USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 564 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 37 THR OG1 : rot -74:sc= 0.0798 USER MOD Set 1.2: A 40 ASN : amide:sc=-0.00404 K(o=0.076,f=0.95) USER MOD Set 2.1: A 24 HIS : no HD1:sc=-0.00799 K(o=-3.8,f=-2.4) USER MOD Set 2.2: A 49 ASN : amide:sc= -3.83! C(o=-3.8!,f=-2.4!) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.624! C(o=-5.5!,f=-9.9!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -4.83! C(o=-5.5!,f=-11!) USER MOD Set 4.1: A 20 HIS : no HD1:sc= -1.42 K(o=-1.9,f=-9.1!) USER MOD Set 4.2: A 67 ASN : amide:sc= -0.914 K(o=-1.9,f=-0.88) USER MOD Set 4.3: A 69 GLN : amide:sc= 0.388 K(o=-1.9,f=-6.1!) USER MOD Set 5.1: A 3 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0) USER MOD Set 5.2: A 8 ASN : amide:sc= 0.836 K(o=2,f=-6.5!) USER MOD Single : A 1 CYS N :NH3+ -153:sc= 0.164 (180deg=-0.0125) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.11 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -4.67! C(o=-4.7!,f=-12!) USER MOD Single : A 16 THR OG1 : rot 125:sc= 0.165 USER MOD Single : A 18 SER OG : rot 104:sc= 0.384 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00988 USER MOD Single : A 28 GLN : amide:sc= 0.531 K(o=0.53,f=-0.34) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.207 K(o=-0.21,f=-0.92) USER MOD Single : A 32 THR OG1 : rot 56:sc= 0.133 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= 1.14 (180deg=1.05) USER MOD Single : A 45 ASN : amide:sc= -1.85! K(o=-1.9!,f=-0.023) USER MOD Single : A 50 TYR OH : rot 108:sc= 0.121 USER MOD Single : A 53 ASN : amide:sc= 2.59 K(o=2.6,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ -108:sc= 2.25 (180deg=-1.03) USER MOD Single : A 64 HIS : no HD1:sc= -0.968 K(o=-0.97,f=-1.5) USER MOD Single : A 65 THR OG1 : rot -96:sc= 0.456 USER MOD Single : A 66 THR OG1 : rot 129:sc= -2.19! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc=-0.000641 USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= -0.0783 (180deg=-0.508) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 11.160 26.524 -21.074 1.00 0.00 N ATOM 56 CA CYS A 1 11.824 26.510 -19.786 1.00 0.00 C ATOM 57 C CYS A 1 10.871 26.002 -18.723 1.00 0.00 C ATOM 58 O CYS A 1 9.666 25.928 -18.945 1.00 0.00 O ATOM 59 CB CYS A 1 12.339 27.904 -19.422 1.00 0.00 C ATOM 60 SG CYS A 1 11.057 29.198 -19.371 1.00 0.00 S ATOM 0 H1 CYS A 1 11.866 26.419 -21.830 1.00 0.00 H new ATOM 0 H2 CYS A 1 10.481 25.738 -21.123 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.655 27.425 -21.195 1.00 0.00 H new ATOM 0 HA CYS A 1 12.682 25.840 -19.844 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.825 27.854 -18.448 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.102 28.195 -20.144 1.00 0.00 H new ATOM 0 HG CYS A 1 11.600 30.335 -19.052 1.00 0.00 H new ATOM 65 N LEU A 2 11.410 25.613 -17.586 1.00 0.00 N ATOM 66 CA LEU A 2 10.590 25.119 -16.497 1.00 0.00 C ATOM 67 C LEU A 2 10.003 26.254 -15.665 1.00 0.00 C ATOM 68 O LEU A 2 10.541 27.359 -15.621 1.00 0.00 O ATOM 69 CB LEU A 2 11.416 24.202 -15.610 1.00 0.00 C ATOM 70 CG LEU A 2 10.637 23.472 -14.532 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.482 22.715 -15.160 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.558 22.538 -13.767 1.00 0.00 C ATOM 0 H LEU A 2 12.411 25.629 -17.391 1.00 0.00 H new ATOM 0 HA LEU A 2 9.758 24.565 -16.932 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.912 23.464 -16.240 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.199 24.792 -15.134 1.00 0.00 H new ATOM 0 HG LEU A 2 10.228 24.193 -13.825 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.925 22.192 -14.383 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.822 23.416 -15.670 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.869 21.992 -15.878 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.990 22.018 -12.995 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.989 21.809 -14.453 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.357 23.115 -13.302 1.00 0.00 H new ATOM 84 N LYS A 3 8.893 25.948 -15.005 1.00 0.00 N ATOM 85 CA LYS A 3 8.207 26.885 -14.130 1.00 0.00 C ATOM 86 C LYS A 3 8.353 26.447 -12.675 1.00 0.00 C ATOM 87 O LYS A 3 7.363 26.292 -11.956 1.00 0.00 O ATOM 88 CB LYS A 3 6.719 26.964 -14.501 1.00 0.00 C ATOM 89 CG LYS A 3 6.050 25.597 -14.592 1.00 0.00 C ATOM 90 CD LYS A 3 4.525 25.677 -14.525 1.00 0.00 C ATOM 91 CE LYS A 3 3.940 26.684 -15.508 1.00 0.00 C ATOM 92 NZ LYS A 3 2.467 26.830 -15.335 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.442 25.035 -15.064 1.00 0.00 H new ATOM 0 HA LYS A 3 8.657 27.870 -14.253 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.198 27.568 -13.758 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.616 27.476 -15.458 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.343 25.116 -15.525 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.412 24.966 -13.780 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.105 24.692 -14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.225 25.948 -13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.421 27.652 -15.367 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.157 26.366 -16.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.064 27.299 -16.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.036 25.890 -15.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.272 27.403 -14.489 1.00 0.00 H new ATOM 106 N GLY A 4 9.588 26.216 -12.254 1.00 0.00 N ATOM 107 CA GLY A 4 9.834 25.797 -10.891 1.00 0.00 C ATOM 108 C GLY A 4 9.497 24.335 -10.675 1.00 0.00 C ATOM 109 O GLY A 4 10.338 23.464 -10.877 1.00 0.00 O ATOM 0 H GLY A 4 10.423 26.311 -12.832 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.882 25.968 -10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.242 26.410 -10.211 1.00 0.00 H new ATOM 113 N THR A 5 8.259 24.065 -10.282 1.00 0.00 N ATOM 114 CA THR A 5 7.808 22.698 -10.063 1.00 0.00 C ATOM 115 C THR A 5 7.362 22.050 -11.368 1.00 0.00 C ATOM 116 O THR A 5 7.372 20.831 -11.514 1.00 0.00 O ATOM 117 CB THR A 5 6.660 22.652 -9.043 1.00 0.00 C ATOM 118 OG1 THR A 5 5.712 23.691 -9.330 1.00 0.00 O ATOM 119 CG2 THR A 5 7.186 22.804 -7.626 1.00 0.00 C ATOM 0 H THR A 5 7.549 24.776 -10.108 1.00 0.00 H new ATOM 0 HA THR A 5 8.654 22.138 -9.666 1.00 0.00 H new ATOM 0 HB THR A 5 6.168 21.682 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.981 23.656 -8.678 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.354 22.768 -6.923 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.881 21.993 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.701 23.760 -7.530 1.00 0.00 H new ATOM 127 N GLY A 6 6.970 22.907 -12.312 1.00 0.00 N ATOM 128 CA GLY A 6 6.652 22.479 -13.662 1.00 0.00 C ATOM 129 C GLY A 6 5.505 21.510 -13.758 1.00 0.00 C ATOM 130 O GLY A 6 5.561 20.566 -14.539 1.00 0.00 O ATOM 0 H GLY A 6 6.867 23.910 -12.157 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.419 23.358 -14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.537 22.019 -14.101 1.00 0.00 H new ATOM 134 N GLU A 7 4.449 21.780 -13.017 1.00 0.00 N ATOM 135 CA GLU A 7 3.298 20.894 -12.975 1.00 0.00 C ATOM 136 C GLU A 7 2.601 20.839 -14.330 1.00 0.00 C ATOM 137 O GLU A 7 2.168 19.775 -14.771 1.00 0.00 O ATOM 138 CB GLU A 7 2.343 21.364 -11.882 1.00 0.00 C ATOM 139 CG GLU A 7 3.062 21.630 -10.572 1.00 0.00 C ATOM 140 CD GLU A 7 2.132 22.004 -9.443 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.536 21.101 -8.828 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.993 23.211 -9.164 1.00 0.00 O1- ATOM 0 H GLU A 7 4.362 22.611 -12.432 1.00 0.00 H new ATOM 0 HA GLU A 7 3.632 19.882 -12.744 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.838 22.273 -12.209 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.572 20.609 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.626 20.741 -10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.784 22.433 -10.719 1.00 0.00 H new ATOM 149 N ASN A 8 2.516 21.985 -14.992 1.00 0.00 N ATOM 150 CA ASN A 8 1.909 22.060 -16.317 1.00 0.00 C ATOM 151 C ASN A 8 2.630 23.096 -17.180 1.00 0.00 C ATOM 152 O ASN A 8 2.010 23.758 -18.009 1.00 0.00 O ATOM 153 CB ASN A 8 0.417 22.411 -16.199 1.00 0.00 C ATOM 154 CG ASN A 8 0.174 23.836 -15.726 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.989 24.423 -15.009 1.00 0.00 O ATOM 156 ND2 ASN A 8 -0.951 24.402 -16.127 1.00 0.00 N ATOM 0 H ASN A 8 2.859 22.876 -14.634 1.00 0.00 H new ATOM 0 HA ASN A 8 2.004 21.086 -16.796 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.061 22.270 -17.168 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.059 21.718 -15.505 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.171 25.357 -15.844 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.600 23.884 -16.720 1.00 0.00 H new ATOM 163 N TYR A 9 3.951 23.204 -16.971 1.00 0.00 N ATOM 164 CA TYR A 9 4.810 24.175 -17.671 1.00 0.00 C ATOM 165 C TYR A 9 4.436 24.344 -19.155 1.00 0.00 C ATOM 166 O TYR A 9 3.690 25.254 -19.501 1.00 0.00 O ATOM 167 CB TYR A 9 6.304 23.804 -17.504 1.00 0.00 C ATOM 168 CG TYR A 9 6.717 22.451 -18.068 1.00 0.00 C ATOM 169 CD1 TYR A 9 6.007 21.290 -17.774 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.821 22.344 -18.906 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.384 20.069 -18.298 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.201 21.125 -19.432 1.00 0.00 C ATOM 173 CZ TYR A 9 7.482 19.993 -19.127 1.00 0.00 C ATOM 174 OH TYR A 9 7.854 18.783 -19.663 1.00 0.00 O ATOM 0 H TYR A 9 4.457 22.617 -16.308 1.00 0.00 H new ATOM 0 HA TYR A 9 4.639 25.144 -17.203 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.906 24.576 -17.983 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.547 23.823 -16.442 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.146 21.345 -17.124 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.391 23.229 -19.150 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.821 19.179 -18.059 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.061 21.061 -20.082 1.00 0.00 H new ATOM 0 HH TYR A 9 8.647 18.904 -20.225 1.00 0.00 H new ATOM 184 N ARG A 10 4.982 23.511 -20.028 1.00 0.00 N ATOM 185 CA ARG A 10 4.544 23.465 -21.406 1.00 0.00 C ATOM 186 C ARG A 10 3.908 22.109 -21.684 1.00 0.00 C ATOM 187 O ARG A 10 2.702 21.936 -21.536 1.00 0.00 O ATOM 188 CB ARG A 10 5.717 23.705 -22.366 1.00 0.00 C ATOM 189 CG ARG A 10 6.385 25.063 -22.228 1.00 0.00 C ATOM 190 CD ARG A 10 7.370 25.096 -21.076 1.00 0.00 C ATOM 191 NE ARG A 10 7.022 26.119 -20.081 1.00 0.00 N ATOM 192 CZ ARG A 10 7.368 27.411 -20.171 1.00 0.00 C ATOM 193 NH1 ARG A 10 7.951 27.882 -21.269 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.097 28.248 -19.177 1.00 0.00 N ATOM 0 H ARG A 10 5.731 22.857 -19.801 1.00 0.00 H new ATOM 0 HA ARG A 10 3.812 24.256 -21.569 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.465 22.929 -22.204 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.359 23.594 -23.390 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.903 25.308 -23.155 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.624 25.828 -22.076 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.398 24.118 -20.595 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.371 25.291 -21.461 1.00 0.00 H new ATOM 0 HE ARG A 10 6.481 25.827 -19.267 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.139 27.258 -22.054 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.210 28.867 -21.326 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.623 27.909 -18.340 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.362 29.230 -19.251 1.00 0.00 H new ATOM 208 N GLY A 11 4.742 21.137 -22.016 1.00 0.00 N ATOM 209 CA GLY A 11 4.266 19.802 -22.321 1.00 0.00 C ATOM 210 C GLY A 11 5.112 19.173 -23.400 1.00 0.00 C ATOM 211 O GLY A 11 4.601 18.603 -24.359 1.00 0.00 O ATOM 0 H GLY A 11 5.754 21.250 -22.081 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.294 19.185 -21.423 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.226 19.845 -22.645 1.00 0.00 H new ATOM 215 N ASN A 12 6.418 19.278 -23.227 1.00 0.00 N ATOM 216 CA ASN A 12 7.361 18.909 -24.273 1.00 0.00 C ATOM 217 C ASN A 12 8.069 17.592 -23.971 1.00 0.00 C ATOM 218 O ASN A 12 7.847 16.589 -24.654 1.00 0.00 O ATOM 219 CB ASN A 12 8.381 20.036 -24.462 1.00 0.00 C ATOM 220 CG ASN A 12 8.798 20.673 -23.142 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.658 20.165 -22.432 1.00 0.00 O ATOM 222 ND2 ASN A 12 8.206 21.811 -22.812 1.00 0.00 N ATOM 0 H ASN A 12 6.853 19.617 -22.369 1.00 0.00 H new ATOM 0 HA ASN A 12 6.800 18.763 -25.196 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.263 19.642 -24.966 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.956 20.801 -25.113 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.463 22.288 -21.948 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.493 22.211 -23.422 1.00 0.00 H new ATOM 229 N VAL A 13 8.930 17.603 -22.961 1.00 0.00 N ATOM 230 CA VAL A 13 9.705 16.434 -22.590 1.00 0.00 C ATOM 231 C VAL A 13 8.811 15.281 -22.147 1.00 0.00 C ATOM 232 O VAL A 13 7.938 15.443 -21.292 1.00 0.00 O ATOM 233 CB VAL A 13 10.707 16.789 -21.477 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.436 15.557 -20.978 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.696 17.824 -21.982 1.00 0.00 C ATOM 0 H VAL A 13 9.108 18.422 -22.380 1.00 0.00 H new ATOM 0 HA VAL A 13 10.253 16.107 -23.474 1.00 0.00 H new ATOM 0 HB VAL A 13 10.151 17.207 -20.638 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.136 15.842 -20.193 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.714 14.844 -20.580 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.982 15.099 -21.802 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.402 18.070 -21.189 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.238 17.422 -22.838 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.159 18.724 -22.282 1.00 0.00 H new ATOM 245 N ALA A 14 9.047 14.121 -22.745 1.00 0.00 N ATOM 246 CA ALA A 14 8.281 12.922 -22.452 1.00 0.00 C ATOM 247 C ALA A 14 9.226 11.781 -22.075 1.00 0.00 C ATOM 248 O ALA A 14 8.899 10.601 -22.216 1.00 0.00 O ATOM 249 CB ALA A 14 7.425 12.551 -23.651 1.00 0.00 C ATOM 0 H ALA A 14 9.775 13.987 -23.446 1.00 0.00 H new ATOM 0 HA ALA A 14 7.620 13.110 -21.606 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.853 11.651 -23.425 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.741 13.369 -23.877 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.066 12.366 -24.513 1.00 0.00 H new ATOM 255 N VAL A 15 10.409 12.160 -21.607 1.00 0.00 N ATOM 256 CA VAL A 15 11.444 11.224 -21.187 1.00 0.00 C ATOM 257 C VAL A 15 12.078 11.751 -19.908 1.00 0.00 C ATOM 258 O VAL A 15 12.249 12.961 -19.761 1.00 0.00 O ATOM 259 CB VAL A 15 12.535 11.056 -22.279 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.654 10.139 -21.811 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.931 10.527 -23.571 1.00 0.00 C ATOM 0 H VAL A 15 10.680 13.138 -21.507 1.00 0.00 H new ATOM 0 HA VAL A 15 10.990 10.247 -21.020 1.00 0.00 H new ATOM 0 HB VAL A 15 12.960 12.042 -22.468 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.400 10.044 -22.600 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.120 10.559 -20.920 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.245 9.156 -21.578 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.714 10.418 -24.321 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.468 9.558 -23.386 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.177 11.226 -23.933 1.00 0.00 H new ATOM 271 N THR A 16 12.418 10.854 -18.990 1.00 0.00 N ATOM 272 CA THR A 16 12.950 11.256 -17.690 1.00 0.00 C ATOM 273 C THR A 16 14.280 12.005 -17.839 1.00 0.00 C ATOM 274 O THR A 16 14.773 12.201 -18.954 1.00 0.00 O ATOM 275 CB THR A 16 13.143 10.041 -16.747 1.00 0.00 C ATOM 276 OG1 THR A 16 14.197 9.190 -17.213 1.00 0.00 O ATOM 277 CG2 THR A 16 11.861 9.232 -16.638 1.00 0.00 C ATOM 0 H THR A 16 12.336 9.846 -19.119 1.00 0.00 H new ATOM 0 HA THR A 16 12.214 11.926 -17.246 1.00 0.00 H new ATOM 0 HB THR A 16 13.408 10.431 -15.764 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.857 9.067 -16.500 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.021 8.385 -15.971 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.066 9.862 -16.240 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.575 8.868 -17.625 1.00 0.00 H new ATOM 285 N VAL A 17 14.857 12.445 -16.728 1.00 0.00 N ATOM 286 CA VAL A 17 16.163 13.091 -16.758 1.00 0.00 C ATOM 287 C VAL A 17 17.219 12.111 -17.280 1.00 0.00 C ATOM 288 O VAL A 17 18.250 12.511 -17.825 1.00 0.00 O ATOM 289 CB VAL A 17 16.554 13.647 -15.364 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.564 12.550 -14.315 1.00 0.00 C ATOM 291 CG2 VAL A 17 17.899 14.358 -15.411 1.00 0.00 C ATOM 0 H VAL A 17 14.444 12.367 -15.799 1.00 0.00 H new ATOM 0 HA VAL A 17 16.110 13.942 -17.438 1.00 0.00 H new ATOM 0 HB VAL A 17 15.796 14.377 -15.080 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.842 12.972 -13.349 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.571 12.105 -14.244 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.286 11.784 -14.597 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.145 14.737 -14.419 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.670 13.658 -15.734 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.847 15.189 -16.114 1.00 0.00 H new ATOM 301 N SER A 18 16.927 10.824 -17.146 1.00 0.00 N ATOM 302 CA SER A 18 17.781 9.784 -17.688 1.00 0.00 C ATOM 303 C SER A 18 17.169 9.242 -18.983 1.00 0.00 C ATOM 304 O SER A 18 16.222 9.814 -19.514 1.00 0.00 O ATOM 305 CB SER A 18 17.939 8.662 -16.665 1.00 0.00 C ATOM 306 OG SER A 18 18.168 9.188 -15.367 1.00 0.00 O ATOM 0 H SER A 18 16.099 10.477 -16.663 1.00 0.00 H new ATOM 0 HA SER A 18 18.765 10.198 -17.908 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.042 8.042 -16.658 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.770 8.017 -16.952 1.00 0.00 H new ATOM 0 HG SER A 18 17.347 9.120 -14.837 1.00 0.00 H new ATOM 312 N GLY A 19 17.698 8.136 -19.487 1.00 0.00 N ATOM 313 CA GLY A 19 17.185 7.567 -20.721 1.00 0.00 C ATOM 314 C GLY A 19 15.970 6.675 -20.517 1.00 0.00 C ATOM 315 O GLY A 19 15.756 5.734 -21.280 1.00 0.00 O ATOM 0 H GLY A 19 18.472 7.622 -19.066 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.922 8.375 -21.403 1.00 0.00 H new ATOM 0 HA3 GLY A 19 17.974 6.989 -21.201 1.00 0.00 H new ATOM 319 N HIS A 20 15.176 6.956 -19.487 1.00 0.00 N ATOM 320 CA HIS A 20 13.976 6.172 -19.216 1.00 0.00 C ATOM 321 C HIS A 20 12.764 6.797 -19.893 1.00 0.00 C ATOM 322 O HIS A 20 12.466 7.972 -19.688 1.00 0.00 O ATOM 323 CB HIS A 20 13.719 6.041 -17.709 1.00 0.00 C ATOM 324 CG HIS A 20 14.797 5.304 -16.971 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.844 5.932 -16.339 1.00 0.00 N ATOM 326 CD2 HIS A 20 14.996 3.980 -16.790 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.648 5.026 -15.816 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.156 3.831 -16.075 1.00 0.00 N ATOM 0 H HIS A 20 15.342 7.718 -18.829 1.00 0.00 H new ATOM 0 HA HIS A 20 14.139 5.174 -19.623 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.615 7.038 -17.280 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.770 5.527 -17.555 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.358 3.184 -17.144 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.556 5.229 -15.268 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.570 2.943 -15.791 1.00 0.00 H new ATOM 337 N THR A 21 12.074 6.009 -20.699 1.00 0.00 N ATOM 338 CA THR A 21 10.861 6.457 -21.363 1.00 0.00 C ATOM 339 C THR A 21 9.747 6.701 -20.348 1.00 0.00 C ATOM 340 O THR A 21 9.451 5.835 -19.518 1.00 0.00 O ATOM 341 CB THR A 21 10.401 5.420 -22.410 1.00 0.00 C ATOM 342 OG1 THR A 21 11.271 5.458 -23.547 1.00 0.00 O ATOM 343 CG2 THR A 21 8.962 5.655 -22.851 1.00 0.00 C ATOM 0 H THR A 21 12.336 5.046 -20.911 1.00 0.00 H new ATOM 0 HA THR A 21 11.082 7.396 -21.871 1.00 0.00 H new ATOM 0 HB THR A 21 10.446 4.436 -21.943 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.975 4.797 -24.207 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.680 4.903 -23.588 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.301 5.583 -21.988 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.875 6.647 -23.294 1.00 0.00 H new ATOM 351 N CYS A 22 9.171 7.897 -20.385 1.00 0.00 N ATOM 352 CA CYS A 22 8.041 8.218 -19.536 1.00 0.00 C ATOM 353 C CYS A 22 6.808 7.413 -19.933 1.00 0.00 C ATOM 354 O CYS A 22 6.250 7.592 -21.014 1.00 0.00 O ATOM 355 CB CYS A 22 7.722 9.710 -19.589 1.00 0.00 C ATOM 356 SG CYS A 22 8.891 10.765 -18.675 1.00 0.00 S ATOM 0 H CYS A 22 9.471 8.657 -20.995 1.00 0.00 H new ATOM 0 HA CYS A 22 8.317 7.954 -18.515 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.704 10.028 -20.631 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.720 9.869 -19.190 1.00 0.00 H new ATOM 361 N GLN A 23 6.420 6.505 -19.062 1.00 0.00 N ATOM 362 CA GLN A 23 5.174 5.776 -19.192 1.00 0.00 C ATOM 363 C GLN A 23 3.981 6.735 -19.103 1.00 0.00 C ATOM 364 O GLN A 23 3.991 7.686 -18.317 1.00 0.00 O ATOM 365 CB GLN A 23 5.113 4.724 -18.087 1.00 0.00 C ATOM 366 CG GLN A 23 3.746 4.109 -17.900 1.00 0.00 C ATOM 367 CD GLN A 23 3.284 4.197 -16.470 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.513 3.299 -15.666 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.663 5.308 -16.137 1.00 0.00 N ATOM 0 H GLN A 23 6.964 6.250 -18.238 1.00 0.00 H new ATOM 0 HA GLN A 23 5.128 5.286 -20.164 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.828 3.933 -18.312 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.427 5.180 -17.148 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.028 4.615 -18.546 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.772 3.064 -18.210 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.494 6.028 -16.839 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.350 5.449 -15.176 1.00 0.00 H new ATOM 378 N HIS A 24 2.954 6.458 -19.902 1.00 0.00 N ATOM 379 CA HIS A 24 1.791 7.339 -20.029 1.00 0.00 C ATOM 380 C HIS A 24 1.031 7.467 -18.715 1.00 0.00 C ATOM 381 O HIS A 24 0.927 6.515 -17.944 1.00 0.00 O ATOM 382 CB HIS A 24 0.845 6.810 -21.108 1.00 0.00 C ATOM 383 CG HIS A 24 1.456 6.751 -22.473 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.176 5.670 -22.926 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.453 7.648 -23.486 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.590 5.905 -24.155 1.00 0.00 C ATOM 387 NE2 HIS A 24 2.167 7.097 -24.521 1.00 0.00 N ATOM 0 H HIS A 24 2.902 5.619 -20.480 1.00 0.00 H new ATOM 0 HA HIS A 24 2.161 8.326 -20.308 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.511 5.811 -20.827 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.041 7.444 -21.144 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.977 8.618 -23.481 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.178 5.232 -24.761 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.341 7.538 -25.424 1.00 0.00 H new ATOM 396 N TRP A 25 0.504 8.662 -18.475 1.00 0.00 N ATOM 397 CA TRP A 25 -0.275 8.940 -17.273 1.00 0.00 C ATOM 398 C TRP A 25 -1.581 8.163 -17.282 1.00 0.00 C ATOM 399 O TRP A 25 -2.057 7.721 -16.241 1.00 0.00 O ATOM 400 CB TRP A 25 -0.571 10.432 -17.149 1.00 0.00 C ATOM 401 CG TRP A 25 0.656 11.276 -17.059 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.114 12.156 -17.993 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.588 11.317 -15.976 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.267 12.747 -17.553 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.585 12.243 -16.320 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.675 10.660 -14.749 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.659 12.526 -15.483 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.740 10.939 -13.917 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.720 11.864 -14.287 1.00 0.00 C ATOM 0 H TRP A 25 0.603 9.460 -19.102 1.00 0.00 H new ATOM 0 HA TRP A 25 0.320 8.624 -16.416 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.159 10.750 -18.010 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.184 10.600 -16.264 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.637 12.357 -18.941 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.803 13.450 -18.062 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.921 9.945 -14.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.417 13.242 -15.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.817 10.435 -12.965 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.542 12.060 -13.615 1.00 0.00 H new ATOM 420 N SER A 26 -2.157 8.017 -18.464 1.00 0.00 N ATOM 421 CA SER A 26 -3.403 7.285 -18.627 1.00 0.00 C ATOM 422 C SER A 26 -3.162 5.786 -18.478 1.00 0.00 C ATOM 423 O SER A 26 -4.082 5.010 -18.218 1.00 0.00 O ATOM 424 CB SER A 26 -3.995 7.598 -20.001 1.00 0.00 C ATOM 425 OG SER A 26 -3.014 7.424 -21.013 1.00 0.00 O ATOM 0 H SER A 26 -1.778 8.399 -19.331 1.00 0.00 H new ATOM 0 HA SER A 26 -4.107 7.593 -17.854 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.846 6.945 -20.195 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.368 8.622 -20.019 1.00 0.00 H new ATOM 0 HG SER A 26 -3.407 7.626 -21.888 1.00 0.00 H new ATOM 431 N ALA A 27 -1.907 5.395 -18.626 1.00 0.00 N ATOM 432 CA ALA A 27 -1.524 4.001 -18.558 1.00 0.00 C ATOM 433 C ALA A 27 -1.260 3.584 -17.125 1.00 0.00 C ATOM 434 O ALA A 27 -0.535 4.256 -16.393 1.00 0.00 O ATOM 435 CB ALA A 27 -0.287 3.757 -19.402 1.00 0.00 C ATOM 0 H ALA A 27 -1.131 6.034 -18.796 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.347 3.402 -18.947 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.008 2.705 -19.343 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.496 4.019 -20.439 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.534 4.371 -19.031 1.00 0.00 H new ATOM 441 N GLN A 28 -1.860 2.485 -16.723 1.00 0.00 N ATOM 442 CA GLN A 28 -1.574 1.887 -15.431 1.00 0.00 C ATOM 443 C GLN A 28 -0.610 0.729 -15.622 1.00 0.00 C ATOM 444 O GLN A 28 -0.458 -0.138 -14.763 1.00 0.00 O ATOM 445 CB GLN A 28 -2.863 1.429 -14.759 1.00 0.00 C ATOM 446 CG GLN A 28 -3.755 2.585 -14.332 1.00 0.00 C ATOM 447 CD GLN A 28 -3.276 3.211 -13.053 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.719 2.853 -11.964 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.328 4.121 -13.175 1.00 0.00 N ATOM 0 H GLN A 28 -2.555 1.982 -17.275 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.111 2.627 -14.778 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.415 0.786 -15.445 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.616 0.826 -13.885 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.778 3.338 -15.120 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.777 2.228 -14.203 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.992 4.386 -14.101 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.932 4.559 -12.344 1.00 0.00 H new ATOM 458 N THR A 29 0.013 0.734 -16.786 1.00 0.00 N ATOM 459 CA THR A 29 1.043 -0.219 -17.143 1.00 0.00 C ATOM 460 C THR A 29 2.169 0.548 -17.833 1.00 0.00 C ATOM 461 O THR A 29 1.892 1.460 -18.615 1.00 0.00 O ATOM 462 CB THR A 29 0.482 -1.296 -18.100 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.743 -1.827 -17.573 1.00 0.00 O ATOM 464 CG2 THR A 29 1.474 -2.431 -18.299 1.00 0.00 C ATOM 0 H THR A 29 -0.187 1.412 -17.521 1.00 0.00 H new ATOM 0 HA THR A 29 1.409 -0.723 -16.248 1.00 0.00 H new ATOM 0 HB THR A 29 0.299 -0.822 -19.065 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.094 -2.508 -18.184 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.049 -3.171 -18.977 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.397 -2.037 -18.724 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.688 -2.900 -17.338 1.00 0.00 H new ATOM 472 N PRO A 30 3.449 0.235 -17.565 1.00 0.00 N ATOM 473 CA PRO A 30 3.876 -0.813 -16.619 1.00 0.00 C ATOM 474 C PRO A 30 3.475 -0.558 -15.159 1.00 0.00 C ATOM 475 O PRO A 30 2.989 -1.462 -14.483 1.00 0.00 O ATOM 476 CB PRO A 30 5.407 -0.805 -16.743 1.00 0.00 C ATOM 477 CG PRO A 30 5.753 0.510 -17.360 1.00 0.00 C ATOM 478 CD PRO A 30 4.595 0.875 -18.227 1.00 0.00 C ATOM 0 HA PRO A 30 3.397 -1.761 -16.865 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.880 -0.917 -15.767 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.754 -1.632 -17.362 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.922 1.268 -16.595 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.670 0.438 -17.944 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.468 1.956 -18.291 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.726 0.508 -19.245 1.00 0.00 H new ATOM 486 N HIS A 31 3.662 0.670 -14.680 1.00 0.00 N ATOM 487 CA HIS A 31 3.506 0.962 -13.255 1.00 0.00 C ATOM 488 C HIS A 31 2.065 1.322 -12.900 1.00 0.00 C ATOM 489 O HIS A 31 1.454 2.190 -13.525 1.00 0.00 O ATOM 490 CB HIS A 31 4.464 2.082 -12.825 1.00 0.00 C ATOM 491 CG HIS A 31 5.899 1.640 -12.721 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.854 1.910 -13.683 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.542 0.947 -11.747 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.015 1.404 -13.304 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.854 0.816 -12.135 1.00 0.00 N ATOM 0 H HIS A 31 3.920 1.474 -15.252 1.00 0.00 H new ATOM 0 HA HIS A 31 3.759 0.054 -12.708 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.396 2.902 -13.540 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.142 2.474 -11.860 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.689 2.420 -14.551 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.104 0.568 -10.835 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.940 1.462 -13.859 1.00 0.00 H new ATOM 504 N THR A 32 1.535 0.649 -11.886 1.00 0.00 N ATOM 505 CA THR A 32 0.172 0.877 -11.418 1.00 0.00 C ATOM 506 C THR A 32 0.120 2.058 -10.446 1.00 0.00 C ATOM 507 O THR A 32 0.046 1.889 -9.230 1.00 0.00 O ATOM 508 CB THR A 32 -0.387 -0.389 -10.738 1.00 0.00 C ATOM 509 OG1 THR A 32 0.563 -0.897 -9.789 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.701 -1.466 -11.764 1.00 0.00 C ATOM 0 H THR A 32 2.037 -0.070 -11.365 1.00 0.00 H new ATOM 0 HA THR A 32 -0.445 1.113 -12.285 1.00 0.00 H new ATOM 0 HB THR A 32 -1.309 -0.117 -10.225 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.784 -0.196 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.094 -2.348 -11.257 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.443 -1.092 -12.469 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.209 -1.732 -12.302 1.00 0.00 H new ATOM 518 N HIS A 33 0.188 3.253 -11.005 1.00 0.00 N ATOM 519 CA HIS A 33 0.279 4.493 -10.219 1.00 0.00 C ATOM 520 C HIS A 33 -1.090 5.131 -9.996 1.00 0.00 C ATOM 521 O HIS A 33 -2.014 4.890 -10.749 1.00 0.00 O ATOM 522 CB HIS A 33 1.195 5.489 -10.933 1.00 0.00 C ATOM 523 CG HIS A 33 0.778 5.778 -12.342 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.118 6.924 -12.721 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.926 5.049 -13.470 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.123 6.882 -14.015 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.359 5.758 -14.495 1.00 0.00 N ATOM 0 H HIS A 33 0.182 3.402 -12.014 1.00 0.00 H new ATOM 0 HA HIS A 33 0.690 4.235 -9.243 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.214 6.422 -10.369 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.212 5.098 -10.936 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.404 4.084 -13.549 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.632 7.644 -14.586 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.318 5.462 -15.470 1.00 0.00 H new ATOM 536 N ASN A 34 -1.209 5.983 -8.990 1.00 0.00 N ATOM 537 CA ASN A 34 -2.438 6.751 -8.810 1.00 0.00 C ATOM 538 C ASN A 34 -2.214 8.216 -9.169 1.00 0.00 C ATOM 539 O ASN A 34 -2.839 9.111 -8.612 1.00 0.00 O ATOM 540 CB ASN A 34 -2.993 6.635 -7.388 1.00 0.00 C ATOM 541 CG ASN A 34 -3.379 5.213 -7.022 1.00 0.00 C ATOM 542 OD1 ASN A 34 -4.503 4.777 -7.267 1.00 0.00 O ATOM 543 ND2 ASN A 34 -2.460 4.484 -6.416 1.00 0.00 N ATOM 0 H ASN A 34 -0.485 6.161 -8.294 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.180 6.325 -9.486 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.247 6.998 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.866 7.280 -7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.672 3.527 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.538 4.878 -6.229 1.00 0.00 H new ATOM 550 N ARG A 36 -1.284 8.455 -10.084 1.00 0.00 N ATOM 551 CA ARG A 36 -1.141 9.772 -10.696 1.00 0.00 C ATOM 552 C ARG A 36 -1.576 9.703 -12.152 1.00 0.00 C ATOM 553 O ARG A 36 -0.744 9.611 -13.049 1.00 0.00 O ATOM 554 CB ARG A 36 0.298 10.305 -10.610 1.00 0.00 C ATOM 555 CG ARG A 36 0.683 10.910 -9.263 1.00 0.00 C ATOM 556 CD ARG A 36 1.074 9.847 -8.251 1.00 0.00 C ATOM 557 NE ARG A 36 1.373 10.419 -6.936 1.00 0.00 N ATOM 558 CZ ARG A 36 1.484 9.704 -5.814 1.00 0.00 C ATOM 559 NH1 ARG A 36 1.309 8.390 -5.829 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 1.783 10.305 -4.672 1.00 0.00 N ATOM 0 H ARG A 36 -0.619 7.758 -10.419 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.776 10.463 -10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.985 9.489 -10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.436 11.061 -11.383 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.514 11.602 -9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.154 11.490 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.264 9.124 -8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.946 9.303 -8.616 1.00 0.00 H new ATOM 0 HE ARG A 36 1.505 11.429 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.087 7.915 -6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.396 7.854 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.928 11.314 -4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.868 9.758 -3.815 1.00 0.00 H new ATOM 574 N THR A 37 -2.878 9.720 -12.366 1.00 0.00 N ATOM 575 CA THR A 37 -3.454 9.603 -13.696 1.00 0.00 C ATOM 576 C THR A 37 -4.318 10.825 -13.966 1.00 0.00 C ATOM 577 O THR A 37 -4.665 11.547 -13.033 1.00 0.00 O ATOM 578 CB THR A 37 -4.331 8.332 -13.809 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.392 8.394 -12.849 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.508 7.074 -13.576 1.00 0.00 C ATOM 0 H THR A 37 -3.569 9.815 -11.622 1.00 0.00 H new ATOM 0 HA THR A 37 -2.645 9.534 -14.423 1.00 0.00 H new ATOM 0 HB THR A 37 -4.743 8.290 -14.817 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.034 8.218 -11.954 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.151 6.198 -13.662 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.714 7.016 -14.320 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.069 7.106 -12.579 1.00 0.00 H new ATOM 588 N PRO A 38 -4.670 11.095 -15.232 1.00 0.00 N ATOM 589 CA PRO A 38 -5.572 12.198 -15.572 1.00 0.00 C ATOM 590 C PRO A 38 -6.988 11.968 -15.039 1.00 0.00 C ATOM 591 O PRO A 38 -7.891 12.770 -15.275 1.00 0.00 O ATOM 592 CB PRO A 38 -5.561 12.242 -17.102 1.00 0.00 C ATOM 593 CG PRO A 38 -5.005 10.931 -17.550 1.00 0.00 C ATOM 594 CD PRO A 38 -4.185 10.381 -16.421 1.00 0.00 C ATOM 0 HA PRO A 38 -5.248 13.136 -15.122 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.566 12.394 -17.495 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.950 13.069 -17.464 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.809 10.243 -17.811 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.392 11.059 -18.442 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.320 9.304 -16.320 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.121 10.555 -16.582 1.00 0.00 H new ATOM 602 N GLU A 39 -7.170 10.855 -14.336 1.00 0.00 N ATOM 603 CA GLU A 39 -8.415 10.568 -13.644 1.00 0.00 C ATOM 604 C GLU A 39 -8.243 10.823 -12.144 1.00 0.00 C ATOM 605 O GLU A 39 -9.215 10.906 -11.395 1.00 0.00 O ATOM 606 CB GLU A 39 -8.831 9.118 -13.903 1.00 0.00 C ATOM 607 CG GLU A 39 -8.960 8.791 -15.381 1.00 0.00 C ATOM 608 CD GLU A 39 -9.439 7.377 -15.637 1.00 0.00 C ATOM 609 OE1 GLU A 39 -10.632 7.100 -15.401 1.00 0.00 O ATOM 610 OE2 GLU A 39 -8.635 6.544 -16.106 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.459 10.131 -14.232 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.200 11.224 -14.020 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.098 8.450 -13.452 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.784 8.926 -13.410 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.654 9.493 -15.843 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.994 8.934 -15.864 1.00 0.00 H new ATOM 617 N ASN A 40 -6.988 10.953 -11.722 1.00 0.00 N ATOM 618 CA ASN A 40 -6.652 11.271 -10.334 1.00 0.00 C ATOM 619 C ASN A 40 -6.343 12.747 -10.187 1.00 0.00 C ATOM 620 O ASN A 40 -6.737 13.392 -9.216 1.00 0.00 O ATOM 621 CB ASN A 40 -5.438 10.460 -9.869 1.00 0.00 C ATOM 622 CG ASN A 40 -5.788 9.126 -9.233 1.00 0.00 C ATOM 623 OD1 ASN A 40 -5.974 8.125 -9.919 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.838 9.095 -7.911 1.00 0.00 N ATOM 0 H ASN A 40 -6.176 10.842 -12.329 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.514 11.015 -9.718 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.785 10.282 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.871 11.054 -9.152 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.037 8.219 -7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.678 9.948 -7.374 1.00 0.00 H new ATOM 631 N PHE A 41 -5.630 13.269 -11.165 1.00 0.00 N ATOM 632 CA PHE A 41 -5.249 14.672 -11.193 1.00 0.00 C ATOM 633 C PHE A 41 -5.649 15.278 -12.532 1.00 0.00 C ATOM 634 O PHE A 41 -4.793 15.663 -13.331 1.00 0.00 O ATOM 635 CB PHE A 41 -3.739 14.829 -10.985 1.00 0.00 C ATOM 636 CG PHE A 41 -3.245 14.339 -9.653 1.00 0.00 C ATOM 637 CD1 PHE A 41 -2.868 13.017 -9.480 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.152 15.205 -8.576 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.409 12.568 -8.259 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.693 14.761 -7.352 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.323 13.439 -7.193 1.00 0.00 C ATOM 0 H PHE A 41 -5.296 12.733 -11.966 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.764 15.191 -10.384 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.217 14.288 -11.774 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.477 15.881 -11.092 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.934 12.330 -10.311 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.442 16.239 -8.695 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.117 11.535 -8.138 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.623 15.446 -6.520 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.967 13.088 -6.236 1.00 0.00 H new ATOM 651 N PRO A 42 -6.963 15.367 -12.800 1.00 0.00 N ATOM 652 CA PRO A 42 -7.475 15.823 -14.094 1.00 0.00 C ATOM 653 C PRO A 42 -7.037 17.247 -14.436 1.00 0.00 C ATOM 654 O PRO A 42 -6.757 17.559 -15.594 1.00 0.00 O ATOM 655 CB PRO A 42 -8.999 15.753 -13.932 1.00 0.00 C ATOM 656 CG PRO A 42 -9.227 14.836 -12.781 1.00 0.00 C ATOM 657 CD PRO A 42 -8.057 15.036 -11.866 1.00 0.00 C ATOM 0 HA PRO A 42 -7.094 15.210 -14.911 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.420 16.740 -13.739 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.474 15.375 -14.837 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.164 15.068 -12.275 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.292 13.800 -13.113 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.235 15.839 -11.151 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.838 14.138 -11.288 1.00 0.00 H new ATOM 665 N SER A 43 -6.947 18.094 -13.421 1.00 0.00 N ATOM 666 CA SER A 43 -6.622 19.498 -13.629 1.00 0.00 C ATOM 667 C SER A 43 -5.115 19.743 -13.569 1.00 0.00 C ATOM 668 O SER A 43 -4.663 20.885 -13.641 1.00 0.00 O ATOM 669 CB SER A 43 -7.334 20.352 -12.582 1.00 0.00 C ATOM 670 OG SER A 43 -8.726 20.079 -12.565 1.00 0.00 O ATOM 0 H SER A 43 -7.094 17.834 -12.446 1.00 0.00 H new ATOM 0 HA SER A 43 -6.963 19.779 -14.625 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.909 20.156 -11.597 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.169 21.408 -12.796 1.00 0.00 H new ATOM 0 HG SER A 43 -9.160 20.636 -11.886 1.00 0.00 H new ATOM 676 N LYS A 44 -4.337 18.673 -13.447 1.00 0.00 N ATOM 677 CA LYS A 44 -2.887 18.801 -13.365 1.00 0.00 C ATOM 678 C LYS A 44 -2.260 18.599 -14.747 1.00 0.00 C ATOM 679 O LYS A 44 -1.042 18.665 -14.913 1.00 0.00 O ATOM 680 CB LYS A 44 -2.313 17.794 -12.363 1.00 0.00 C ATOM 681 CG LYS A 44 -0.861 18.056 -11.990 1.00 0.00 C ATOM 682 CD LYS A 44 -0.695 19.312 -11.140 1.00 0.00 C ATOM 683 CE LYS A 44 -1.193 19.102 -9.715 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.929 20.287 -8.853 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.683 17.714 -13.403 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.646 19.805 -13.016 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.919 17.811 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.395 16.791 -12.783 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.468 17.198 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.268 18.155 -12.899 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.356 19.600 -11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.242 20.136 -11.598 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.263 18.896 -9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.707 18.226 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.775 19.976 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.082 20.784 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.745 20.930 -8.888 1.00 0.00 H new ATOM 698 N ASN A 45 -3.123 18.344 -15.729 1.00 0.00 N ATOM 699 CA ASN A 45 -2.724 18.240 -17.135 1.00 0.00 C ATOM 700 C ASN A 45 -1.877 17.000 -17.401 1.00 0.00 C ATOM 701 O ASN A 45 -0.806 17.089 -17.984 1.00 0.00 O ATOM 702 CB ASN A 45 -1.964 19.492 -17.604 1.00 0.00 C ATOM 703 CG ASN A 45 -2.865 20.697 -17.814 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.595 21.543 -18.666 1.00 0.00 O ATOM 705 ND2 ASN A 45 -3.935 20.785 -17.044 1.00 0.00 N ATOM 0 H ASN A 45 -4.121 18.203 -15.574 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.648 18.154 -17.706 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.200 19.742 -16.868 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.447 19.267 -18.537 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.572 21.575 -17.145 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.124 20.063 -16.349 1.00 0.00 H new ATOM 712 N LEU A 46 -2.365 15.841 -17.002 1.00 0.00 N ATOM 713 CA LEU A 46 -1.647 14.592 -17.252 1.00 0.00 C ATOM 714 C LEU A 46 -1.847 14.139 -18.695 1.00 0.00 C ATOM 715 O LEU A 46 -2.530 13.154 -18.975 1.00 0.00 O ATOM 716 CB LEU A 46 -2.090 13.519 -16.251 1.00 0.00 C ATOM 717 CG LEU A 46 -1.178 13.347 -15.022 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.264 14.548 -14.824 1.00 0.00 C ATOM 719 CD2 LEU A 46 -2.004 13.113 -13.767 1.00 0.00 C ATOM 0 H LEU A 46 -3.249 15.731 -16.506 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.579 14.759 -17.109 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.095 13.761 -15.906 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.153 12.564 -16.772 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.552 12.474 -15.206 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.363 14.387 -13.947 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.367 14.674 -15.704 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.867 15.444 -14.679 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.340 12.994 -12.911 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.662 13.966 -13.600 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.604 12.211 -13.889 1.00 0.00 H new ATOM 731 N ASP A 47 -1.226 14.889 -19.599 1.00 0.00 N ATOM 732 CA ASP A 47 -1.319 14.651 -21.030 1.00 0.00 C ATOM 733 C ASP A 47 -0.302 13.611 -21.473 1.00 0.00 C ATOM 734 O ASP A 47 0.897 13.761 -21.214 1.00 0.00 O ATOM 735 CB ASP A 47 -1.050 15.949 -21.795 1.00 0.00 C ATOM 736 CG ASP A 47 -2.069 17.031 -21.526 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.179 16.961 -22.087 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.760 17.964 -20.754 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.639 15.686 -19.354 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.324 14.288 -21.244 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.060 16.319 -21.529 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.033 15.735 -22.864 1.00 0.00 H new ATOM 743 N GLU A 48 -0.787 12.568 -22.143 1.00 0.00 N ATOM 744 CA GLU A 48 0.067 11.544 -22.738 1.00 0.00 C ATOM 745 C GLU A 48 1.012 10.927 -21.712 1.00 0.00 C ATOM 746 O GLU A 48 0.614 10.101 -20.890 1.00 0.00 O ATOM 747 CB GLU A 48 0.883 12.118 -23.906 1.00 0.00 C ATOM 748 CG GLU A 48 0.106 12.326 -25.201 1.00 0.00 C ATOM 749 CD GLU A 48 -1.149 13.166 -25.038 1.00 0.00 C ATOM 750 OE1 GLU A 48 -1.070 14.404 -25.175 1.00 0.00 O ATOM 751 OE2 GLU A 48 -2.226 12.590 -24.788 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.784 12.409 -22.288 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.594 10.761 -23.111 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.306 13.074 -23.597 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.720 11.449 -24.107 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.759 12.804 -25.932 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.170 11.353 -25.608 1.00 0.00 H new ATOM 758 N ASN A 49 2.265 11.349 -21.772 1.00 0.00 N ATOM 759 CA ASN A 49 3.296 10.865 -20.871 1.00 0.00 C ATOM 760 C ASN A 49 4.345 11.942 -20.655 1.00 0.00 C ATOM 761 O ASN A 49 5.474 11.661 -20.265 1.00 0.00 O ATOM 762 CB ASN A 49 3.928 9.589 -21.426 1.00 0.00 C ATOM 763 CG ASN A 49 4.484 9.751 -22.830 1.00 0.00 C ATOM 764 OD1 ASN A 49 3.750 9.660 -23.812 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.784 9.952 -22.940 1.00 0.00 N ATOM 0 H ASN A 49 2.595 12.038 -22.448 1.00 0.00 H new ATOM 0 HA ASN A 49 2.845 10.628 -19.908 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.730 9.271 -20.760 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.182 8.794 -21.428 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.211 10.037 -23.863 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.362 10.022 -22.102 1.00 0.00 H new ATOM 772 N TYR A 50 3.951 13.176 -20.937 1.00 0.00 N ATOM 773 CA TYR A 50 4.806 14.340 -20.717 1.00 0.00 C ATOM 774 C TYR A 50 5.226 14.424 -19.261 1.00 0.00 C ATOM 775 O TYR A 50 4.461 14.053 -18.372 1.00 0.00 O ATOM 776 CB TYR A 50 4.071 15.630 -21.078 1.00 0.00 C ATOM 777 CG TYR A 50 3.421 15.623 -22.439 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.821 14.730 -23.422 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.409 16.523 -22.738 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.229 14.732 -24.669 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.809 16.529 -23.982 1.00 0.00 C ATOM 782 CZ TYR A 50 2.225 15.633 -24.944 1.00 0.00 C ATOM 783 OH TYR A 50 1.634 15.639 -26.189 1.00 0.00 O ATOM 0 H TYR A 50 3.034 13.401 -21.323 1.00 0.00 H new ATOM 0 HA TYR A 50 5.684 14.226 -21.353 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.306 15.819 -20.325 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.776 16.460 -21.031 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.608 14.022 -23.208 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.086 17.229 -21.988 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.552 14.031 -25.424 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.018 17.232 -24.200 1.00 0.00 H new ATOM 0 HH TYR A 50 0.727 15.275 -26.122 1.00 0.00 H new ATOM 793 N CYS A 51 6.430 14.913 -19.022 1.00 0.00 N ATOM 794 CA CYS A 51 6.910 15.122 -17.665 1.00 0.00 C ATOM 795 C CYS A 51 6.095 16.192 -16.945 1.00 0.00 C ATOM 796 O CYS A 51 6.440 17.372 -16.963 1.00 0.00 O ATOM 797 CB CYS A 51 8.376 15.531 -17.678 1.00 0.00 C ATOM 798 SG CYS A 51 9.524 14.224 -18.210 1.00 0.00 S ATOM 0 H CYS A 51 7.095 15.173 -19.750 1.00 0.00 H new ATOM 0 HA CYS A 51 6.797 14.179 -17.129 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.494 16.390 -18.338 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.657 15.857 -16.677 1.00 0.00 H new ATOM 803 N ARG A 52 5.006 15.771 -16.327 1.00 0.00 N ATOM 804 CA ARG A 52 4.172 16.660 -15.535 1.00 0.00 C ATOM 805 C ARG A 52 4.576 16.578 -14.073 1.00 0.00 C ATOM 806 O ARG A 52 5.526 15.882 -13.723 1.00 0.00 O ATOM 807 CB ARG A 52 2.703 16.276 -15.690 1.00 0.00 C ATOM 808 CG ARG A 52 2.152 16.472 -17.097 1.00 0.00 C ATOM 809 CD ARG A 52 2.273 17.913 -17.586 1.00 0.00 C ATOM 810 NE ARG A 52 1.398 18.160 -18.737 1.00 0.00 N ATOM 811 CZ ARG A 52 1.487 19.196 -19.565 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.472 20.074 -19.441 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.577 19.354 -20.521 1.00 0.00 N ATOM 0 H ARG A 52 4.675 14.807 -16.359 1.00 0.00 H new ATOM 0 HA ARG A 52 4.309 17.682 -15.887 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.580 15.231 -15.406 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.109 16.867 -14.993 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.683 15.814 -17.785 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.104 16.174 -17.116 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.015 18.597 -16.777 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.307 18.120 -17.861 1.00 0.00 H new ATOM 0 HE ARG A 52 0.659 17.480 -18.917 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.169 19.958 -18.706 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.533 20.866 -20.081 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.185 18.682 -20.616 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.640 20.147 -21.159 1.00 0.00 H new ATOM 827 N ASN A 53 3.863 17.288 -13.222 1.00 0.00 N ATOM 828 CA ASN A 53 4.097 17.197 -11.787 1.00 0.00 C ATOM 829 C ASN A 53 2.760 17.059 -11.053 1.00 0.00 C ATOM 830 O ASN A 53 2.309 17.984 -10.383 1.00 0.00 O ATOM 831 CB ASN A 53 4.859 18.434 -11.294 1.00 0.00 C ATOM 832 CG ASN A 53 5.357 18.306 -9.866 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.933 17.425 -9.116 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.251 19.206 -9.480 1.00 0.00 N ATOM 0 H ASN A 53 3.120 17.932 -13.493 1.00 0.00 H new ATOM 0 HA ASN A 53 4.704 16.316 -11.578 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.709 18.614 -11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.208 19.305 -11.367 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.616 19.186 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.574 19.918 -10.135 1.00 0.00 H new ATOM 841 N PRO A 54 2.094 15.899 -11.200 1.00 0.00 N ATOM 842 CA PRO A 54 0.802 15.641 -10.555 1.00 0.00 C ATOM 843 C PRO A 54 0.907 15.503 -9.040 1.00 0.00 C ATOM 844 O PRO A 54 0.129 16.099 -8.301 1.00 0.00 O ATOM 845 CB PRO A 54 0.333 14.326 -11.185 1.00 0.00 C ATOM 846 CG PRO A 54 1.565 13.671 -11.709 1.00 0.00 C ATOM 847 CD PRO A 54 2.537 14.772 -12.035 1.00 0.00 C ATOM 0 HA PRO A 54 0.112 16.471 -10.708 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.164 13.694 -10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.384 14.509 -11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.986 12.990 -10.969 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.340 13.078 -12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.561 14.482 -11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.511 15.026 -13.095 1.00 0.00 H new ATOM 855 N ASP A 55 1.870 14.712 -8.590 1.00 0.00 N ATOM 856 CA ASP A 55 2.070 14.463 -7.165 1.00 0.00 C ATOM 857 C ASP A 55 2.414 15.739 -6.393 1.00 0.00 C ATOM 858 O ASP A 55 1.911 15.963 -5.291 1.00 0.00 O ATOM 859 CB ASP A 55 3.174 13.426 -6.972 1.00 0.00 C ATOM 860 CG ASP A 55 3.589 13.269 -5.527 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.823 12.681 -4.743 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 4.688 13.727 -5.172 1.00 0.00 O1- ATOM 0 H ASP A 55 2.532 14.226 -9.195 1.00 0.00 H new ATOM 0 HA ASP A 55 1.129 14.086 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.832 12.464 -7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.042 13.713 -7.565 1.00 0.00 H new ATOM 867 N GLY A 56 3.259 16.571 -6.982 1.00 0.00 N ATOM 868 CA GLY A 56 3.714 17.772 -6.311 1.00 0.00 C ATOM 869 C GLY A 56 5.121 17.619 -5.781 1.00 0.00 C ATOM 870 O GLY A 56 5.348 17.601 -4.572 1.00 0.00 O ATOM 0 H GLY A 56 3.640 16.435 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.676 18.612 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.039 18.007 -5.488 1.00 0.00 H new ATOM 874 N LYS A 57 6.066 17.472 -6.692 1.00 0.00 N ATOM 875 CA LYS A 57 7.471 17.393 -6.339 1.00 0.00 C ATOM 876 C LYS A 57 8.147 18.720 -6.649 1.00 0.00 C ATOM 877 O LYS A 57 7.472 19.692 -6.976 1.00 0.00 O ATOM 878 CB LYS A 57 8.149 16.256 -7.107 1.00 0.00 C ATOM 879 CG LYS A 57 7.564 14.877 -6.825 1.00 0.00 C ATOM 880 CD LYS A 57 8.159 14.221 -5.576 1.00 0.00 C ATOM 881 CE LYS A 57 7.918 15.011 -4.296 1.00 0.00 C ATOM 882 NZ LYS A 57 6.475 15.129 -3.955 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.882 17.404 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 57 7.562 17.186 -5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.074 16.459 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.210 16.246 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.484 14.964 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.737 14.231 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.734 13.224 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.232 14.096 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.443 14.528 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.344 16.008 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.157 16.104 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.924 14.477 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.334 14.888 -2.953 1.00 0.00 H new ATOM 896 N ARG A 59 9.466 18.755 -6.579 1.00 0.00 N ATOM 897 CA ARG A 59 10.206 19.994 -6.808 1.00 0.00 C ATOM 898 C ARG A 59 10.395 20.254 -8.297 1.00 0.00 C ATOM 899 O ARG A 59 10.731 21.363 -8.706 1.00 0.00 O ATOM 900 CB ARG A 59 11.565 19.917 -6.113 1.00 0.00 C ATOM 901 CG ARG A 59 12.484 18.849 -6.691 1.00 0.00 C ATOM 902 CD ARG A 59 13.657 18.561 -5.768 1.00 0.00 C ATOM 903 NE ARG A 59 14.494 19.738 -5.541 1.00 0.00 N ATOM 904 CZ ARG A 59 14.599 20.362 -4.365 1.00 0.00 C ATOM 905 NH1 ARG A 59 13.874 19.961 -3.326 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 15.415 21.401 -4.238 1.00 0.00 N ATOM 0 H ARG A 59 10.049 17.946 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 59 9.630 20.821 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.057 20.887 -6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.411 19.717 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.918 17.933 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.856 19.175 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.282 18.196 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.265 17.764 -6.196 1.00 0.00 H new ATOM 0 HE ARG A 59 15.030 20.104 -6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.234 19.173 -3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.958 20.441 -2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.961 21.722 -5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.496 21.879 -3.341 1.00 0.00 H new ATOM 920 N ALA A 60 10.174 19.227 -9.099 1.00 0.00 N ATOM 921 CA ALA A 60 10.380 19.319 -10.534 1.00 0.00 C ATOM 922 C ALA A 60 9.501 18.303 -11.254 1.00 0.00 C ATOM 923 O ALA A 60 8.972 17.390 -10.614 1.00 0.00 O ATOM 924 CB ALA A 60 11.851 19.091 -10.866 1.00 0.00 C ATOM 0 H ALA A 60 9.850 18.315 -8.778 1.00 0.00 H new ATOM 0 HA ALA A 60 10.101 20.317 -10.872 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.996 19.162 -11.944 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.458 19.847 -10.368 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.152 18.101 -10.524 1.00 0.00 H new ATOM 930 N PRO A 61 9.314 18.462 -12.579 1.00 0.00 N ATOM 931 CA PRO A 61 8.574 17.498 -13.399 1.00 0.00 C ATOM 932 C PRO A 61 9.098 16.086 -13.214 1.00 0.00 C ATOM 933 O PRO A 61 10.312 15.871 -13.127 1.00 0.00 O ATOM 934 CB PRO A 61 8.838 17.972 -14.828 1.00 0.00 C ATOM 935 CG PRO A 61 9.084 19.424 -14.694 1.00 0.00 C ATOM 936 CD PRO A 61 9.796 19.598 -13.382 1.00 0.00 C ATOM 0 HA PRO A 61 7.517 17.460 -13.137 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.697 17.462 -15.264 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.986 17.772 -15.477 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.690 19.796 -15.520 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.148 19.982 -14.708 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.879 19.572 -13.506 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.551 20.552 -12.916 1.00 0.00 H new ATOM 944 N TRP A 62 8.192 15.133 -13.155 1.00 0.00 N ATOM 945 CA TRP A 62 8.559 13.751 -12.951 1.00 0.00 C ATOM 946 C TRP A 62 7.577 12.846 -13.672 1.00 0.00 C ATOM 947 O TRP A 62 6.465 13.261 -13.992 1.00 0.00 O ATOM 948 CB TRP A 62 8.593 13.427 -11.454 1.00 0.00 C ATOM 949 CG TRP A 62 7.247 13.439 -10.789 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.613 14.503 -10.220 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.383 12.314 -10.609 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.397 14.110 -9.709 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.237 12.766 -9.933 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.470 10.968 -10.962 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.186 11.911 -9.602 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.433 10.127 -10.630 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.304 10.601 -9.955 1.00 0.00 C ATOM 0 H TRP A 62 7.189 15.294 -13.246 1.00 0.00 H new ATOM 0 HA TRP A 62 9.555 13.582 -13.360 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.044 12.444 -11.317 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.239 14.147 -10.953 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.007 15.508 -10.176 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.725 14.718 -9.241 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.336 10.592 -11.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.310 12.275 -9.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.492 9.082 -10.896 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.508 9.914 -9.708 1.00 0.00 H new ATOM 968 N CYS A 63 7.979 11.617 -13.932 1.00 0.00 N ATOM 969 CA CYS A 63 7.102 10.676 -14.597 1.00 0.00 C ATOM 970 C CYS A 63 7.417 9.255 -14.152 1.00 0.00 C ATOM 971 O CYS A 63 8.271 9.034 -13.296 1.00 0.00 O ATOM 972 CB CYS A 63 7.247 10.806 -16.116 1.00 0.00 C ATOM 973 SG CYS A 63 8.772 10.067 -16.775 1.00 0.00 S ATOM 0 H CYS A 63 8.900 11.250 -13.695 1.00 0.00 H new ATOM 0 HA CYS A 63 6.071 10.902 -14.324 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.389 10.334 -16.595 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.221 11.862 -16.385 1.00 0.00 H new ATOM 978 N HIS A 64 6.710 8.294 -14.723 1.00 0.00 N ATOM 979 CA HIS A 64 6.923 6.891 -14.404 1.00 0.00 C ATOM 980 C HIS A 64 7.702 6.252 -15.529 1.00 0.00 C ATOM 981 O HIS A 64 7.406 6.494 -16.686 1.00 0.00 O ATOM 982 CB HIS A 64 5.575 6.187 -14.209 1.00 0.00 C ATOM 983 CG HIS A 64 4.788 6.764 -13.081 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.807 7.718 -13.258 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.858 6.539 -11.751 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.308 8.051 -12.082 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.929 7.351 -11.157 1.00 0.00 N ATOM 0 H HIS A 64 5.979 8.461 -15.414 1.00 0.00 H new ATOM 0 HA HIS A 64 7.488 6.800 -13.476 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.994 6.260 -15.128 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.746 5.127 -14.024 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.521 5.849 -11.251 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.525 8.774 -11.909 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.747 7.405 -10.155 1.00 0.00 H new ATOM 996 N THR A 65 8.705 5.462 -15.205 1.00 0.00 N ATOM 997 CA THR A 65 9.542 4.881 -16.236 1.00 0.00 C ATOM 998 C THR A 65 8.898 3.617 -16.787 1.00 0.00 C ATOM 999 O THR A 65 8.227 2.883 -16.057 1.00 0.00 O ATOM 1000 CB THR A 65 10.952 4.559 -15.698 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.926 3.345 -14.944 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.461 5.696 -14.818 1.00 0.00 C ATOM 0 H THR A 65 8.959 5.210 -14.250 1.00 0.00 H new ATOM 0 HA THR A 65 9.642 5.614 -17.037 1.00 0.00 H new ATOM 0 HB THR A 65 11.624 4.441 -16.548 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.837 3.554 -13.991 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.457 5.452 -14.447 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.507 6.615 -15.402 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.784 5.835 -13.975 1.00 0.00 H new ATOM 1010 N THR A 66 9.063 3.390 -18.081 1.00 0.00 N ATOM 1011 CA THR A 66 8.614 2.160 -18.711 1.00 0.00 C ATOM 1012 C THR A 66 9.579 1.009 -18.434 1.00 0.00 C ATOM 1013 O THR A 66 9.615 0.019 -19.165 1.00 0.00 O ATOM 1014 CB THR A 66 8.478 2.349 -20.228 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.665 2.965 -20.745 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.270 3.208 -20.553 1.00 0.00 C ATOM 0 H THR A 66 9.509 4.049 -18.720 1.00 0.00 H new ATOM 0 HA THR A 66 7.642 1.913 -18.285 1.00 0.00 H new ATOM 0 HB THR A 66 8.343 1.372 -20.691 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.000 2.444 -21.504 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.191 3.330 -21.633 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.368 2.726 -20.175 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.382 4.186 -20.084 1.00 0.00 H new ATOM 1024 N ASN A 67 10.356 1.146 -17.371 1.00 0.00 N ATOM 1025 CA ASN A 67 11.359 0.151 -17.021 1.00 0.00 C ATOM 1026 C ASN A 67 11.057 -0.445 -15.656 1.00 0.00 C ATOM 1027 O ASN A 67 10.527 0.235 -14.781 1.00 0.00 O ATOM 1028 CB ASN A 67 12.754 0.785 -17.013 1.00 0.00 C ATOM 1029 CG ASN A 67 13.171 1.300 -18.379 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.790 0.583 -19.160 1.00 0.00 O ATOM 1031 ND2 ASN A 67 12.844 2.552 -18.673 1.00 0.00 N ATOM 0 H ASN A 67 10.311 1.940 -16.733 1.00 0.00 H new ATOM 0 HA ASN A 67 11.334 -0.643 -17.767 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.771 1.608 -16.298 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.481 0.049 -16.669 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.108 2.950 -19.575 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.329 3.117 -17.997 1.00 0.00 H new ATOM 1038 N SER A 68 11.398 -1.714 -15.479 1.00 0.00 N ATOM 1039 CA SER A 68 11.181 -2.399 -14.210 1.00 0.00 C ATOM 1040 C SER A 68 12.351 -2.138 -13.263 1.00 0.00 C ATOM 1041 O SER A 68 12.415 -2.681 -12.163 1.00 0.00 O ATOM 1042 CB SER A 68 11.026 -3.902 -14.451 1.00 0.00 C ATOM 1043 OG SER A 68 10.141 -4.150 -15.532 1.00 0.00 O ATOM 0 H SER A 68 11.828 -2.293 -16.201 1.00 0.00 H new ATOM 0 HA SER A 68 10.269 -2.016 -13.753 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.000 -4.343 -14.664 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.649 -4.383 -13.548 1.00 0.00 H new ATOM 0 HG SER A 68 10.057 -5.116 -15.671 1.00 0.00 H new ATOM 1049 N GLN A 69 13.272 -1.299 -13.715 1.00 0.00 N ATOM 1050 CA GLN A 69 14.464 -0.963 -12.952 1.00 0.00 C ATOM 1051 C GLN A 69 14.119 0.026 -11.854 1.00 0.00 C ATOM 1052 O GLN A 69 14.432 -0.174 -10.681 1.00 0.00 O ATOM 1053 CB GLN A 69 15.496 -0.319 -13.873 1.00 0.00 C ATOM 1054 CG GLN A 69 15.715 -1.062 -15.171 1.00 0.00 C ATOM 1055 CD GLN A 69 16.456 -0.221 -16.188 1.00 0.00 C ATOM 1056 OE1 GLN A 69 16.321 1.002 -16.212 1.00 0.00 O ATOM 1057 NE2 GLN A 69 17.237 -0.864 -17.034 1.00 0.00 N ATOM 0 H GLN A 69 13.213 -0.833 -14.620 1.00 0.00 H new ATOM 0 HA GLN A 69 14.866 -1.877 -12.513 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.180 0.699 -14.099 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.446 -0.248 -13.343 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.278 -1.974 -14.976 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.752 -1.364 -15.583 1.00 0.00 H new ATOM 0 HE21 GLN A 69 17.321 -1.879 -16.980 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.757 -0.346 -17.742 1.00 0.00 H new ATOM 1066 N VAL A 70 13.458 1.092 -12.262 1.00 0.00 N ATOM 1067 CA VAL A 70 13.186 2.217 -11.399 1.00 0.00 C ATOM 1068 C VAL A 70 11.704 2.573 -11.454 1.00 0.00 C ATOM 1069 O VAL A 70 11.046 2.355 -12.468 1.00 0.00 O ATOM 1070 CB VAL A 70 14.055 3.422 -11.830 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.858 3.714 -13.305 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.767 4.658 -10.994 1.00 0.00 C ATOM 0 H VAL A 70 13.094 1.199 -13.209 1.00 0.00 H new ATOM 0 HA VAL A 70 13.436 1.954 -10.371 1.00 0.00 H new ATOM 0 HB VAL A 70 15.098 3.154 -11.660 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.476 4.564 -13.593 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.146 2.841 -13.890 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.810 3.947 -13.493 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.399 5.480 -11.330 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.719 4.937 -11.106 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.976 4.445 -9.946 1.00 0.00 H new ATOM 1082 N ARG A 71 11.183 3.094 -10.361 1.00 0.00 N ATOM 1083 CA ARG A 71 9.780 3.468 -10.282 1.00 0.00 C ATOM 1084 C ARG A 71 9.531 4.761 -11.067 1.00 0.00 C ATOM 1085 O ARG A 71 9.348 4.734 -12.289 1.00 0.00 O ATOM 1086 CB ARG A 71 9.384 3.620 -8.806 1.00 0.00 C ATOM 1087 CG ARG A 71 7.943 4.030 -8.552 1.00 0.00 C ATOM 1088 CD ARG A 71 7.707 4.231 -7.063 1.00 0.00 C ATOM 1089 NE ARG A 71 8.843 4.909 -6.424 1.00 0.00 N ATOM 1090 CZ ARG A 71 8.895 5.233 -5.134 1.00 0.00 C ATOM 1091 NH1 ARG A 71 7.834 5.061 -4.359 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 10.008 5.750 -4.624 1.00 0.00 N ATOM 0 H ARG A 71 11.713 3.270 -9.507 1.00 0.00 H new ATOM 0 HA ARG A 71 9.162 2.690 -10.730 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.568 2.673 -8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.040 4.360 -8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.719 4.951 -9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.267 3.265 -8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.801 4.818 -6.913 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.544 3.265 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 71 9.645 5.147 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.973 4.679 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.878 5.311 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.822 5.898 -5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.049 5.999 -3.636 1.00 0.00 H new ATOM 1106 N TRP A 72 9.494 5.880 -10.364 1.00 0.00 N ATOM 1107 CA TRP A 72 9.366 7.179 -10.999 1.00 0.00 C ATOM 1108 C TRP A 72 10.736 7.827 -11.167 1.00 0.00 C ATOM 1109 O TRP A 72 11.709 7.396 -10.545 1.00 0.00 O ATOM 1110 CB TRP A 72 8.422 8.079 -10.197 1.00 0.00 C ATOM 1111 CG TRP A 72 8.937 8.481 -8.849 1.00 0.00 C ATOM 1112 CD1 TRP A 72 9.037 7.700 -7.738 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.404 9.777 -8.471 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.536 8.430 -6.689 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.770 9.712 -7.116 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.549 10.987 -9.152 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.271 10.815 -6.428 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.043 12.078 -8.471 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.399 11.988 -7.122 1.00 0.00 C ATOM 0 H TRP A 72 9.551 5.914 -9.346 1.00 0.00 H new ATOM 0 HA TRP A 72 8.935 7.042 -11.991 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.220 8.979 -10.777 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.471 7.562 -10.068 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.763 6.656 -7.690 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.705 8.077 -5.747 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.279 11.066 -10.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.548 10.747 -5.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.157 13.019 -8.988 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.783 12.862 -6.617 1.00 0.00 H new ATOM 1130 N GLU A 73 10.804 8.867 -11.987 1.00 0.00 N ATOM 1131 CA GLU A 73 12.042 9.608 -12.181 1.00 0.00 C ATOM 1132 C GLU A 73 11.731 11.059 -12.512 1.00 0.00 C ATOM 1133 O GLU A 73 10.704 11.354 -13.127 1.00 0.00 O ATOM 1134 CB GLU A 73 12.877 8.990 -13.305 1.00 0.00 C ATOM 1135 CG GLU A 73 14.320 8.721 -12.909 1.00 0.00 C ATOM 1136 CD GLU A 73 15.072 7.907 -13.940 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.404 8.449 -15.019 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.337 6.719 -13.677 1.00 0.00 O1- ATOM 0 H GLU A 73 10.014 9.217 -12.529 1.00 0.00 H new ATOM 0 HA GLU A 73 12.617 9.561 -11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.414 8.054 -13.619 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.863 9.657 -14.167 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.833 9.671 -12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.337 8.195 -11.955 1.00 0.00 H new ATOM 1145 N TYR A 74 12.611 11.957 -12.083 1.00 0.00 N ATOM 1146 CA TYR A 74 12.478 13.374 -12.394 1.00 0.00 C ATOM 1147 C TYR A 74 12.849 13.638 -13.840 1.00 0.00 C ATOM 1148 O TYR A 74 13.415 12.779 -14.512 1.00 0.00 O ATOM 1149 CB TYR A 74 13.391 14.224 -11.505 1.00 0.00 C ATOM 1150 CG TYR A 74 12.872 14.471 -10.109 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.696 15.177 -9.902 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.573 14.021 -8.997 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.232 15.430 -8.622 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.114 14.267 -7.716 1.00 0.00 C ATOM 1155 CZ TYR A 74 11.944 14.972 -7.535 1.00 0.00 C ATOM 1156 OH TYR A 74 11.483 15.225 -6.261 1.00 0.00 O ATOM 0 H TYR A 74 13.427 11.726 -11.516 1.00 0.00 H new ATOM 0 HA TYR A 74 11.438 13.646 -12.215 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.362 13.734 -11.434 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.554 15.186 -11.991 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.134 15.535 -10.752 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.492 13.470 -9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.316 15.984 -8.476 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.670 13.909 -6.862 1.00 0.00 H new ATOM 0 HH TYR A 74 12.099 14.834 -5.607 1.00 0.00 H new ATOM 1166 N CYS A 75 12.546 14.836 -14.302 1.00 0.00 N ATOM 1167 CA CYS A 75 12.950 15.275 -15.629 1.00 0.00 C ATOM 1168 C CYS A 75 13.606 16.643 -15.534 1.00 0.00 C ATOM 1169 O CYS A 75 13.093 17.541 -14.862 1.00 0.00 O ATOM 1170 CB CYS A 75 11.752 15.365 -16.569 1.00 0.00 C ATOM 1171 SG CYS A 75 10.645 13.923 -16.550 1.00 0.00 S ATOM 0 H CYS A 75 12.017 15.530 -13.774 1.00 0.00 H new ATOM 0 HA CYS A 75 13.653 14.544 -16.028 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.173 16.251 -16.310 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.118 15.509 -17.586 1.00 0.00 H new ATOM 1176 N LYS A 76 14.723 16.816 -16.214 1.00 0.00 N ATOM 1177 CA LYS A 76 15.435 18.075 -16.144 1.00 0.00 C ATOM 1178 C LYS A 76 14.981 19.011 -17.251 1.00 0.00 C ATOM 1179 O LYS A 76 15.515 18.998 -18.362 1.00 0.00 O ATOM 1180 CB LYS A 76 16.948 17.872 -16.207 1.00 0.00 C ATOM 1181 CG LYS A 76 17.715 19.172 -16.039 1.00 0.00 C ATOM 1182 CD LYS A 76 19.194 18.932 -15.800 1.00 0.00 C ATOM 1183 CE LYS A 76 19.868 20.179 -15.253 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.368 20.518 -13.895 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.152 16.111 -16.813 1.00 0.00 H new ATOM 0 HA LYS A 76 15.200 18.529 -15.181 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.250 17.172 -15.428 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.211 17.419 -17.163 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.587 19.786 -16.930 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.299 19.733 -15.202 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.323 18.107 -15.099 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.673 18.635 -16.733 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.946 20.025 -15.217 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.688 21.016 -15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.083 21.081 -13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.489 21.068 -13.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.181 19.643 -13.365 1.00 0.00 H new ATOM 1198 N ILE A 77 13.966 19.794 -16.947 1.00 0.00 N ATOM 1199 CA ILE A 77 13.525 20.845 -17.846 1.00 0.00 C ATOM 1200 C ILE A 77 14.408 22.074 -17.610 1.00 0.00 C ATOM 1201 O ILE A 77 14.861 22.285 -16.485 1.00 0.00 O ATOM 1202 CB ILE A 77 12.031 21.199 -17.602 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.169 19.932 -17.547 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.499 22.145 -18.668 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.397 18.961 -18.685 1.00 0.00 C ATOM 0 H ILE A 77 13.429 19.723 -16.083 1.00 0.00 H new ATOM 0 HA ILE A 77 13.614 20.505 -18.878 1.00 0.00 H new ATOM 0 HB ILE A 77 11.973 21.706 -16.639 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.362 19.418 -16.605 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.119 20.224 -17.541 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.452 22.370 -18.465 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.078 23.069 -18.656 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.586 21.675 -19.648 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.745 18.097 -18.562 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.174 19.452 -19.632 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.437 18.634 -18.682 1.00 0.00 H new ATOM 1217 N PRO A 78 14.704 22.880 -18.654 1.00 0.00 N ATOM 1218 CA PRO A 78 15.499 24.107 -18.508 1.00 0.00 C ATOM 1219 C PRO A 78 14.802 25.107 -17.595 1.00 0.00 C ATOM 1220 O PRO A 78 13.846 24.769 -16.920 1.00 0.00 O ATOM 1221 CB PRO A 78 15.598 24.649 -19.938 1.00 0.00 C ATOM 1222 CG PRO A 78 15.321 23.472 -20.798 1.00 0.00 C ATOM 1223 CD PRO A 78 14.301 22.674 -20.049 1.00 0.00 C ATOM 0 HA PRO A 78 16.474 23.924 -18.056 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.876 25.447 -20.112 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.586 25.064 -20.138 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.944 23.777 -21.774 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.226 22.890 -20.973 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.288 23.031 -20.236 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.325 21.620 -20.328 1.00 0.00 H new