00 C ATOM 0 H THR A 25 13.271 10.416 -3.110 1.00 0.00 H new ATOM 0 HA THR A 25 11.042 11.989 -4.334 1.00 0.00 H new ATOM 0 HB THR A 25 13.652 10.941 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.522 13.269 -6.162 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.815 11.593 -7.690 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.806 10.296 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.223 11.978 -6.993 1.00 0.00 H new ATOM 407 N VAL A 26 9.875 10.011 -5.162 1.00 0.00 N ATOM 408 CA VAL A 26 9.049 8.842 -5.410 1.00 0.00 C ATOM 409 C VAL A 26 8.597 8.843 -6.871 1.00 0.00 C ATOM 410 O VAL A 26 7.946 9.785 -7.323 1.00 0.00 O ATOM 411 CB VAL A 26 7.881 8.807 -4.422 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.322 7.390 -4.284 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.296 9.369 -3.061 1.00 0.00 C ATOM 0 H VAL A 26 9.469 10.893 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 26 9.621 7.929 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 26 7.089 9.442 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.493 7.393 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.969 7.042 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.105 6.724 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.447 9.332 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.114 8.774 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.623 10.402 -3.178 1.00 0.00 H new ATOM 423 N ASP A 27 8.959 7.778 -7.571 1.00 0.00 N ATOM 424 CA ASP A 27 8.599 7.644 -8.972 1.00 0.00 C ATOM 425 C ASP A 27 8.319 6.173 -9.284 1.00 0.00 C ATOM 426 O ASP A 27 8.723 5.288 -8.532 1.00 0.00 O ATOM 427 CB ASP A 27 9.737 8.113 -9.881 1.00 0.00 C ATOM 428 CG ASP A 27 10.720 9.090 -9.234 1.00 0.00 C ATOM 429 OD1 ASP A 27 10.414 10.302 -9.258 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.756 8.604 -8.731 1.00 0.00 O ATOM 0 H ASP A 27 9.499 6.999 -7.193 1.00 0.00 H new ATOM 0 HA ASP A 27 7.717 8.258 -9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.290 7.239 -10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.306 8.586 -10.763 1.00 0.00 H new ATOM 435 N GLY A 28 7.631 5.957 -10.396 1.00 0.00 N ATOM 436 CA GLY A 28 7.293 4.608 -10.817 1.00 0.00 C ATOM 437 C GLY A 28 8.377 4.031 -11.729 1.00 0.00 C ATOM 438 O GLY A 28 8.897 4.728 -12.598 1.00 0.00 O ATOM 0 H GLY A 28 7.299 6.694 -11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.171 3.970 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.337 4.615 -11.341 1.00 0.00 H new ATOM 442 N THR A 29 8.684 2.763 -11.500 1.00 0.00 N ATOM 443 CA THR A 29 9.697 2.084 -12.290 1.00 0.00 C ATOM 444 C THR A 29 9.264 0.647 -12.590 1.00 0.00 C ATOM 445 O THR A 29 8.619 0.004 -11.764 1.00 0.00 O ATOM 446 CB THR A 29 11.025 2.173 -11.535 1.00 0.00 C ATOM 447 OG1 THR A 29 12.012 2.026 -12.552 1.00 0.00 O ATOM 448 CG2 THR A 29 11.257 0.974 -10.614 1.00 0.00 C ATOM 0 H THR A 29 8.249 2.188 -10.779 1.00 0.00 H new ATOM 0 HA THR A 29 9.827 2.561 -13.261 1.00 0.00 H new ATOM 0 HB THR A 29 11.048 3.091 -10.947 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.905 2.073 -12.151 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.213 1.088 -10.103 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.455 0.921 -9.877 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.268 0.058 -11.205 1.00 0.00 H new ATOM 456 N ARG A 30 9.638 0.186 -13.775 1.00 0.00 N ATOM 457 CA ARG A 30 9.297 -1.163 -14.194 1.00 0.00 C ATOM 458 C ARG A 30 10.567 -1.984 -14.425 1.00 0.00 C ATOM 459 O ARG A 30 10.620 -2.809 -15.336 1.00 0.00 O ATOM 460 CB ARG A 30 8.467 -1.147 -15.480 1.00 0.00 C ATOM 461 CG ARG A 30 8.717 0.135 -16.277 1.00 0.00 C ATOM 462 CD ARG A 30 8.180 0.006 -17.704 1.00 0.00 C ATOM 463 NE ARG A 30 8.920 0.916 -18.607 1.00 0.00 N ATOM 464 CZ ARG A 30 10.130 0.647 -19.117 1.00 0.00 C ATOM 465 NH1 ARG A 30 10.744 -0.505 -18.815 1.00 0.00 N ATOM 466 NH2 ARG A 30 10.726 1.532 -19.928 1.00 0.00 N ATOM 0 H ARG A 30 10.173 0.722 -14.458 1.00 0.00 H new ATOM 0 HA ARG A 30 8.706 -1.618 -13.399 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.719 -2.014 -16.091 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.408 -1.227 -15.235 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.237 0.977 -15.778 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.786 0.348 -16.304 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.282 -1.023 -18.048 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.117 0.245 -17.724 1.00 0.00 H new ATOM 0 HE ARG A 30 8.482 1.803 -18.857 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.291 -1.178 -18.197 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.665 -0.709 -19.203 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.259 2.409 -20.157 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.647 1.328 -20.317 1.00 0.00 H new ATOM 480 N ASP A 31 11.559 -1.730 -13.584 1.00 0.00 N ATOM 481 CA ASP A 31 12.825 -2.436 -13.685 1.00 0.00 C ATOM 482 C ASP A 31 13.104 -3.164 -12.369 1.00 0.00 C ATOM 483 O ASP A 31 13.766 -2.623 -11.485 1.00 0.00 O ATOM 484 CB ASP A 31 13.978 -1.464 -13.942 1.00 0.00 C ATOM 485 CG ASP A 31 15.124 -2.028 -14.784 1.00 0.00 C ATOM 486 OD1 ASP A 31 15.426 -3.227 -14.601 1.00 0.00 O ATOM 487 OD2 ASP A 31 15.673 -1.247 -15.591 1.00 0.00 O ATOM 0 H ASP A 31 11.512 -1.045 -12.830 1.00 0.00 H new ATOM 0 HA ASP A 31 12.754 -3.139 -14.515 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.583 -0.579 -14.440 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.379 -1.138 -12.982 1.00 0.00 H new ATOM 492 N ARG A 32 12.586 -4.380 -12.281 1.00 0.00 N ATOM 493 CA ARG A 32 12.772 -5.188 -11.088 1.00 0.00 C ATOM 494 C ARG A 32 14.202 -5.041 -10.564 1.00 0.00 C ATOM 495 O ARG A 32 14.431 -5.072 -9.356 1.00 0.00 O ATOM 496 CB ARG A 32 12.490 -6.665 -11.373 1.00 0.00 C ATOM 497 CG ARG A 32 10.992 -6.911 -11.564 1.00 0.00 C ATOM 498 CD ARG A 32 10.656 -7.128 -13.041 1.00 0.00 C ATOM 499 NE ARG A 32 11.280 -8.381 -13.523 1.00 0.00 N ATOM 500 CZ ARG A 32 11.065 -8.909 -14.735 1.00 0.00 C ATOM 501 NH1 ARG A 32 10.240 -8.297 -15.596 1.00 0.00 N ATOM 502 NH2 ARG A 32 11.675 -10.049 -15.087 1.00 0.00 N ATOM 0 H ARG A 32 12.037 -4.825 -13.017 1.00 0.00 H new ATOM 0 HA ARG A 32 12.068 -4.834 -10.335 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.030 -6.976 -12.267 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.860 -7.275 -10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.686 -7.783 -10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.428 -6.061 -11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.575 -7.176 -13.173 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.012 -6.284 -13.631 1.00 0.00 H new ATOM 0 HE ARG A 32 11.913 -8.873 -12.893 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.776 -7.429 -15.328 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.076 -8.699 -16.519 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.303 -10.515 -14.432 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.511 -10.451 -16.010 1.00 0.00 H new ATOM 516 N SER A 33 15.128 -4.885 -11.500 1.00 0.00 N ATOM 517 CA SER A 33 16.529 -4.732 -11.148 1.00 0.00 C ATOM 518 C SER A 33 16.666 -3.823 -9.925 1.00 0.00 C ATOM 519 O SER A 33 17.351 -4.169 -8.963 1.00 0.00 O ATOM 520 CB SER A 33 17.333 -4.169 -12.320 1.00 0.00 C ATOM 521 OG SER A 33 18.666 -4.673 -12.345 1.00 0.00 O ATOM 0 H SER A 33 14.935 -4.861 -12.501 1.00 0.00 H new ATOM 0 HA SER A 33 16.930 -5.717 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.833 -4.419 -13.256 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.358 -3.081 -12.253 1.00 0.00 H new ATOM 0 HG SER A 33 19.146 -4.291 -13.109 1.00 0.00 H new ATOM 527 N ASP A 34 16.002 -2.679 -10.001 1.00 0.00 N ATOM 528 CA ASP A 34 16.041 -1.717 -8.912 1.00 0.00 C ATOM 529 C ASP A 34 15.776 -2.440 -7.590 1.00 0.00 C ATOM 530 O ASP A 34 14.882 -3.280 -7.506 1.00 0.00 O ATOM 531 CB ASP A 34 14.966 -0.643 -9.087 1.00 0.00 C ATOM 532 CG ASP A 34 15.330 0.733 -8.526 1.00 0.00 C ATOM 533 OD1 ASP A 34 16.392 1.250 -8.935 1.00 0.00 O ATOM 534 OD2 ASP A 34 14.538 1.237 -7.701 1.00 0.00 O ATOM 0 H ASP A 34 15.434 -2.396 -10.800 1.00 0.00 H new ATOM 0 HA ASP A 34 17.024 -1.246 -8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.747 -0.539 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.050 -0.985 -8.605 1.00 0.00 H new ATOM 539 N GLN A 35 16.569 -2.086 -6.589 1.00 0.00 N ATOM 540 CA GLN A 35 16.432 -2.691 -5.275 1.00 0.00 C ATOM 541 C GLN A 35 15.699 -1.739 -4.327 1.00 0.00 C ATOM 542 O GLN A 35 15.168 -2.164 -3.303 1.00 0.00 O ATOM 543 CB GLN A 35 17.796 -3.086 -4.708 1.00 0.00 C ATOM 544 CG GLN A 35 18.419 -4.224 -5.520 1.00 0.00 C ATOM 545 CD GLN A 35 17.996 -5.587 -4.969 1.00 0.00 C ATOM 546 OE1 GLN A 35 17.071 -6.220 -5.452 1.00 0.00 O ATOM 547 NE2 GLN A 35 18.721 -6.001 -3.934 1.00 0.00 N ATOM 0 H GLN A 35 17.309 -1.388 -6.662 1.00 0.00 H new ATOM 0 HA GLN A 35 15.840 -3.601 -5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.461 -2.222 -4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.686 -3.394 -3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.115 -4.140 -6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 35 19.505 -4.140 -5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 35 19.482 -5.421 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.516 -6.898 -3.494 1.00 0.00 H new ATOM 556 N HIS A 36 15.693 -0.469 -4.704 1.00 0.00 N ATOM 557 CA HIS A 36 15.034 0.547 -3.900 1.00 0.00 C ATOM 558 C HIS A 36 13.523 0.310 -3.912 1.00 0.00 C ATOM 559 O HIS A 36 12.841 0.579 -2.925 1.00 0.00 O ATOM 560 CB HIS A 36 15.419 1.950 -4.375 1.00 0.00 C ATOM 561 CG HIS A 36 16.872 2.296 -4.152 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.907 1.622 -4.776 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.450 3.253 -3.371 1.00 0.00 C ATOM 564 CE1 HIS A 36 19.053 2.157 -4.379 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.768 3.167 -3.508 1.00 0.00 N ATOM 0 H HIS A 36 16.134 -0.120 -5.555 1.00 0.00 H new ATOM 0 HA HIS A 36 15.370 0.472 -2.866 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.194 2.037 -5.438 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.798 2.681 -3.857 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.925 3.961 -2.747 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.040 1.847 -4.691 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.454 3.759 -3.039 1.00 0.00 H new ATOM 573 N ILE A 37 13.044 -0.190 -5.042 1.00 0.00 N ATOM 574 CA ILE A 37 11.626 -0.465 -5.196 1.00 0.00 C ATOM 575 C ILE A 37 11.172 -1.417 -4.087 1.00 0.00 C ATOM 576 O ILE A 37 10.035 -1.337 -3.623 1.00 0.00 O ATOM 577 CB ILE A 37 11.330 -0.979 -6.607 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.169 -2.218 -6.926 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.523 0.127 -7.645 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.683 -2.894 -8.209 1.00 0.00 C ATOM 0 H ILE A 37 13.613 -0.412 -5.859 1.00 0.00 H new ATOM 0 HA ILE A 37 11.046 0.452 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 37 10.283 -1.280 -6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.216 -1.935 -7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.114 -2.923 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.306 -0.265 -8.639 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.847 0.954 -7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.553 0.482 -7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.296 -3.772 -8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.643 -3.198 -8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.763 -2.195 -9.041 1.00 0.00 H new ATOM 592 N GLN A 38 12.083 -2.294 -3.695 1.00 0.00 N ATOM 593 CA GLN A 38 11.791 -3.260 -2.649 1.00 0.00 C ATOM 594 C GLN A 38 11.276 -2.547 -1.397 1.00 0.00 C ATOM 595 O GLN A 38 12.064 -2.102 -0.564 1.00 0.00 O ATOM 596 CB GLN A 38 13.021 -4.111 -2.329 1.00 0.00 C ATOM 597 CG GLN A 38 13.407 -4.989 -3.522 1.00 0.00 C ATOM 598 CD GLN A 38 14.707 -5.747 -3.247 1.00 0.00 C ATOM 599 OE1 GLN A 38 15.692 -5.195 -2.785 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.655 -7.039 -3.557 1.00 0.00 N ATOM 0 H GLN A 38 13.024 -2.357 -4.083 1.00 0.00 H new ATOM 0 HA GLN A 38 11.010 -3.931 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.857 -3.463 -2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.817 -4.739 -1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.606 -5.698 -3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.524 -4.370 -4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.798 -7.437 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.472 -7.632 -3.411 1.00 0.00 H new ATOM 609 N LEU A 39 9.958 -2.460 -1.304 1.00 0.00 N ATOM 610 CA LEU A 39 9.329 -1.809 -0.167 1.00 0.00 C ATOM 611 C LEU A 39 8.797 -2.873 0.794 1.00 0.00 C ATOM 612 O LEU A 39 8.363 -3.941 0.366 1.00 0.00 O ATOM 613 CB LEU A 39 8.262 -0.819 -0.640 1.00 0.00 C ATOM 614 CG LEU A 39 8.777 0.532 -1.143 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.666 1.315 -1.844 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.414 1.333 -0.006 1.00 0.00 C ATOM 0 H LEU A 39 9.308 -2.829 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 39 10.059 -1.217 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.689 -1.288 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.571 -0.639 0.184 1.00 0.00 H new ATOM 0 HG LEU A 39 9.556 0.347 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.058 2.271 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.299 0.742 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.848 1.491 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.772 2.288 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.673 1.510 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.251 0.772 0.409 1.00 0.00 H new ATOM 628 N GLN A 40 8.847 -2.544 2.077 1.00 0.00 N ATOM 629 CA GLN A 40 8.375 -3.458 3.103 1.00 0.00 C ATOM 630 C GLN A 40 7.034 -2.981 3.663 1.00 0.00 C ATOM 631 O GLN A 40 6.959 -1.928 4.294 1.00 0.00 O ATOM 632 CB GLN A 40 9.411 -3.612 4.219 1.00 0.00 C ATOM 633 CG GLN A 40 10.005 -5.021 4.225 1.00 0.00 C ATOM 634 CD GLN A 40 9.523 -5.815 5.441 1.00 0.00 C ATOM 635 OE1 GLN A 40 9.327 -5.284 6.522 1.00 0.00 O ATOM 636 NE2 GLN A 40 9.343 -7.111 5.205 1.00 0.00 N ATOM 0 H GLN A 40 9.207 -1.657 2.429 1.00 0.00 H new ATOM 0 HA GLN A 40 8.229 -4.438 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.206 -2.879 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.946 -3.406 5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.722 -5.542 3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.093 -4.961 4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.526 -7.490 4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.022 -7.726 5.953 1.00 0.00 H new ATOM 645 N LEU A 41 6.006 -3.779 3.412 1.00 0.00 N ATOM 646 CA LEU A 41 4.672 -3.452 3.882 1.00 0.00 C ATOM 647 C LEU A 41 4.455 -4.076 5.263 1.00 0.00 C ATOM 648 O LEU A 41 4.819 -5.228 5.491 1.00 0.00 O ATOM 649 CB LEU A 41 3.622 -3.866 2.849 1.00 0.00 C ATOM 650 CG LEU A 41 3.263 -2.814 1.799 1.00 0.00 C ATOM 651 CD1 LEU A 41 4.394 -1.797 1.633 1.00 0.00 C ATOM 652 CD2 LEU A 41 2.883 -3.471 0.470 1.00 0.00 C ATOM 0 H LEU A 41 6.071 -4.652 2.889 1.00 0.00 H new ATOM 0 HA LEU A 41 4.563 -2.374 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.980 -4.757 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.712 -4.148 3.378 1.00 0.00 H new ATOM 0 HG LEU A 41 2.387 -2.268 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.113 -1.060 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.574 -1.295 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.302 -2.311 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.632 -2.700 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.723 -4.059 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.022 -4.123 0.619 1.00 0.00 H new ATOM 664 N SER A 42 3.863 -3.286 6.147 1.00 0.00 N ATOM 665 CA SER A 42 3.594 -3.747 7.499 1.00 0.00 C ATOM 666 C SER A 42 2.168 -3.371 7.905 1.00 0.00 C ATOM 667 O SER A 42 1.565 -2.477 7.313 1.00 0.00 O ATOM 668 CB SER A 42 4.600 -3.161 8.491 1.00 0.00 C ATOM 669 OG SER A 42 5.939 -3.253 8.011 1.00 0.00 O ATOM 0 H SER A 42 3.562 -2.331 5.954 1.00 0.00 H new ATOM 0 HA SER A 42 3.697 -4.832 7.518 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.354 -2.116 8.682 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.519 -3.687 9.442 1.00 0.00 H new ATOM 0 HG SER A 42 6.551 -2.867 8.672 1.00 0.00 H new ATOM 675 N ALA A 43 1.669 -4.072 8.913 1.00 0.00 N ATOM 676 CA ALA A 43 0.325 -3.823 9.405 1.00 0.00 C ATOM 677 C ALA A 43 0.386 -3.502 10.900 1.00 0.00 C ATOM 678 O ALA A 43 1.008 -4.231 11.671 1.00 0.00 O ATOM 679 CB ALA A 43 -0.561 -5.034 9.105 1.00 0.00 C ATOM 0 H ALA A 43 2.172 -4.812 9.402 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.116 -2.963 8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.569 -4.847 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.594 -5.203 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.151 -5.916 9.598 1.00 0.00 H new ATOM 685 N GLU A 44 -0.270 -2.410 11.265 1.00 0.00 N ATOM 686 CA GLU A 44 -0.298 -1.983 12.653 1.00 0.00 C ATOM 687 C GLU A 44 -1.733 -1.997 13.184 1.00 0.00 C ATOM 688 O GLU A 44 -1.999 -2.547 14.251 1.00 0.00 O ATOM 689 CB GLU A 44 0.332 -0.598 12.815 1.00 0.00 C ATOM 690 CG GLU A 44 1.679 -0.522 12.092 1.00 0.00 C ATOM 691 CD GLU A 44 2.450 0.734 12.502 1.00 0.00 C ATOM 692 OE1 GLU A 44 1.876 1.523 13.283 1.00 0.00 O ATOM 693 OE2 GLU A 44 3.597 0.877 12.025 1.00 0.00 O ATOM 0 H GLU A 44 -0.786 -1.808 10.623 1.00 0.00 H new ATOM 0 HA GLU A 44 0.294 -2.686 13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.342 0.161 12.418 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.470 -0.379 13.874 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.270 -1.408 12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.518 -0.519 11.014 1.00 0.00 H new ATOM 700 N SER A 45 -2.621 -1.385 12.413 1.00 0.00 N ATOM 701 CA SER A 45 -4.022 -1.320 12.792 1.00 0.00 C ATOM 702 C SER A 45 -4.897 -1.847 11.652 1.00 0.00 C ATOM 703 O SER A 45 -4.459 -1.906 10.505 1.00 0.00 O ATOM 704 CB SER A 45 -4.429 0.109 13.156 1.00 0.00 C ATOM 705 OG SER A 45 -3.308 0.988 13.201 1.00 0.00 O ATOM 0 H SER A 45 -2.397 -0.930 11.528 1.00 0.00 H new ATOM 0 HA SER A 45 -4.167 -1.945 13.673 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.150 0.478 12.426 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.928 0.108 14.125 1.00 0.00 H new ATOM 0 HG SER A 45 -3.597 1.898 12.982 1.00 0.00 H new ATOM 711 N VAL A 46 -6.119 -2.216 12.009 1.00 0.00 N ATOM 712 CA VAL A 46 -7.059 -2.736 11.031 1.00 0.00 C ATOM 713 C VAL A 46 -7.266 -1.697 9.927 1.00 0.00 C ATOM 714 O VAL A 46 -7.575 -0.540 10.208 1.00 0.00 O ATOM 715 CB VAL A 46 -8.363 -3.141 11.722 1.00 0.00 C ATOM 716 CG1 VAL A 46 -9.385 -3.655 10.706 1.00 0.00 C ATOM 717 CG2 VAL A 46 -8.104 -4.181 12.814 1.00 0.00 C ATOM 0 H VAL A 46 -6.479 -2.165 12.962 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.662 -3.636 10.561 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.781 -2.253 12.197 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.302 -3.936 11.223 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.603 -2.871 9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.979 -4.525 10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.047 -4.452 13.289 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.653 -5.069 12.371 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.428 -3.764 13.560 1.00 0.00 H new ATOM 727 N GLY A 47 -7.087 -2.147 8.694 1.00 0.00 N ATOM 728 CA GLY A 47 -7.250 -1.271 7.546 1.00 0.00 C ATOM 729 C GLY A 47 -6.135 -0.224 7.492 1.00 0.00 C ATOM 730 O GLY A 47 -6.354 0.898 7.040 1.00 0.00 O ATOM 0 H GLY A 47 -6.831 -3.107 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.244 -1.861 6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.219 -0.774 7.598 1.00 0.00 H new ATOM 734 N GLU A 48 -4.963 -0.630 7.960 1.00 0.00 N ATOM 735 CA GLU A 48 -3.814 0.259 7.971 1.00 0.00 C ATOM 736 C GLU A 48 -2.546 -0.508 7.593 1.00 0.00 C ATOM 737 O GLU A 48 -2.332 -1.628 8.056 1.00 0.00 O ATOM 738 CB GLU A 48 -3.658 0.937 9.334 1.00 0.00 C ATOM 739 CG GLU A 48 -4.923 1.713 9.708 1.00 0.00 C ATOM 740 CD GLU A 48 -4.586 2.918 10.589 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.295 2.685 11.782 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.627 4.045 10.049 1.00 0.00 O ATOM 0 H GLU A 48 -4.785 -1.562 8.334 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.977 1.041 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.449 0.186 10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.805 1.615 9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.429 2.050 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.615 1.056 10.234 1.00 0.00 H new ATOM 749 N VAL A 49 -1.738 0.124 6.754 1.00 0.00 N ATOM 750 CA VAL A 49 -0.497 -0.486 6.308 1.00 0.00 C ATOM 751 C VAL A 49 0.586 0.591 6.202 1.00 0.00 C ATOM 752 O VAL A 49 0.283 1.759 5.963 1.00 0.00 O ATOM 753 CB VAL A 49 -0.725 -1.236 4.994 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.822 -2.291 5.149 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.054 -0.265 3.859 1.00 0.00 C ATOM 0 H VAL A 49 -1.919 1.052 6.372 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.152 -1.224 7.032 1.00 0.00 H new ATOM 0 HB VAL A 49 0.201 -1.751 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.965 -2.810 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.530 -3.009 5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.754 -1.807 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.211 -0.824 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.959 0.290 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.226 0.431 3.725 1.00 0.00 H new ATOM 765 N TYR A 50 1.825 0.159 6.385 1.00 0.00 N ATOM 766 CA TYR A 50 2.954 1.071 6.313 1.00 0.00 C ATOM 767 C TYR A 50 3.881 0.704 5.152 1.00 0.00 C ATOM 768 O TYR A 50 4.237 -0.461 4.982 1.00 0.00 O ATOM 769 CB TYR A 50 3.714 0.906 7.630 1.00 0.00 C ATOM 770 CG TYR A 50 3.338 1.934 8.699 1.00 0.00 C ATOM 771 CD1 TYR A 50 4.013 3.135 8.768 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.323 1.660 9.593 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.659 4.103 9.774 1.00 0.00 C ATOM 774 CE2 TYR A 50 1.969 2.627 10.599 1.00 0.00 C ATOM 775 CZ TYR A 50 2.655 3.801 10.640 1.00 0.00 C ATOM 776 OH TYR A 50 2.320 4.715 11.590 1.00 0.00 O ATOM 0 H TYR A 50 2.072 -0.811 6.583 1.00 0.00 H new ATOM 0 HA TYR A 50 2.612 2.094 6.154 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.529 -0.094 8.022 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.783 0.978 7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.807 3.349 8.068 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.794 0.720 9.538 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.179 5.047 9.839 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.177 2.425 11.305 1.00 0.00 H new ATOM 0 HH TYR A 50 1.586 4.365 12.137 1.00 0.00 H new ATOM 786 N ILE A 51 4.246 1.720 4.385 1.00 0.00 N ATOM 787 CA ILE A 51 5.126 1.520 3.245 1.00 0.00 C ATOM 788 C ILE A 51 6.437 2.272 3.480 1.00 0.00 C ATOM 789 O ILE A 51 6.474 3.499 3.410 1.00 0.00 O ATOM 790 CB ILE A 51 4.417 1.909 1.947 1.00 0.00 C ATOM 791 CG1 ILE A 51 2.909 1.678 2.054 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.026 1.176 0.749 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.204 2.035 0.744 1.00 0.00 C ATOM 0 H ILE A 51 3.949 2.685 4.530 1.00 0.00 H new ATOM 0 HA ILE A 51 5.379 0.465 3.139 1.00 0.00 H new ATOM 0 HB ILE A 51 4.567 2.976 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.714 0.635 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.502 2.281 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.504 1.470 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.081 1.435 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.927 0.100 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.133 1.861 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.380 3.085 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.596 1.413 -0.061 1.00 0.00 H new ATOM 805 N LYS A 52 7.482 1.505 3.755 1.00 0.00 N ATOM 806 CA LYS A 52 8.792 2.083 4.000 1.00 0.00 C ATOM 807 C LYS A 52 9.839 1.332 3.176 1.00 0.00 C ATOM 808 O LYS A 52 9.730 0.122 2.981 1.00 0.00 O ATOM 809 CB LYS A 52 9.093 2.110 5.500 1.00 0.00 C ATOM 810 CG LYS A 52 10.601 2.091 5.757 1.00 0.00 C ATOM 811 CD LYS A 52 11.113 0.658 5.911 1.00 0.00 C ATOM 812 CE LYS A 52 11.215 0.268 7.387 1.00 0.00 C ATOM 813 NZ LYS A 52 10.988 -1.185 7.556 1.00 0.00 N ATOM 0 H LYS A 52 7.448 0.487 3.814 1.00 0.00 H new ATOM 0 HA LYS A 52 8.816 3.123 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.656 3.003 5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.627 1.251 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.120 2.580 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.827 2.661 6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.442 -0.029 5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.091 0.564 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.199 0.536 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.482 0.827 7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.061 -1.433 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.040 -1.431 7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.704 -1.713 7.017 1.00 0.00 H new ATOM 827 N SER A 53 10.830 2.080 2.714 1.00 0.00 N ATOM 828 CA SER A 53 11.896 1.500 1.915 1.00 0.00 C ATOM 829 C SER A 53 12.950 0.871 2.828 1.00 0.00 C ATOM 830 O SER A 53 13.325 1.454 3.844 1.00 0.00 O ATOM 831 CB SER A 53 12.538 2.551 1.007 1.00 0.00 C ATOM 832 OG SER A 53 12.829 2.032 -0.288 1.00 0.00 O ATOM 0 H SER A 53 10.917 3.083 2.878 1.00 0.00 H new ATOM 0 HA SER A 53 11.466 0.726 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.869 3.406 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.457 2.915 1.467 1.00 0.00 H new ATOM 0 HG SER A 53 13.236 2.734 -0.838 1.00 0.00 H new ATOM 838 N THR A 54 13.400 -0.311 2.432 1.00 0.00 N ATOM 839 CA THR A 54 14.404 -1.026 3.202 1.00 0.00 C ATOM 840 C THR A 54 15.800 -0.761 2.634 1.00 0.00 C ATOM 841 O THR A 54 16.798 -1.204 3.199 1.00 0.00 O ATOM 842 CB THR A 54 14.024 -2.508 3.214 1.00 0.00 C ATOM 843 OG1 THR A 54 14.425 -2.980 1.931 1.00 0.00 O ATOM 844 CG2 THR A 54 12.509 -2.724 3.234 1.00 0.00 C ATOM 0 H THR A 54 13.088 -0.791 1.588 1.00 0.00 H new ATOM 0 HA THR A 54 14.435 -0.675 4.234 1.00 0.00 H new ATOM 0 HB THR A 54 14.471 -2.990 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.217 -3.934 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.294 -3.793 3.242 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.087 -2.262 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.065 -2.271 2.347 1.00 0.00 H new ATOM 852 N GLU A 55 15.824 -0.040 1.522 1.00 0.00 N ATOM 853 CA GLU A 55 17.081 0.289 0.872 1.00 0.00 C ATOM 854 C GLU A 55 17.689 1.546 1.496 1.00 0.00 C ATOM 855 O GLU A 55 18.751 1.485 2.115 1.00 0.00 O ATOM 856 CB GLU A 55 16.888 0.464 -0.636 1.00 0.00 C ATOM 857 CG GLU A 55 18.213 0.803 -1.323 1.00 0.00 C ATOM 858 CD GLU A 55 19.087 -0.444 -1.472 1.00 0.00 C ATOM 859 OE1 GLU A 55 18.505 -1.516 -1.743 1.00 0.00 O ATOM 860 OE2 GLU A 55 20.318 -0.297 -1.312 1.00 0.00 O ATOM 0 H GLU A 55 14.994 0.325 1.055 1.00 0.00 H new ATOM 0 HA GLU A 55 17.774 -0.539 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.477 -0.451 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.164 1.256 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.018 1.234 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.745 1.557 -0.743 1.00 0.00 H new ATOM 867 N THR A 56 16.991 2.657 1.313 1.00 0.00 N ATOM 868 CA THR A 56 17.449 3.926 1.851 1.00 0.00 C ATOM 869 C THR A 56 17.148 4.010 3.349 1.00 0.00 C ATOM 870 O THR A 56 18.064 4.066 4.168 1.00 0.00 O ATOM 871 CB THR A 56 16.799 5.047 1.037 1.00 0.00 C ATOM 872 OG1 THR A 56 15.400 4.841 1.218 1.00 0.00 O ATOM 873 CG2 THR A 56 17.009 4.875 -0.469 1.00 0.00 C ATOM 0 H THR A 56 16.111 2.704 0.799 1.00 0.00 H new ATOM 0 HA THR A 56 18.531 4.026 1.763 1.00 0.00 H new ATOM 0 HB THR A 56 17.206 6.008 1.353 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.902 5.420 0.604 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.528 5.697 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 56 18.076 4.876 -0.690 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.572 3.930 -0.792 1.00 0.00 H new ATOM 881 N GLY A 57 15.860 4.017 3.662 1.00 0.00 N ATOM 882 CA GLY A 57 15.427 4.093 5.047 1.00 0.00 C ATOM 883 C GLY A 57 14.426 5.233 5.246 1.00 0.00 C ATOM 884 O GLY A 57 14.543 6.007 6.195 1.00 0.00 O ATOM 0 H GLY A 57 15.103 3.971 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.971 3.148 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.291 4.245 5.694 1.00 0.00 H new ATOM 888 N GLN A 58 13.465 5.299 4.337 1.00 0.00 N ATOM 889 CA GLN A 58 12.444 6.331 4.401 1.00 0.00 C ATOM 890 C GLN A 58 11.051 5.706 4.301 1.00 0.00 C ATOM 891 O GLN A 58 10.908 4.565 3.865 1.00 0.00 O ATOM 892 CB GLN A 58 12.654 7.379 3.306 1.00 0.00 C ATOM 893 CG GLN A 58 14.137 7.729 3.160 1.00 0.00 C ATOM 894 CD GLN A 58 14.396 8.481 1.853 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.953 9.566 1.831 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.962 7.845 0.768 1.00 0.00 N ATOM 0 H GLN A 58 13.372 4.655 3.552 1.00 0.00 H new ATOM 0 HA GLN A 58 12.526 6.837 5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.271 7.002 2.358 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.086 8.278 3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.455 8.340 4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.734 6.817 3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.504 6.938 0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.088 8.264 -0.153 1.00 0.00 H new ATOM 905 N TYR A 59 10.059 6.482 4.713 1.00 0.00 N ATOM 906 CA TYR A 59 8.682 6.019 4.675 1.00 0.00 C ATOM 907 C TYR A 59 7.872 6.790 3.631 1.00 0.00 C ATOM 908 O TYR A 59 8.018 8.005 3.500 1.00 0.00 O ATOM 909 CB TYR A 59 8.104 6.303 6.063 1.00 0.00 C ATOM 910 CG TYR A 59 9.065 5.992 7.213 1.00 0.00 C ATOM 911 CD1 TYR A 59 10.014 5.002 7.070 1.00 0.00 C ATOM 912 CD2 TYR A 59 8.981 6.704 8.393 1.00 0.00 C ATOM 913 CE1 TYR A 59 10.919 4.710 8.152 1.00 0.00 C ATOM 914 CE2 TYR A 59 9.885 6.412 9.475 1.00 0.00 C ATOM 915 CZ TYR A 59 10.810 5.429 9.301 1.00 0.00 C ATOM 916 OH TYR A 59 11.664 5.154 10.323 1.00 0.00 O ATOM 0 H TYR A 59 10.181 7.428 5.075 1.00 0.00 H new ATOM 0 HA TYR A 59 8.640 4.962 4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.816 7.353 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.195 5.716 6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.079 4.445 6.147 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.238 7.480 8.504 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.667 3.937 8.053 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.830 6.961 10.404 1.00 0.00 H new ATOM 0 HH TYR A 59 11.470 5.746 11.079 1.00 0.00 H new ATOM 926 N LEU A 60 7.036 6.053 2.914 1.00 0.00 N ATOM 927 CA LEU A 60 6.203 6.653 1.886 1.00 0.00 C ATOM 928 C LEU A 60 5.023 7.370 2.545 1.00 0.00 C ATOM 929 O LEU A 60 4.207 6.741 3.218 1.00 0.00 O ATOM 930 CB LEU A 60 5.786 5.603 0.854 1.00 0.00 C ATOM 931 CG LEU A 60 4.801 6.071 -0.218 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.534 6.477 -1.498 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.733 5.008 -0.483 1.00 0.00 C ATOM 0 H LEU A 60 6.918 5.046 3.025 1.00 0.00 H new ATOM 0 HA LEU A 60 6.764 7.406 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.683 5.233 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.343 4.759 1.382 1.00 0.00 H new ATOM 0 HG LEU A 60 4.288 6.958 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.810 6.806 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.224 7.292 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.091 5.623 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.045 5.366 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.211 4.090 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.181 4.810 0.436 1.00 0.00 H new ATOM 945 N ALA A 61 4.970 8.676 2.329 1.00 0.00 N ATOM 946 CA ALA A 61 3.904 9.485 2.894 1.00 0.00 C ATOM 947 C ALA A 61 3.396 10.465 1.834 1.00 0.00 C ATOM 948 O ALA A 61 4.156 10.897 0.969 1.00 0.00 O ATOM 949 CB ALA A 61 4.413 10.197 4.149 1.00 0.00 C ATOM 0 H ALA A 61 5.648 9.194 1.770 1.00 0.00 H new ATOM 0 HA ALA A 61 3.064 8.858 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.613 10.804 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.734 9.457 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.255 10.838 3.887 1.00 0.00 H new ATOM 955 N MET A 62 2.115 10.786 1.936 1.00 0.00 N ATOM 956 CA MET A 62 1.497 11.706 0.997 1.00 0.00 C ATOM 957 C MET A 62 1.292 13.083 1.632 1.00 0.00 C ATOM 958 O MET A 62 0.557 13.216 2.610 1.00 0.00 O ATOM 959 CB MET A 62 0.147 11.145 0.546 1.00 0.00 C ATOM 960 CG MET A 62 -0.557 12.112 -0.408 1.00 0.00 C ATOM 961 SD MET A 62 -2.059 11.373 -1.028 1.00 0.00 S ATOM 962 CE MET A 62 -1.370 10.165 -2.148 1.00 0.00 C ATOM 0 H MET A 62 1.488 10.425 2.655 1.00 0.00 H new ATOM 0 HA MET A 62 2.159 11.818 0.138 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.295 10.184 0.052 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.484 10.963 1.416 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.787 13.043 0.109 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.104 12.363 -1.238 1.00 0.00 H new ATOM 0 HE1 MET A 62 -2.112 9.904 -2.903 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.488 10.582 -2.635 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.089 9.271 -1.591 1.00 0.00 H new ATOM 972 N ASP A 63 1.954 14.072 1.051 1.00 0.00 N ATOM 973 CA ASP A 63 1.853 15.434 1.548 1.00 0.00 C ATOM 974 C ASP A 63 0.517 16.035 1.108 1.00 0.00 C ATOM 975 O ASP A 63 -0.397 15.309 0.719 1.00 0.00 O ATOM 976 CB ASP A 63 2.974 16.310 0.985 1.00 0.00 C ATOM 977 CG ASP A 63 3.829 17.021 2.036 1.00 0.00 C ATOM 978 OD1 ASP A 63 3.321 17.181 3.167 1.00 0.00 O ATOM 979 OD2 ASP A 63 4.970 17.389 1.685 1.00 0.00 O ATOM 0 H ASP A 63 2.563 13.958 0.241 1.00 0.00 H new ATOM 0 HA ASP A 63 1.931 15.403 2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.624 15.690 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.533 17.060 0.329 1.00 0.00 H new ATOM 984 N THR A 64 0.445 17.356 1.184 1.00 0.00 N ATOM 985 CA THR A 64 -0.764 18.064 0.799 1.00 0.00 C ATOM 986 C THR A 64 -0.750 18.365 -0.701 1.00 0.00 C ATOM 987 O THR A 64 -1.793 18.646 -1.291 1.00 0.00 O ATOM 988 CB THR A 64 -0.877 19.316 1.670 1.00 0.00 C ATOM 989 OG1 THR A 64 0.263 20.092 1.311 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.671 19.017 3.156 1.00 0.00 C ATOM 0 H THR A 64 1.205 17.955 1.507 1.00 0.00 H new ATOM 0 HA THR A 64 -1.651 17.453 0.968 1.00 0.00 H new ATOM 0 HB THR A 64 -1.856 19.772 1.524 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.268 20.924 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.762 19.940 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.426 18.306 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.321 18.592 3.307 1.00 0.00 H new ATOM 998 N ASP A 65 0.442 18.297 -1.275 1.00 0.00 N ATOM 999 CA ASP A 65 0.605 18.559 -2.695 1.00 0.00 C ATOM 1000 C ASP A 65 -0.099 17.462 -3.496 1.00 0.00 C ATOM 1001 O ASP A 65 -0.454 17.666 -4.655 1.00 0.00 O ATOM 1002 CB ASP A 65 2.083 18.558 -3.089 1.00 0.00 C ATOM 1003 CG ASP A 65 2.749 19.935 -3.104 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.184 20.846 -2.461 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.809 20.046 -3.758 1.00 0.00 O ATOM 0 H ASP A 65 1.304 18.064 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 65 0.176 19.538 -2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.627 17.915 -2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.179 18.114 -4.080 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.278 16.321 -2.845 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.933 15.192 -3.482 1.00 0.00 C ATOM 1012 C GLY A 66 0.094 14.175 -3.985 1.00 0.00 C ATOM 1013 O GLY A 66 -0.270 13.084 -4.422 1.00 0.00 O ATOM 0 H GLY A 66 0.019 16.155 -1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.609 14.712 -2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.541 15.543 -4.316 1.00 0.00 H new ATOM 1017 N LEU A 67 1.357 14.569 -3.906 1.00 0.00 N ATOM 1018 CA LEU A 67 2.439 13.706 -4.348 1.00 0.00 C ATOM 1019 C LEU A 67 2.941 12.878 -3.163 1.00 0.00 C ATOM 1020 O LEU A 67 2.564 13.132 -2.020 1.00 0.00 O ATOM 1021 CB LEU A 67 3.533 14.526 -5.033 1.00 0.00 C ATOM 1022 CG LEU A 67 3.161 15.147 -6.381 1.00 0.00 C ATOM 1023 CD1 LEU A 67 1.822 14.604 -6.884 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.165 16.675 -6.300 1.00 0.00 C ATOM 0 H LEU A 67 1.655 15.474 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 67 2.082 13.003 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.836 15.326 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.403 13.885 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 67 3.919 14.861 -7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.581 15.062 -7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.890 13.523 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.040 14.840 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.897 17.092 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.441 17.002 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.159 17.022 -6.018 1.00 0.00 H new ATOM 1036 N LEU A 68 3.785 11.906 -3.476 1.00 0.00 N ATOM 1037 CA LEU A 68 4.343 11.040 -2.452 1.00 0.00 C ATOM 1038 C LEU A 68 5.791 11.451 -2.176 1.00 0.00 C ATOM 1039 O LEU A 68 6.509 11.857 -3.089 1.00 0.00 O ATOM 1040 CB LEU A 68 4.185 9.571 -2.847 1.00 0.00 C ATOM 1041 CG LEU A 68 2.750 9.042 -2.905 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.550 8.129 -4.115 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.368 8.349 -1.595 1.00 0.00 C ATOM 0 H LEU A 68 4.096 11.699 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 68 3.795 11.154 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.644 9.427 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.747 8.962 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 68 2.078 9.891 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.522 7.767 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.753 8.687 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.232 7.281 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.344 7.982 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.042 7.511 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.446 9.059 -0.772 1.00 0.00 H new ATOM 1055 N TYR A 69 6.177 11.330 -0.915 1.00 0.00 N ATOM 1056 CA TYR A 69 7.526 11.683 -0.508 1.00 0.00 C ATOM 1057 C TYR A 69 7.993 10.812 0.660 1.00 0.00 C ATOM 1058 O TYR A 69 7.180 10.167 1.321 1.00 0.00 O ATOM 1059 CB TYR A 69 7.460 13.141 -0.047 1.00 0.00 C ATOM 1060 CG TYR A 69 6.771 13.335 1.305 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.374 12.877 2.459 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.547 13.968 1.371 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.726 13.060 3.731 1.00 0.00 C ATOM 1064 CE2 TYR A 69 4.898 14.152 2.644 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.520 13.688 3.761 1.00 0.00 C ATOM 1066 OH TYR A 69 4.908 13.861 4.963 1.00 0.00 O ATOM 0 H TYR A 69 5.579 10.992 -0.161 1.00 0.00 H new ATOM 0 HA TYR A 69 8.225 11.536 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.473 13.539 0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.932 13.726 -0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.332 12.381 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.075 14.326 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.187 12.707 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.940 14.647 2.710 1.00 0.00 H new ATOM 0 HH TYR A 69 3.972 14.112 4.820 1.00 0.00 H new ATOM 1076 N GLY A 70 9.299 10.823 0.880 1.00 0.00 N ATOM 1077 CA GLY A 70 9.883 10.042 1.957 1.00 0.00 C ATOM 1078 C GLY A 70 9.982 10.867 3.242 1.00 0.00 C ATOM 1079 O GLY A 70 10.556 11.954 3.243 1.00 0.00 O ATOM 0 H GLY A 70 9.970 11.360 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.277 9.154 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.875 9.697 1.665 1.00 0.00 H new ATOM 1083 N SER A 71 9.412 10.318 4.305 1.00 0.00 N ATOM 1084 CA SER A 71 9.428 10.990 5.593 1.00 0.00 C ATOM 1085 C SER A 71 10.640 10.533 6.406 1.00 0.00 C ATOM 1086 O SER A 71 10.988 9.353 6.398 1.00 0.00 O ATOM 1087 CB SER A 71 8.137 10.724 6.369 1.00 0.00 C ATOM 1088 OG SER A 71 7.964 11.638 7.448 1.00 0.00 O ATOM 0 H SER A 71 8.936 9.416 4.300 1.00 0.00 H new ATOM 0 HA SER A 71 9.500 12.063 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.286 10.797 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.150 9.705 6.756 1.00 0.00 H new ATOM 0 HG SER A 71 8.059 11.161 8.299 1.00 0.00 H new ATOM 1094 N GLN A 72 11.249 11.490 7.090 1.00 0.00 N ATOM 1095 CA GLN A 72 12.415 11.200 7.907 1.00 0.00 C ATOM 1096 C GLN A 72 11.996 10.497 9.199 1.00 0.00 C ATOM 1097 O GLN A 72 12.739 9.673 9.731 1.00 0.00 O ATOM 1098 CB GLN A 72 13.205 12.476 8.208 1.00 0.00 C ATOM 1099 CG GLN A 72 14.603 12.145 8.734 1.00 0.00 C ATOM 1100 CD GLN A 72 15.660 13.037 8.080 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.362 14.042 7.456 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.909 12.615 8.257 1.00 0.00 N ATOM 0 H GLN A 72 10.957 12.467 7.095 1.00 0.00 H new ATOM 0 HA GLN A 72 13.069 10.531 7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.286 13.079 7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.668 13.075 8.944 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.629 12.277 9.816 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.832 11.098 8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.089 11.765 8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.687 13.142 7.859 1.00 0.00 H new ATOM 1111 N THR A 73 10.807 10.848 9.668 1.00 0.00 N ATOM 1112 CA THR A 73 10.281 10.260 10.888 1.00 0.00 C ATOM 1113 C THR A 73 8.954 9.551 10.609 1.00 0.00 C ATOM 1114 O THR A 73 8.269 9.868 9.637 1.00 0.00 O ATOM 1115 CB THR A 73 10.168 11.369 11.936 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.575 12.455 11.230 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.534 11.907 12.368 1.00 0.00 C ATOM 0 H THR A 73 10.194 11.532 9.225 1.00 0.00 H new ATOM 0 HA THR A 73 10.949 9.491 11.277 1.00 0.00 H new ATOM 0 HB THR A 73 9.634 10.991 12.808 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.464 13.217 11.836 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.397 12.691 13.112 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.124 11.098 12.798 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.055 12.315 11.502 1.00 0.00 H new ATOM 1125 N PRO A 74 8.623 8.580 11.501 1.00 0.00 N ATOM 1126 CA PRO A 74 7.390 7.823 11.360 1.00 0.00 C ATOM 1127 C PRO A 74 6.180 8.664 11.773 1.00 0.00 C ATOM 1128 O PRO A 74 5.989 8.943 12.956 1.00 0.00 O ATOM 1129 CB PRO A 74 7.583 6.592 12.231 1.00 0.00 C ATOM 1130 CG PRO A 74 8.716 6.930 13.185 1.00 0.00 C ATOM 1131 CD PRO A 74 9.409 8.178 12.663 1.00 0.00 C ATOM 0 HA PRO A 74 7.187 7.537 10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.671 6.353 12.777 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.829 5.720 11.625 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.331 7.100 14.190 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.421 6.101 13.250 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.430 8.964 13.418 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.444 7.971 12.389 1.00 0.00 H new ATOM 1139 N ASN A 75 5.395 9.043 10.776 1.00 0.00 N ATOM 1140 CA ASN A 75 4.210 9.846 11.020 1.00 0.00 C ATOM 1141 C ASN A 75 2.998 9.167 10.380 1.00 0.00 C ATOM 1142 O ASN A 75 3.141 8.405 9.424 1.00 0.00 O ATOM 1143 CB ASN A 75 4.351 11.240 10.404 1.00 0.00 C ATOM 1144 CG ASN A 75 5.133 12.172 11.331 1.00 0.00 C ATOM 1145 OD1 ASN A 75 4.838 12.311 12.507 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.144 12.801 10.739 1.00 0.00 N ATOM 0 H ASN A 75 5.557 8.808 9.797 1.00 0.00 H new ATOM 0 HA ASN A 75 4.084 9.940 12.099 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.859 11.167 9.443 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.363 11.658 10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.727 13.445 11.273 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.337 12.639 9.750 1.00 0.00 H new ATOM 1153 N GLU A 76 1.831 9.467 10.931 1.00 0.00 N ATOM 1154 CA GLU A 76 0.595 8.895 10.425 1.00 0.00 C ATOM 1155 C GLU A 76 0.541 9.011 8.901 1.00 0.00 C ATOM 1156 O GLU A 76 -0.092 8.194 8.234 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.622 9.562 11.070 1.00 0.00 C ATOM 1158 CG GLU A 76 -0.909 8.964 12.448 1.00 0.00 C ATOM 1159 CD GLU A 76 -0.499 9.930 13.561 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -1.208 10.947 13.720 1.00 0.00 O ATOM 1161 OE2 GLU A 76 0.515 9.631 14.228 1.00 0.00 O ATOM 0 H GLU A 76 1.715 10.099 11.723 1.00 0.00 H new ATOM 0 HA GLU A 76 0.571 7.838 10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.446 10.634 11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.493 9.437 10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.971 8.734 12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.369 8.024 12.560 1.00 0.00 H new ATOM 1168 N GLU A 77 1.213 10.034 8.393 1.00 0.00 N ATOM 1169 CA GLU A 77 1.250 10.268 6.959 1.00 0.00 C ATOM 1170 C GLU A 77 1.868 9.067 6.241 1.00 0.00 C ATOM 1171 O GLU A 77 1.594 8.834 5.065 1.00 0.00 O ATOM 1172 CB GLU A 77 2.012 11.554 6.633 1.00 0.00 C ATOM 1173 CG GLU A 77 1.380 12.758 7.333 1.00 0.00 C ATOM 1174 CD GLU A 77 2.301 13.979 7.262 1.00 0.00 C ATOM 1175 OE1 GLU A 77 2.477 14.492 6.136 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.807 14.371 8.335 1.00 0.00 O ATOM 0 H GLU A 77 1.736 10.710 8.949 1.00 0.00 H new ATOM 0 HA GLU A 77 0.227 10.391 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.052 11.453 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.015 11.716 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.423 12.993 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.176 12.512 8.375 1.00 0.00 H new ATOM 1183 N CYS A 78 2.690 8.335 6.979 1.00 0.00 N ATOM 1184 CA CYS A 78 3.349 7.164 6.427 1.00 0.00 C ATOM 1185 C CYS A 78 2.374 5.987 6.496 1.00 0.00 C ATOM 1186 O CYS A 78 2.523 5.009 5.765 1.00 0.00 O ATOM 1187 CB CYS A 78 4.662 6.860 7.151 1.00 0.00 C ATOM 1188 SG CYS A 78 5.692 8.370 7.240 1.00 0.00 S ATOM 0 H CYS A 78 2.914 8.531 7.955 1.00 0.00 H new ATOM 0 HA CYS A 78 3.618 7.351 5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.456 6.491 8.156 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.202 6.072 6.626 1.00 0.00 H new ATOM 0 HG CYS A 78 5.049 9.296 7.888 1.00 0.00 H new ATOM 1194 N LEU A 79 1.397 6.120 7.382 1.00 0.00 N ATOM 1195 CA LEU A 79 0.398 5.080 7.556 1.00 0.00 C ATOM 1196 C LEU A 79 -0.736 5.294 6.551 1.00 0.00 C ATOM 1197 O LEU A 79 -1.294 6.386 6.462 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.073 5.027 9.011 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.050 3.902 9.359 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.619 2.583 8.716 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.219 3.773 10.874 1.00 0.00 C ATOM 0 H LEU A 79 1.277 6.933 7.987 1.00 0.00 H new ATOM 0 HA LEU A 79 0.829 4.101 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.803 4.932 9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.544 5.979 9.254 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.026 4.157 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.330 1.800 8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.591 2.698 7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.372 2.309 9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.918 2.967 11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.254 3.552 11.330 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.605 4.709 11.278 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.042 4.233 5.818 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.098 4.291 4.822 1.00 0.00 C ATOM 1215 C PHE A 80 -3.148 3.206 5.072 1.00 0.00 C ATOM 1216 O PHE A 80 -2.899 2.256 5.813 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.444 4.047 3.461 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.650 5.242 2.929 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.421 5.711 3.624 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.015 5.835 1.761 1.00 0.00 C ATOM 1221 CE1 PHE A 80 1.157 6.820 3.130 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.278 6.944 1.267 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.792 7.413 1.962 1.00 0.00 C ATOM 0 H PHE A 80 -0.577 3.328 5.894 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.597 5.259 4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.779 3.187 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.218 3.788 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.711 5.240 4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.865 5.463 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.007 7.193 3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.568 7.415 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.352 8.257 1.587 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.299 3.384 4.440 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.387 2.432 4.585 1.00 0.00 C ATOM 1235 C LEU A 81 -5.474 1.568 3.326 1.00 0.00 C ATOM 1236 O LEU A 81 -5.577 2.090 2.216 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.691 3.157 4.924 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.571 4.336 5.893 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -5.826 3.927 7.165 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -5.922 5.542 5.211 1.00 0.00 C ATOM 0 H LEU A 81 -4.502 4.173 3.826 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.196 1.759 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.134 3.519 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.386 2.433 5.348 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.575 4.637 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.755 4.783 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.368 3.121 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.824 3.585 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.849 6.366 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.924 5.271 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.530 5.850 4.360 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.428 0.261 3.539 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.500 -0.680 2.435 1.00 0.00 C ATOM 1254 C GLU A 82 -6.849 -1.401 2.439 1.00 0.00 C ATOM 1255 O GLU A 82 -7.437 -1.620 3.497 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.344 -1.681 2.491 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.473 -2.731 1.386 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.150 -3.998 1.910 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -6.376 -3.931 2.146 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -4.427 -5.007 2.062 1.00 0.00 O ATOM 0 H GLU A 82 -5.342 -0.168 4.460 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.410 -0.123 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.396 -1.153 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.330 -2.172 3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.050 -2.322 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.485 -2.977 0.996 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.301 -1.751 1.244 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.571 -2.442 1.096 1.00 0.00 C ATOM 1269 C ARG A 83 -8.525 -3.384 -0.108 1.00 0.00 C ATOM 1270 O ARG A 83 -7.619 -3.296 -0.936 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.721 -1.450 0.916 1.00 0.00 C ATOM 1272 CG ARG A 83 -11.006 -1.977 1.559 1.00 0.00 C ATOM 1273 CD ARG A 83 -12.198 -1.813 0.614 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.463 -1.988 1.362 1.00 0.00 N ATOM 1275 CZ ARG A 83 -14.681 -1.882 0.813 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -14.806 -1.601 -0.492 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -15.774 -2.058 1.568 1.00 0.00 N ATOM 0 H ARG A 83 -6.810 -1.569 0.369 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.743 -3.018 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.453 -0.492 1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.889 -1.271 -0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.883 -3.029 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.198 -1.442 2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.173 -0.827 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.138 -2.545 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.404 -2.203 2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.974 -1.468 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.733 -1.520 -0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.679 -2.273 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.701 -1.977 1.150 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.513 -4.265 -0.168 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.597 -5.222 -1.258 1.00 0.00 C ATOM 1293 C LEU A 84 -10.743 -4.826 -2.192 1.00 0.00 C ATOM 1294 O LEU A 84 -11.869 -4.617 -1.745 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.714 -6.647 -0.712 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.084 -7.747 -1.569 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -9.543 -7.639 -3.024 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -7.559 -7.732 -1.446 1.00 0.00 C ATOM 0 H LEU A 84 -10.262 -4.336 0.521 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.682 -5.206 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.254 -6.675 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.771 -6.878 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.428 -8.711 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.081 -8.432 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.628 -7.737 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.248 -6.670 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.136 -8.523 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.177 -6.767 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.276 -7.895 -0.406 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.415 -4.735 -3.473 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.402 -4.368 -4.474 1.00 0.00 C ATOM 1312 C GLU A 85 -11.854 -5.605 -5.252 1.00 0.00 C ATOM 1313 O GLU A 85 -11.206 -6.649 -5.196 1.00 0.00 O ATOM 1314 CB GLU A 85 -10.853 -3.296 -5.418 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.665 -1.965 -4.686 1.00 0.00 C ATOM 1316 CD GLU A 85 -11.803 -0.995 -5.011 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -11.693 -0.323 -6.059 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -12.756 -0.948 -4.205 1.00 0.00 O ATOM 0 H GLU A 85 -9.479 -4.909 -3.840 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.269 -3.947 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.900 -3.625 -5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.536 -3.161 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.627 -2.139 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.711 -1.521 -4.971 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.963 -5.446 -5.960 1.00 0.00 N ATOM 1326 CA GLU A 86 -13.509 -6.537 -6.749 1.00 0.00 C ATOM 1327 C GLU A 86 -12.857 -6.570 -8.133 1.00 0.00 C ATOM 1328 O GLU A 86 -13.550 -6.633 -9.148 1.00 0.00 O ATOM 1329 CB GLU A 86 -15.031 -6.424 -6.862 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.691 -6.516 -5.485 1.00 0.00 C ATOM 1331 CD GLU A 86 -17.097 -5.913 -5.510 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -17.180 -4.666 -5.489 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -18.057 -6.713 -5.549 1.00 0.00 O ATOM 0 H GLU A 86 -13.498 -4.579 -6.004 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.284 -7.475 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.295 -5.477 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.411 -7.217 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.744 -7.559 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.080 -5.993 -4.749 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.533 -6.526 -8.130 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.781 -6.549 -9.372 1.00 0.00 C ATOM 1342 C ASN A 87 -9.399 -7.154 -9.115 1.00 0.00 C ATOM 1343 O ASN A 87 -8.445 -6.860 -9.834 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.583 -5.136 -9.923 1.00 0.00 C ATOM 1345 CG ASN A 87 -11.496 -4.883 -11.124 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.017 -3.995 -11.991 1.00 0.00 O flip ATOM 1347 ND2 ASN A 87 -12.565 -5.456 -11.256 1.00 0.00 N flip ATOM 0 H ASN A 87 -10.962 -6.475 -7.286 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.342 -7.142 -10.094 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.792 -4.405 -9.142 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.542 -4.999 -10.217 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.874 -6.127 -10.553 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.150 -5.264 -12.070 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.335 -7.989 -8.088 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.086 -8.638 -7.727 1.00 0.00 C ATOM 1356 C HIS A 88 -6.991 -7.583 -7.555 1.00 0.00 C ATOM 1357 O HIS A 88 -5.827 -7.837 -7.859 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.718 -9.714 -8.751 1.00 0.00 C ATOM 1359 CG HIS A 88 -7.412 -11.061 -8.142 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -8.210 -11.645 -7.173 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -6.390 -11.933 -8.375 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -7.682 -12.814 -6.844 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -6.553 -12.991 -7.590 1.00 0.00 N ATOM 0 H HIS A 88 -10.128 -8.231 -7.494 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.200 -9.151 -6.772 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.540 -9.825 -9.458 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -6.851 -9.378 -9.320 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.584 -11.788 -9.079 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.076 -13.506 -6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.936 -13.802 -7.551 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.404 -6.422 -7.068 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.472 -5.328 -6.852 1.00 0.00 C ATOM 1373 C TYR A 89 -6.681 -4.695 -5.475 1.00 0.00 C ATOM 1374 O TYR A 89 -7.778 -4.752 -4.921 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.785 -4.289 -7.931 1.00 0.00 C ATOM 1376 CG TYR A 89 -6.052 -4.526 -9.253 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.721 -4.888 -9.249 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.724 -4.377 -10.449 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -4.031 -5.111 -10.494 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.035 -4.600 -11.694 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.723 -4.956 -11.655 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.072 -5.166 -12.830 1.00 0.00 O ATOM 0 H TYR A 89 -8.371 -6.215 -6.817 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.443 -5.684 -6.901 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.859 -4.286 -8.118 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.524 -3.300 -7.555 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.196 -5.004 -8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.766 -4.093 -10.451 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.989 -5.395 -10.505 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.549 -4.487 -12.637 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.690 -5.020 -13.577 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.611 -4.105 -4.962 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.663 -3.461 -3.660 1.00 0.00 C ATOM 1394 C ASN A 90 -5.444 -1.957 -3.831 1.00 0.00 C ATOM 1395 O ASN A 90 -4.856 -1.520 -4.819 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.567 -3.997 -2.737 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.808 -5.469 -2.396 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -5.227 -6.264 -3.221 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.521 -5.787 -1.137 1.00 0.00 N ATOM 0 H ASN A 90 -4.703 -4.059 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.638 -3.668 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.595 -3.886 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.538 -3.408 -1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.648 -6.745 -0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.174 -5.073 -0.497 1.00 0.00 H new ATOM 1406 N THR A 91 -5.927 -1.206 -2.852 1.00 0.00 N ATOM 1407 CA THR A 91 -5.792 0.240 -2.882 1.00 0.00 C ATOM 1408 C THR A 91 -5.107 0.738 -1.607 1.00 0.00 C ATOM 1409 O THR A 91 -4.973 -0.008 -0.639 1.00 0.00 O ATOM 1410 CB THR A 91 -7.182 0.841 -3.099 1.00 0.00 C ATOM 1411 OG1 THR A 91 -7.950 0.342 -2.008 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.879 0.273 -4.337 1.00 0.00 C ATOM 0 H THR A 91 -6.412 -1.572 -2.033 1.00 0.00 H new ATOM 0 HA THR A 91 -5.152 0.560 -3.704 1.00 0.00 H new ATOM 0 HB THR A 91 -7.098 1.924 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.866 0.684 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.861 0.733 -4.445 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.280 0.486 -5.222 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.993 -0.805 -4.228 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.692 1.995 -1.649 1.00 0.00 N ATOM 1421 CA TYR A 92 -4.024 2.601 -0.510 1.00 0.00 C ATOM 1422 C TYR A 92 -4.351 4.093 -0.412 1.00 0.00 C ATOM 1423 O TYR A 92 -4.282 4.813 -1.406 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.524 2.436 -0.763 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.067 0.979 -0.863 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.173 0.146 0.232 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.548 0.499 -2.048 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.742 -1.225 0.138 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -1.118 -0.872 -2.142 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.236 -1.667 -1.044 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.830 -2.961 -1.133 1.00 0.00 O ATOM 0 H TYR A 92 -4.805 2.611 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.346 2.129 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.263 2.952 -1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.974 2.924 0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.579 0.522 1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.464 1.151 -2.905 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.819 -1.887 0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.711 -1.261 -3.064 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.492 -3.136 -2.036 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.700 4.511 0.796 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.038 5.904 1.036 1.00 0.00 C ATOM 1443 C ILE A 93 -4.269 6.407 2.259 1.00 0.00 C ATOM 1444 O ILE A 93 -4.000 5.643 3.185 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.554 6.075 1.150 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.237 5.828 -0.197 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -6.909 7.446 1.729 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.721 5.506 -0.009 1.00 0.00 C ATOM 0 H ILE A 93 -4.756 3.910 1.618 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.733 6.521 0.191 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.931 5.324 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.130 6.709 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.745 5.003 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.992 7.542 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.471 7.546 2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.517 8.228 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.182 5.335 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.824 4.611 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.215 6.343 0.485 1.00 0.00 H new ATOM 1460 N SER A 94 -3.937 7.689 2.223 1.00 0.00 N ATOM 1461 CA SER A 94 -3.204 8.303 3.317 1.00 0.00 C ATOM 1462 C SER A 94 -4.143 8.560 4.497 1.00 0.00 C ATOM 1463 O SER A 94 -5.276 9.001 4.309 1.00 0.00 O ATOM 1464 CB SER A 94 -2.541 9.608 2.872 1.00 0.00 C ATOM 1465 OG SER A 94 -1.874 10.262 3.948 1.00 0.00 O ATOM 0 H SER A 94 -4.162 8.319 1.453 1.00 0.00 H new ATOM 0 HA SER A 94 -2.418 7.616 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.826 9.398 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.296 10.274 2.455 1.00 0.00 H new ATOM 0 HG SER A 94 -2.130 11.208 3.965 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.638 8.274 5.688 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.418 8.469 6.899 1.00 0.00 C ATOM 1473 C LYS A 95 -4.747 9.955 7.055 1.00 0.00 C ATOM 1474 O LYS A 95 -5.883 10.370 6.831 1.00 0.00 O ATOM 1475 CB LYS A 95 -3.693 7.869 8.105 1.00 0.00 C ATOM 1476 CG LYS A 95 -4.662 7.086 8.994 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.734 7.695 10.395 1.00 0.00 C ATOM 1478 CE LYS A 95 -3.914 6.874 11.393 1.00 0.00 C ATOM 1479 NZ LYS A 95 -4.277 7.233 12.782 1.00 0.00 N ATOM 0 H LYS A 95 -2.698 7.909 5.841 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.367 7.938 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.895 7.210 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.224 8.664 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.654 7.084 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.340 6.047 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.363 8.719 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.773 7.740 10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.089 5.811 11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.851 7.051 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.711 6.667 13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.088 8.243 12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.287 7.042 12.937 1.00 0.00 H new ATOM 1493 N LYS A 96 -3.732 10.716 7.437 1.00 0.00 N ATOM 1494 CA LYS A 96 -3.899 12.147 7.626 1.00 0.00 C ATOM 1495 C LYS A 96 -4.702 12.720 6.457 1.00 0.00 C ATOM 1496 O LYS A 96 -5.401 13.721 6.611 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.541 12.822 7.829 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.494 13.569 9.164 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.071 14.026 9.487 1.00 0.00 C ATOM 1500 CE LYS A 96 -1.080 15.355 10.244 1.00 0.00 C ATOM 1501 NZ LYS A 96 0.202 16.069 10.054 1.00 0.00 N ATOM 0 H LYS A 96 -2.791 10.369 7.621 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.468 12.348 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.750 12.072 7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.351 13.518 7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.157 14.433 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.861 12.921 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.568 13.266 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.501 14.133 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.904 15.975 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.248 15.174 11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.179 16.969 10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.983 15.482 10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.347 16.258 9.042 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.576 12.062 5.314 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.282 12.494 4.120 1.00 0.00 C ATOM 1517 C HIS A 97 -6.163 11.355 3.604 1.00 0.00 C ATOM 1518 O HIS A 97 -6.093 10.993 2.431 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.300 13.008 3.065 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.114 13.747 3.638 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.276 13.426 4.665 1.00 0.00 N flip ATOM 1522 CD2 HIS A 97 -2.681 14.966 3.146 1.00 0.00 C flip ATOM 1523 CE1 HIS A 97 -1.379 14.396 4.793 1.00 0.00 C flip ATOM 1524 NE2 HIS A 97 -1.629 15.352 3.852 1.00 0.00 N flip ATOM 0 H HIS A 97 -3.995 11.233 5.190 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.936 13.331 4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -3.940 12.164 2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.831 13.669 2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.125 15.510 2.326 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.583 14.424 5.522 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.099 16.213 3.716 1.00 0.00 H new ATOM 1532 N ALA A 98 -6.973 10.821 4.507 1.00 0.00 N ATOM 1533 CA ALA A 98 -7.867 9.730 4.158 1.00 0.00 C ATOM 1534 C ALA A 98 -9.261 10.291 3.871 1.00 0.00 C ATOM 1535 O ALA A 98 -10.000 9.741 3.055 1.00 0.00 O ATOM 1536 CB ALA A 98 -7.876 8.696 5.286 1.00 0.00 C ATOM 0 H ALA A 98 -7.029 11.124 5.479 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.522 9.225 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.547 7.878 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.868 8.307 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.220 9.166 6.208 1.00 0.00 H new ATOM 1542 N GLU A 99 -9.579 11.379 4.557 1.00 0.00 N ATOM 1543 CA GLU A 99 -10.872 12.021 4.385 1.00 0.00 C ATOM 1544 C GLU A 99 -10.930 12.747 3.040 1.00 0.00 C ATOM 1545 O GLU A 99 -12.011 12.970 2.497 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.164 12.981 5.540 1.00 0.00 C ATOM 1547 CG GLU A 99 -10.649 14.387 5.227 1.00 0.00 C ATOM 1548 CD GLU A 99 -10.613 15.251 6.490 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -9.720 14.996 7.327 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -11.479 16.147 6.589 1.00 0.00 O ATOM 0 H GLU A 99 -8.964 11.832 5.233 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.643 11.250 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.237 13.016 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.694 12.612 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -9.650 14.325 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.290 14.855 4.480 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.753 13.095 2.540 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.656 13.792 1.269 1.00 0.00 C ATOM 1559 C LYS A 100 -9.796 12.782 0.128 1.00 0.00 C ATOM 1560 O LYS A 100 -9.721 13.150 -1.044 1.00 0.00 O ATOM 1561 CB LYS A 100 -8.369 14.616 1.206 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.987 15.143 2.591 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.253 16.481 2.485 1.00 0.00 C ATOM 1564 CE LYS A 100 -7.887 17.529 3.402 1.00 0.00 C ATOM 1565 NZ LYS A 100 -7.556 18.894 2.936 1.00 0.00 N ATOM 0 H LYS A 100 -8.858 12.907 2.993 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.471 14.509 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.559 14.003 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.501 15.452 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.884 15.263 3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.353 14.416 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.205 16.347 2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.278 16.833 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.969 17.397 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.531 17.391 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.994 19.593 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.524 19.022 2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.917 19.028 1.970 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.996 11.529 0.510 1.00 0.00 N ATOM 1580 CA ASN A 101 -10.146 10.464 -0.467 1.00 0.00 C ATOM 1581 C ASN A 101 -9.061 10.602 -1.537 1.00 0.00 C ATOM 1582 O ASN A 101 -9.362 10.850 -2.703 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.507 10.542 -1.162 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.554 11.183 -0.248 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.802 10.739 0.861 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -13.151 12.248 -0.773 1.00 0.00 N ATOM 0 H ASN A 101 -10.058 11.228 1.483 1.00 0.00 H new ATOM 0 HA ASN A 101 -10.062 9.512 0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.417 11.122 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.832 9.541 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.864 12.747 -0.241 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.896 12.567 -1.708 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.821 10.434 -1.101 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.690 10.536 -2.007 1.00 0.00 C ATOM 1595 C TRP A 102 -6.065 9.146 -2.142 1.00 0.00 C ATOM 1596 O TRP A 102 -5.841 8.462 -1.144 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.695 11.594 -1.525 1.00 0.00 C ATOM 1598 CG TRP A 102 -6.241 13.023 -1.558 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -7.407 13.449 -2.064 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -5.592 14.204 -1.042 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -7.556 14.812 -1.912 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -6.417 15.286 -1.271 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -4.349 14.353 -0.403 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -6.090 16.594 -0.893 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -4.036 15.666 -0.031 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.856 16.766 -0.254 1.00 0.00 C ATOM 0 H TRP A 102 -7.575 10.228 -0.133 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.015 10.869 -2.993 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.392 11.355 -0.506 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.799 11.544 -2.144 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.138 12.806 -2.532 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -8.355 15.369 -2.214 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.688 13.520 -0.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.753 17.425 -1.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -3.091 15.836 0.464 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.543 17.749 0.064 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.801 8.769 -3.384 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.206 7.472 -3.662 1.00 0.00 C ATOM 1619 C PHE A 103 -3.787 7.627 -4.213 1.00 0.00 C ATOM 1620 O PHE A 103 -3.483 8.608 -4.889 1.00 0.00 O ATOM 1621 CB PHE A 103 -6.080 6.798 -4.721 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.505 6.494 -4.252 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -8.467 7.452 -4.336 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.808 5.267 -3.750 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.789 7.170 -3.899 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.130 4.986 -3.314 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.092 5.943 -3.398 1.00 0.00 C ATOM 0 H PHE A 103 -5.988 9.338 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.149 6.884 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.127 7.440 -5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.604 5.868 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.226 8.426 -4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.044 4.507 -3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -10.553 7.930 -3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.371 4.012 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.097 5.728 -3.067 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.956 6.643 -3.902 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.576 6.657 -4.356 1.00 0.00 C ATOM 1639 C VAL A 104 -1.547 6.592 -5.885 1.00 0.00 C ATOM 1640 O VAL A 104 -1.658 7.617 -6.555 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.795 5.520 -3.695 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.617 5.415 -4.274 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.753 5.696 -2.175 1.00 0.00 C ATOM 0 H VAL A 104 -3.212 5.831 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.086 7.584 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.315 4.587 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.150 4.599 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.558 5.221 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.151 6.350 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.192 4.875 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.268 6.641 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.769 5.698 -1.781 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.396 5.377 -6.391 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.350 5.165 -7.828 1.00 0.00 C ATOM 1655 C GLY A 105 -0.289 6.055 -8.480 1.00 0.00 C ATOM 1656 O GLY A 105 0.259 6.948 -7.835 1.00 0.00 O ATOM 0 H GLY A 105 -1.304 4.529 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.131 4.118 -8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.326 5.379 -8.262 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.032 5.780 -9.750 1.00 0.00 N ATOM 1661 CA LEU A 106 0.953 6.544 -10.496 1.00 0.00 C ATOM 1662 C LEU A 106 0.404 6.850 -11.892 1.00 0.00 C ATOM 1663 O LEU A 106 -0.118 5.963 -12.565 1.00 0.00 O ATOM 1664 CB LEU A 106 2.298 5.815 -10.511 1.00 0.00 C ATOM 1665 CG LEU A 106 2.894 5.480 -9.142 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.496 4.073 -9.135 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.910 6.540 -8.712 1.00 0.00 C ATOM 0 H LEU A 106 -0.489 5.039 -10.281 1.00 0.00 H new ATOM 0 HA LEU A 106 1.141 7.501 -10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.180 4.887 -11.071 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.015 6.428 -11.057 1.00 0.00 H new ATOM 0 HG LEU A 106 2.089 5.489 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.913 3.860 -8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.719 3.344 -9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.285 4.011 -9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.318 6.278 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.718 6.587 -9.442 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.419 7.511 -8.651 1.00 0.00 H new ATOM 1679 N LYS A 107 0.542 8.108 -12.284 1.00 0.00 N ATOM 1680 CA LYS A 107 0.067 8.542 -13.586 1.00 0.00 C ATOM 1681 C LYS A 107 0.608 7.598 -14.662 1.00 0.00 C ATOM 1682 O LYS A 107 1.336 6.655 -14.357 1.00 0.00 O ATOM 1683 CB LYS A 107 0.419 10.011 -13.823 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.311 10.918 -12.830 1.00 0.00 C ATOM 1685 CD LYS A 107 -0.689 12.250 -13.480 1.00 0.00 C ATOM 1686 CE LYS A 107 -1.439 13.148 -12.494 1.00 0.00 C ATOM 1687 NZ LYS A 107 -2.046 14.299 -13.199 1.00 0.00 N ATOM 0 H LYS A 107 0.976 8.840 -11.722 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.021 8.488 -13.632 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.496 10.151 -13.725 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.152 10.293 -14.842 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.209 10.418 -12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.324 11.100 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.211 12.757 -13.827 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.311 12.068 -14.357 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.215 12.574 -11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.754 13.505 -11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.551 14.898 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.299 14.856 -13.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.715 13.953 -13.916 1.00 0.00 H new ATOM 1701 N LYS A 108 0.231 7.885 -15.900 1.00 0.00 N ATOM 1702 CA LYS A 108 0.670 7.074 -17.023 1.00 0.00 C ATOM 1703 C LYS A 108 2.034 7.572 -17.504 1.00 0.00 C ATOM 1704 O LYS A 108 2.651 6.959 -18.374 1.00 0.00 O ATOM 1705 CB LYS A 108 -0.398 7.053 -18.118 1.00 0.00 C ATOM 1706 CG LYS A 108 -0.781 5.617 -18.483 1.00 0.00 C ATOM 1707 CD LYS A 108 0.083 5.095 -19.633 1.00 0.00 C ATOM 1708 CE LYS A 108 -0.558 5.408 -20.986 1.00 0.00 C ATOM 1709 NZ LYS A 108 0.247 4.831 -22.086 1.00 0.00 N ATOM 0 H LYS A 108 -0.373 8.668 -16.150 1.00 0.00 H new ATOM 0 HA LYS A 108 0.800 6.036 -16.716 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -1.282 7.594 -17.780 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.027 7.570 -19.003 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.662 4.972 -17.612 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.833 5.578 -18.767 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.074 5.547 -19.583 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.218 4.018 -19.531 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.570 5.005 -21.018 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.641 6.487 -21.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.202 5.052 -22.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.205 5.235 -22.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.304 3.799 -21.970 1.00 0.00 H new ATOM 1723 N ASN A 109 2.466 8.678 -16.916 1.00 0.00 N ATOM 1724 CA ASN A 109 3.746 9.265 -17.273 1.00 0.00 C ATOM 1725 C ASN A 109 4.844 8.653 -16.401 1.00 0.00 C ATOM 1726 O ASN A 109 5.983 9.118 -16.414 1.00 0.00 O ATOM 1727 CB ASN A 109 3.743 10.777 -17.040 1.00 0.00 C ATOM 1728 CG ASN A 109 4.725 11.479 -17.979 1.00 0.00 C ATOM 1729 OD1 ASN A 109 4.306 12.664 -18.412 1.00 0.00 O flip ATOM 1730 ND2 ASN A 109 5.793 10.977 -18.291 1.00 0.00 N flip ATOM 0 H ASN A 109 1.952 9.183 -16.194 1.00 0.00 H new ATOM 0 HA ASN A 109 3.926 9.064 -18.329 1.00 0.00 H new ATOM 0 HB2 ASN A 109 2.739 11.171 -17.198 1.00 0.00 H new ATOM 0 HB3 ASN A 109 4.010 10.989 -16.005 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.054 10.063 -17.922 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.425 11.472 -18.921 1.00 0.00 H new ATOM 1737 N GLY A 110 4.463 7.620 -15.664 1.00 0.00 N ATOM 1738 CA GLY A 110 5.402 6.941 -14.787 1.00 0.00 C ATOM 1739 C GLY A 110 5.751 7.811 -13.577 1.00 0.00 C ATOM 1740 O GLY A 110 6.898 7.832 -13.134 1.00 0.00 O ATOM 0 H GLY A 110 3.518 7.237 -15.656 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.973 5.998 -14.449 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.310 6.698 -15.339 1.00 0.00 H new ATOM 1744 N SER A 111 4.740 8.507 -13.078 1.00 0.00 N ATOM 1745 CA SER A 111 4.926 9.376 -11.929 1.00 0.00 C ATOM 1746 C SER A 111 3.768 9.197 -10.945 1.00 0.00 C ATOM 1747 O SER A 111 2.748 8.600 -11.283 1.00 0.00 O ATOM 1748 CB SER A 111 5.036 10.841 -12.358 1.00 0.00 C ATOM 1749 OG SER A 111 3.767 11.394 -12.698 1.00 0.00 O ATOM 0 H SER A 111 3.790 8.487 -13.448 1.00 0.00 H new ATOM 0 HA SER A 111 5.859 9.098 -11.438 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.481 11.423 -11.551 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.707 10.919 -13.214 1.00 0.00 H new ATOM 0 HG SER A 111 3.879 12.330 -12.965 1.00 0.00 H new ATOM 1755 N CYS A 112 3.965 9.726 -9.746 1.00 0.00 N ATOM 1756 CA CYS A 112 2.950 9.632 -8.711 1.00 0.00 C ATOM 1757 C CYS A 112 1.747 10.473 -9.140 1.00 0.00 C ATOM 1758 O CYS A 112 1.907 11.603 -9.600 1.00 0.00 O ATOM 1759 CB CYS A 112 3.492 10.065 -7.347 1.00 0.00 C ATOM 1760 SG CYS A 112 4.989 9.096 -6.932 1.00 0.00 S ATOM 0 H CYS A 112 4.813 10.221 -9.469 1.00 0.00 H new ATOM 0 HA CYS A 112 2.642 8.593 -8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 112 3.730 11.129 -7.362 1.00 0.00 H new ATOM 0 HB3 CYS A 112 2.730 9.919 -6.581 1.00 0.00 H new ATOM 0 HG CYS A 112 6.049 9.776 -7.253 1.00 0.00 H new ATOM 1766 N LYS A 113 0.568 9.891 -8.974 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.662 10.573 -9.338 1.00 0.00 C ATOM 1768 C LYS A 113 -1.188 11.347 -8.128 1.00 0.00 C ATOM 1769 O LYS A 113 -1.357 10.780 -7.049 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.671 9.582 -9.921 1.00 0.00 C ATOM 1771 CG LYS A 113 -3.011 10.266 -10.203 1.00 0.00 C ATOM 1772 CD LYS A 113 -3.824 9.476 -11.230 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.809 8.530 -10.539 1.00 0.00 C ATOM 1774 NZ LYS A 113 -5.893 9.298 -9.885 1.00 0.00 N ATOM 0 H LYS A 113 0.439 8.954 -8.592 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.475 11.302 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.276 9.155 -10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.819 8.757 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.579 10.358 -9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.837 11.277 -10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.368 10.165 -11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.152 8.903 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.233 7.840 -11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.284 7.927 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.175 8.820 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.555 10.257 -9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.711 9.357 -10.524 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.434 12.630 -8.348 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.938 13.487 -7.288 1.00 0.00 C ATOM 1790 C ARG A 114 -2.935 12.722 -6.415 1.00 0.00 C ATOM 1791 O ARG A 114 -3.573 11.778 -6.877 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.623 14.729 -7.864 1.00 0.00 C ATOM 1793 CG ARG A 114 -1.702 15.948 -7.788 1.00 0.00 C ATOM 1794 CD ARG A 114 -1.123 16.285 -9.163 1.00 0.00 C ATOM 1795 NE ARG A 114 -1.790 17.485 -9.713 1.00 0.00 N ATOM 1796 CZ ARG A 114 -1.503 18.741 -9.343 1.00 0.00 C ATOM 1797 NH1 ARG A 114 -0.558 18.967 -8.420 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -2.160 19.769 -9.896 1.00 0.00 N ATOM 0 H ARG A 114 -1.294 13.097 -9.244 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.088 13.802 -6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.904 14.545 -8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.543 14.929 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -2.257 16.804 -7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.891 15.752 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.050 16.460 -9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -1.258 15.442 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.514 17.348 -10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -0.058 18.184 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.339 19.922 -8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.879 19.596 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.942 20.725 -9.614 1.00 0.00 H new ATOM 1812 N GLY A 115 -3.036 13.158 -5.168 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.944 12.526 -4.226 1.00 0.00 C ATOM 1814 C GLY A 115 -5.382 12.999 -4.448 1.00 0.00 C ATOM 1815 O GLY A 115 -6.300 12.186 -4.539 1.00 0.00 O ATOM 0 H GLY A 115 -2.504 13.941 -4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.893 11.443 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.635 12.757 -3.207 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.537 14.348 -4.531 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.847 14.939 -4.741 1.00 0.00 C ATOM 1821 C PRO A 116 -7.302 14.763 -6.191 1.00 0.00 C ATOM 1822 O PRO A 116 -8.348 15.278 -6.584 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.689 16.397 -4.341 1.00 0.00 C ATOM 1824 CG PRO A 116 -5.196 16.677 -4.366 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.472 15.342 -4.428 1.00 0.00 C ATOM 0 HA PRO A 116 -7.625 14.459 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.221 17.051 -5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.103 16.577 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.937 17.292 -5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.897 17.232 -3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.801 15.294 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.863 15.180 -3.538 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.494 14.035 -6.947 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.801 13.784 -8.345 1.00 0.00 C ATOM 1835 C ARG A 117 -7.034 12.290 -8.578 1.00 0.00 C ATOM 1836 O ARG A 117 -6.592 11.738 -9.584 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.666 14.263 -9.252 1.00 0.00 C ATOM 1838 CG ARG A 117 -5.517 15.785 -9.187 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.781 16.420 -10.554 1.00 0.00 C ATOM 1840 NE ARG A 117 -5.516 17.875 -10.495 1.00 0.00 N ATOM 1841 CZ ARG A 117 -6.352 18.770 -9.951 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -7.511 18.364 -9.415 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -6.029 20.070 -9.942 1.00 0.00 N ATOM 0 H ARG A 117 -5.627 13.611 -6.618 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.707 14.339 -8.590 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.731 13.789 -8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.863 13.957 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -6.213 16.191 -8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.513 16.042 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -5.145 15.956 -11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.814 16.242 -10.854 1.00 0.00 H new ATOM 0 HE ARG A 117 -4.642 18.218 -10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -7.757 17.374 -9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -8.148 19.045 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -5.146 20.379 -10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -6.666 20.751 -9.528 1.00 0.00 H new ATOM 1857 N THR A 118 -7.730 11.678 -7.631 1.00 0.00 N ATOM 1858 CA THR A 118 -8.027 10.258 -7.720 1.00 0.00 C ATOM 1859 C THR A 118 -9.531 10.018 -7.570 1.00 0.00 C ATOM 1860 O THR A 118 -10.270 10.917 -7.170 1.00 0.00 O ATOM 1861 CB THR A 118 -7.188 9.532 -6.667 1.00 0.00 C ATOM 1862 OG1 THR A 118 -7.365 10.310 -5.486 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.688 9.621 -6.951 1.00 0.00 C ATOM 0 H THR A 118 -8.097 12.139 -6.798 1.00 0.00 H new ATOM 0 HA THR A 118 -7.761 9.859 -8.699 1.00 0.00 H new ATOM 0 HB THR A 118 -7.487 8.485 -6.623 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.737 11.062 -5.492 1.00 0.00 H new ATOM 0 HG21 THR A 118 -5.138 9.090 -6.174 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.474 9.170 -7.920 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.381 10.667 -6.962 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.939 8.802 -7.899 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.342 8.432 -7.806 1.00 0.00 C ATOM 1873 C HIS A 119 -11.475 6.909 -7.851 1.00 0.00 C ATOM 1874 O HIS A 119 -10.475 6.197 -7.936 1.00 0.00 O ATOM 1875 CB HIS A 119 -12.161 9.131 -8.893 1.00 0.00 C ATOM 1876 CG HIS A 119 -13.637 9.220 -8.588 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -14.609 9.181 -9.572 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -14.296 9.344 -7.400 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -15.796 9.279 -8.991 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -15.600 9.381 -7.646 1.00 0.00 N ATOM 0 H HIS A 119 -9.323 8.059 -8.230 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.748 8.769 -6.853 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.769 10.138 -9.038 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.026 8.598 -9.834 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -13.835 9.402 -6.425 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -16.751 9.278 -9.495 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -16.334 9.471 -6.944 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.718 6.454 -7.793 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.995 5.028 -7.826 1.00 0.00 C ATOM 1890 C TYR A 120 -13.291 4.559 -9.252 1.00 0.00 C ATOM 1891 O TYR A 120 -14.001 5.235 -9.997 1.00 0.00 O ATOM 1892 CB TYR A 120 -14.242 4.820 -6.965 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.017 5.074 -5.473 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.257 4.193 -4.730 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -14.574 6.183 -4.870 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -13.045 4.432 -3.326 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -14.362 6.422 -3.465 1.00 0.00 C ATOM 1898 CZ TYR A 120 -13.608 5.534 -2.763 1.00 0.00 C ATOM 1899 OH TYR A 120 -13.408 5.760 -1.437 1.00 0.00 O ATOM 0 H TYR A 120 -13.545 7.048 -7.723 1.00 0.00 H new ATOM 0 HA TYR A 120 -12.137 4.463 -7.463 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -15.031 5.482 -7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.598 3.799 -7.100 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.821 3.325 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -15.169 6.872 -5.451 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -12.452 3.751 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -14.792 7.286 -2.981 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.868 6.584 -1.173 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.733 3.407 -9.591 1.00 0.00 N ATOM 1910 CA GLY A 121 -12.928 2.840 -10.914 1.00 0.00 C ATOM 1911 C GLY A 121 -11.693 3.057 -11.791 1.00 0.00 C ATOM 1912 O GLY A 121 -11.618 2.536 -12.903 1.00 0.00 O ATOM 0 H GLY A 121 -12.145 2.850 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.135 1.773 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.798 3.298 -11.385 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.756 3.826 -11.258 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.528 4.118 -11.978 1.00 0.00 C ATOM 1918 C GLN A 122 -8.549 2.949 -11.853 1.00 0.00 C ATOM 1919 O GLN A 122 -8.684 2.113 -10.961 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.895 5.418 -11.478 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.841 6.603 -11.685 1.00 0.00 C ATOM 1922 CD GLN A 122 -9.058 7.900 -11.895 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -9.110 8.737 -10.862 1.00 0.00 O flip ATOM 1924 NE2 GLN A 122 -8.446 8.126 -12.926 1.00 0.00 N flip ATOM 0 H GLN A 122 -10.822 4.256 -10.336 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.771 4.252 -13.032 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.650 5.324 -10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.959 5.598 -12.007 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.480 6.416 -12.548 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.496 6.706 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -8.447 7.440 -13.681 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.933 9.001 -13.033 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.585 2.927 -12.762 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.583 1.874 -12.765 1.00 0.00 C ATOM 1935 C LYS A 123 -5.342 2.354 -12.010 1.00 0.00 C ATOM 1936 O LYS A 123 -4.308 1.688 -12.020 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.294 1.414 -14.195 1.00 0.00 C ATOM 1938 CG LYS A 123 -5.564 0.069 -14.201 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.530 -1.080 -13.905 1.00 0.00 C ATOM 1940 CE LYS A 123 -6.930 -1.806 -15.190 1.00 0.00 C ATOM 1941 NZ LYS A 123 -8.392 -2.032 -15.224 1.00 0.00 N ATOM 0 H LYS A 123 -7.476 3.621 -13.501 1.00 0.00 H new ATOM 0 HA LYS A 123 -6.954 0.993 -12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.229 1.327 -14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.689 2.163 -14.706 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.092 -0.088 -15.171 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -4.767 0.080 -13.457 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.063 -1.784 -13.216 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -7.420 -0.693 -13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.627 -1.218 -16.056 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -6.407 -2.760 -15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.647 -2.526 -16.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.673 -2.612 -14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.886 -1.117 -15.185 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.485 3.507 -11.373 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.388 4.085 -10.615 1.00 0.00 C ATOM 1957 C ALA A 124 -4.470 3.606 -9.164 1.00 0.00 C ATOM 1958 O ALA A 124 -3.483 3.127 -8.609 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.435 5.610 -10.730 1.00 0.00 C ATOM 0 H ALA A 124 -6.344 4.057 -11.366 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.429 3.758 -11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.612 6.043 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.344 5.899 -11.777 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.382 5.976 -10.334 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.655 3.753 -8.592 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.879 3.342 -7.216 1.00 0.00 C ATOM 1967 C ILE A 125 -5.720 1.824 -7.110 1.00 0.00 C ATOM 1968 O ILE A 125 -5.406 1.303 -6.041 1.00 0.00 O ATOM 1969 CB ILE A 125 -7.230 3.856 -6.716 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.351 2.872 -7.058 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.516 5.260 -7.253 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.723 3.476 -6.751 1.00 0.00 C ATOM 0 H ILE A 125 -6.471 4.151 -9.056 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.132 3.788 -6.559 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.186 3.930 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.295 2.604 -8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.219 1.952 -6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.482 5.601 -6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.736 5.944 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.533 5.236 -8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.502 2.756 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.784 3.720 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.862 4.382 -7.341 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.944 1.158 -8.233 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.830 -0.290 -8.280 1.00 0.00 C ATOM 1986 C LEU A 126 -4.351 -0.682 -8.252 1.00 0.00 C ATOM 1987 O LEU A 126 -3.641 -0.509 -9.241 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.592 -0.849 -9.483 1.00 0.00 C ATOM 1989 CG LEU A 126 -8.094 -0.561 -9.518 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.710 -1.023 -10.841 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.799 -1.181 -8.311 1.00 0.00 C ATOM 0 H LEU A 126 -6.204 1.594 -9.118 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.295 -0.737 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.144 -0.446 -10.391 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.449 -1.929 -9.509 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.237 0.518 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.778 -0.807 -10.840 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.234 -0.496 -11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.557 -2.096 -10.959 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.866 -0.961 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.650 -2.261 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.385 -0.763 -7.393 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.931 -1.201 -7.108 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.550 -1.619 -6.938 1.00 0.00 C ATOM 2005 C PHE A 127 -2.468 -3.094 -6.539 1.00 0.00 C ATOM 2006 O PHE A 127 -3.334 -3.596 -5.823 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.959 -0.765 -5.814 1.00 0.00 C ATOM 2008 CG PHE A 127 -1.041 0.357 -6.302 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -1.200 0.871 -7.551 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -0.064 0.839 -5.487 1.00 0.00 C ATOM 2011 CE1 PHE A 127 -0.347 1.913 -8.004 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.788 1.880 -5.940 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.629 2.395 -7.189 1.00 0.00 C ATOM 0 H PHE A 127 -4.523 -1.342 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 127 -2.006 -1.493 -7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.774 -0.328 -5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.399 -1.410 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -1.975 0.487 -8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.063 0.430 -4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.474 2.322 -8.995 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.563 2.263 -5.293 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.278 3.187 -7.533 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.420 -3.747 -7.019 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.214 -5.154 -6.721 1.00 0.00 C ATOM 2025 C LEU A 128 0.200 -5.352 -6.170 1.00 0.00 C ATOM 2026 O LEU A 128 1.182 -5.088 -6.861 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.521 -6.012 -7.949 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.535 -7.140 -7.743 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -2.729 -7.944 -9.030 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.132 -8.030 -6.566 1.00 0.00 C ATOM 0 H LEU A 128 -0.704 -3.328 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.907 -5.485 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.889 -5.359 -8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.588 -6.449 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.498 -6.694 -7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.454 -8.739 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.094 -7.286 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.777 -8.381 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.869 -8.823 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -1.154 -8.470 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -2.086 -7.431 -5.656 1.00 0.00 H new ATOM 2042 N PRO A 129 0.259 -5.829 -4.897 1.00 0.00 N ATOM 2043 CA PRO A 129 1.536 -6.066 -4.246 1.00 0.00 C ATOM 2044 C PRO A 129 2.201 -7.332 -4.788 1.00 0.00 C ATOM 2045 O PRO A 129 1.652 -8.426 -4.668 1.00 0.00 O ATOM 2046 CB PRO A 129 1.211 -6.153 -2.764 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.282 -6.426 -2.680 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.883 -6.153 -4.048 1.00 0.00 C ATOM 0 HA PRO A 129 2.259 -5.273 -4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 129 1.781 -6.949 -2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.468 -5.225 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.465 -7.458 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.745 -5.789 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.422 -7.022 -4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.595 -5.328 -4.010 1.00 0.00 H new ATOM 2056 N LEU A 130 3.375 -7.142 -5.373 1.00 0.00 N ATOM 2057 CA LEU A 130 4.121 -8.256 -5.933 1.00 0.00 C ATOM 2058 C LEU A 130 5.219 -8.673 -4.953 1.00 0.00 C ATOM 2059 O LEU A 130 5.745 -7.843 -4.214 1.00 0.00 O ATOM 2060 CB LEU A 130 4.643 -7.903 -7.328 1.00 0.00 C ATOM 2061 CG LEU A 130 3.605 -7.903 -8.452 1.00 0.00 C ATOM 2062 CD1 LEU A 130 2.963 -9.283 -8.606 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.561 -6.806 -8.234 1.00 0.00 C ATOM 0 H LEU A 130 3.828 -6.233 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 130 3.471 -9.120 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.101 -6.915 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.432 -8.609 -7.589 1.00 0.00 H new ATOM 0 HG LEU A 130 4.116 -7.680 -9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.229 -9.255 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.733 -10.018 -8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.469 -9.560 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.835 -6.828 -9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.050 -6.974 -7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.054 -5.834 -8.213 1.00 0.00 H new ATOM 2075 N PRO A 131 5.541 -9.994 -4.980 1.00 0.00 N ATOM 2076 CA PRO A 131 6.567 -10.532 -4.103 1.00 0.00 C ATOM 2077 C PRO A 131 7.965 -10.146 -4.593 1.00 0.00 C ATOM 2078 O PRO A 131 8.223 -10.133 -5.795 1.00 0.00 O ATOM 2079 CB PRO A 131 6.333 -12.034 -4.099 1.00 0.00 C ATOM 2080 CG PRO A 131 5.488 -12.328 -5.327 1.00 0.00 C ATOM 2081 CD PRO A 131 4.940 -11.007 -5.842 1.00 0.00 C ATOM 0 HA PRO A 131 6.509 -10.130 -3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.278 -12.576 -4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.821 -12.347 -3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 131 6.087 -12.818 -6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.673 -13.008 -5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.208 -10.848 -6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.852 -10.981 -5.785 1.00 0.00 H new ATOM 2089 N VAL A 132 8.829 -9.841 -3.636 1.00 0.00 N ATOM 2090 CA VAL A 132 10.193 -9.456 -3.954 1.00 0.00 C ATOM 2091 C VAL A 132 11.119 -9.885 -2.814 1.00 0.00 C ATOM 2092 O VAL A 132 10.658 -10.175 -1.712 1.00 0.00 O ATOM 2093 CB VAL A 132 10.259 -7.955 -4.245 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.636 -7.169 -2.988 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.231 -7.661 -5.389 1.00 0.00 C ATOM 0 H VAL A 132 8.611 -9.853 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 132 10.532 -9.964 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 132 9.267 -7.630 -4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.676 -6.105 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.889 -7.342 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.612 -7.499 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.259 -6.587 -5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.228 -8.009 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 132 10.899 -8.177 -6.290 1.00 0.00 H new