USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 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 16 THR OG1 : rot 0:sc= 0.91 USER MOD Set 1.2: A 20 HIS : no HE2:sc= -2.47 K(o=-6.1,f=-3.8!) USER MOD Set 1.3: A 67 ASN : amide:sc= -4.57! K(o=-6.1!,f=-3.8) USER MOD Set 2.1: A 24 HIS : no HD1:sc= 0 K(o=-5.2,f=-2.2) USER MOD Set 2.2: A 49 ASN : amide:sc= -5.17! C(o=-5.2!,f=-2.2!) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.76! C(o=-9.8!,f=-9.2!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -7.04! C(o=-9.8!,f=-8.5!) USER MOD Set 3.3: A 64 HIS : no HD1:sc= -1.04 X(o=-9.8,f=-9.4) USER MOD Single : A 1 CYS N :NH3+ -149:sc= 0.462 (180deg=0.0797) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.193 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 8 ASN : amide:sc= 0.056 K(o=0.056,f=-4.4!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -3.29! C(o=-3.3!,f=-9.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 28 GLN : amide:sc= -0.0196 K(o=-0.02,f=-0.64) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.316 K(o=-0.32,f=-5.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.912 K(o=0.91,f=-2.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00474 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 1.33 (180deg=0.826) USER MOD Single : A 45 ASN : amide:sc= -1.9! K(o=-1.9!,f=-0.0086) USER MOD Single : A 50 TYR OH : rot 92:sc= 0.901 USER MOD Single : A 53 ASN : amide:sc= 1.79 K(o=1.8,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ -116:sc= 1.24 (180deg=-0.422) USER MOD Single : A 65 THR OG1 : rot -68:sc= -0.817! USER MOD Single : A 66 THR OG1 : rot 130:sc= -1.58! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.884 K(o=-0.88,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= -0.0203 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 11.028 26.496 -21.186 1.00 0.00 N ATOM 56 CA CYS A 1 11.775 26.286 -19.964 1.00 0.00 C ATOM 57 C CYS A 1 10.850 25.879 -18.827 1.00 0.00 C ATOM 58 O CYS A 1 9.629 25.865 -18.988 1.00 0.00 O ATOM 59 CB CYS A 1 12.551 27.553 -19.606 1.00 0.00 C ATOM 60 SG CYS A 1 11.579 29.095 -19.674 1.00 0.00 S ATOM 0 H1 CYS A 1 11.624 26.255 -22.003 1.00 0.00 H new ATOM 0 H2 CYS A 1 10.182 25.891 -21.184 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.740 27.493 -21.250 1.00 0.00 H new ATOM 0 HA CYS A 1 12.484 25.473 -20.122 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.957 27.441 -18.601 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.399 27.645 -20.284 1.00 0.00 H new ATOM 0 HG CYS A 1 12.337 30.100 -19.350 1.00 0.00 H new ATOM 65 N LEU A 2 11.430 25.532 -17.691 1.00 0.00 N ATOM 66 CA LEU A 2 10.651 25.064 -16.553 1.00 0.00 C ATOM 67 C LEU A 2 10.063 26.223 -15.745 1.00 0.00 C ATOM 68 O LEU A 2 10.381 27.387 -15.979 1.00 0.00 O ATOM 69 CB LEU A 2 11.532 24.183 -15.665 1.00 0.00 C ATOM 70 CG LEU A 2 10.819 23.444 -14.542 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.612 22.706 -15.090 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.776 22.482 -13.858 1.00 0.00 C ATOM 0 H LEU A 2 12.437 25.565 -17.530 1.00 0.00 H new ATOM 0 HA LEU A 2 9.810 24.482 -16.931 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.031 23.449 -16.297 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.310 24.807 -15.226 1.00 0.00 H new ATOM 0 HG LEU A 2 10.474 24.166 -13.802 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.108 22.180 -14.279 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.924 23.420 -15.543 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.936 21.987 -15.843 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.255 21.959 -13.056 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.145 21.758 -14.584 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.616 23.039 -13.442 1.00 0.00 H new ATOM 84 N LYS A 3 9.190 25.878 -14.807 1.00 0.00 N ATOM 85 CA LYS A 3 8.551 26.843 -13.925 1.00 0.00 C ATOM 86 C LYS A 3 8.625 26.357 -12.478 1.00 0.00 C ATOM 87 O LYS A 3 7.605 26.159 -11.815 1.00 0.00 O ATOM 88 CB LYS A 3 7.088 27.051 -14.333 1.00 0.00 C ATOM 89 CG LYS A 3 6.315 25.749 -14.510 1.00 0.00 C ATOM 90 CD LYS A 3 4.805 25.975 -14.544 1.00 0.00 C ATOM 91 CE LYS A 3 4.424 27.156 -15.426 1.00 0.00 C ATOM 92 NZ LYS A 3 2.972 27.474 -15.343 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.904 24.914 -14.637 1.00 0.00 H new ATOM 0 HA LYS A 3 9.076 27.794 -14.009 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.591 27.659 -13.577 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.056 27.613 -15.266 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.629 25.265 -15.435 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.561 25.069 -13.694 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.312 25.075 -14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.441 26.147 -13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.003 28.030 -15.130 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.687 26.935 -16.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.758 28.284 -15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.418 26.649 -15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.724 27.711 -14.361 1.00 0.00 H new ATOM 106 N GLY A 4 9.841 26.147 -11.998 1.00 0.00 N ATOM 107 CA GLY A 4 10.026 25.633 -10.656 1.00 0.00 C ATOM 108 C GLY A 4 9.645 24.169 -10.547 1.00 0.00 C ATOM 109 O GLY A 4 10.452 23.290 -10.844 1.00 0.00 O ATOM 0 H GLY A 4 10.704 26.323 -12.513 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.068 25.759 -10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.424 26.216 -9.959 1.00 0.00 H new ATOM 113 N THR A 5 8.407 23.909 -10.145 1.00 0.00 N ATOM 114 CA THR A 5 7.928 22.544 -9.982 1.00 0.00 C ATOM 115 C THR A 5 7.438 21.962 -11.307 1.00 0.00 C ATOM 116 O THR A 5 7.368 20.748 -11.479 1.00 0.00 O ATOM 117 CB THR A 5 6.804 22.470 -8.934 1.00 0.00 C ATOM 118 OG1 THR A 5 5.856 23.527 -9.153 1.00 0.00 O ATOM 119 CG2 THR A 5 7.371 22.564 -7.527 1.00 0.00 C ATOM 0 H THR A 5 7.717 24.627 -9.926 1.00 0.00 H new ATOM 0 HA THR A 5 8.772 21.949 -9.634 1.00 0.00 H new ATOM 0 HB THR A 5 6.300 21.509 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.143 23.471 -8.483 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.558 22.510 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.064 21.739 -7.358 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.899 23.511 -7.410 1.00 0.00 H new ATOM 127 N GLY A 6 7.091 22.865 -12.227 1.00 0.00 N ATOM 128 CA GLY A 6 6.744 22.496 -13.589 1.00 0.00 C ATOM 129 C GLY A 6 5.549 21.584 -13.699 1.00 0.00 C ATOM 130 O GLY A 6 5.540 20.688 -14.540 1.00 0.00 O ATOM 0 H GLY A 6 7.045 23.867 -12.044 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.548 23.403 -14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.602 22.008 -14.051 1.00 0.00 H new ATOM 134 N GLU A 7 4.534 21.838 -12.888 1.00 0.00 N ATOM 135 CA GLU A 7 3.324 21.027 -12.891 1.00 0.00 C ATOM 136 C GLU A 7 2.713 20.984 -14.281 1.00 0.00 C ATOM 137 O GLU A 7 2.598 19.923 -14.895 1.00 0.00 O ATOM 138 CB GLU A 7 2.309 21.591 -11.897 1.00 0.00 C ATOM 139 CG GLU A 7 2.788 21.559 -10.456 1.00 0.00 C ATOM 140 CD GLU A 7 1.732 22.022 -9.478 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.310 23.191 -9.561 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.315 21.215 -8.620 1.00 0.00 O1- ATOM 0 H GLU A 7 4.524 22.604 -12.215 1.00 0.00 H new ATOM 0 HA GLU A 7 3.590 20.013 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.077 22.620 -12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.382 21.024 -11.976 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.093 20.544 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.671 22.191 -10.357 1.00 0.00 H new ATOM 149 N ASN A 8 2.335 22.150 -14.770 1.00 0.00 N ATOM 150 CA ASN A 8 1.738 22.274 -16.089 1.00 0.00 C ATOM 151 C ASN A 8 2.519 23.263 -16.955 1.00 0.00 C ATOM 152 O ASN A 8 1.933 23.944 -17.792 1.00 0.00 O ATOM 153 CB ASN A 8 0.277 22.725 -15.958 1.00 0.00 C ATOM 154 CG ASN A 8 0.131 24.124 -15.373 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.999 24.608 -14.639 1.00 0.00 O ATOM 156 ND2 ASN A 8 -0.977 24.776 -15.686 1.00 0.00 N ATOM 0 H ASN A 8 2.432 23.033 -14.269 1.00 0.00 H new ATOM 0 HA ASN A 8 1.773 21.299 -16.575 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.194 22.698 -16.940 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.260 22.017 -15.327 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.138 25.713 -15.318 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.670 24.341 -16.296 1.00 0.00 H new ATOM 163 N TYR A 9 3.847 23.316 -16.751 1.00 0.00 N ATOM 164 CA TYR A 9 4.735 24.235 -17.483 1.00 0.00 C ATOM 165 C TYR A 9 4.334 24.402 -18.958 1.00 0.00 C ATOM 166 O TYR A 9 3.754 25.417 -19.336 1.00 0.00 O ATOM 167 CB TYR A 9 6.217 23.792 -17.355 1.00 0.00 C ATOM 168 CG TYR A 9 6.556 22.417 -17.924 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.734 21.313 -17.712 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.706 22.232 -18.684 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.045 20.078 -18.242 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.021 20.997 -19.217 1.00 0.00 C ATOM 173 CZ TYR A 9 7.191 19.924 -18.993 1.00 0.00 C ATOM 174 OH TYR A 9 7.495 18.697 -19.538 1.00 0.00 O ATOM 0 H TYR A 9 4.333 22.725 -16.076 1.00 0.00 H new ATOM 0 HA TYR A 9 4.624 25.215 -17.018 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.841 24.533 -17.853 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.489 23.804 -16.300 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.837 21.426 -17.122 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.365 23.069 -18.861 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.393 19.235 -18.069 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.917 20.875 -19.808 1.00 0.00 H new ATOM 0 HH TYR A 9 8.335 18.760 -20.038 1.00 0.00 H new ATOM 184 N ARG A 10 4.672 23.433 -19.792 1.00 0.00 N ATOM 185 CA ARG A 10 4.253 23.429 -21.175 1.00 0.00 C ATOM 186 C ARG A 10 3.677 22.070 -21.532 1.00 0.00 C ATOM 187 O ARG A 10 2.464 21.900 -21.637 1.00 0.00 O ATOM 188 CB ARG A 10 5.439 23.751 -22.090 1.00 0.00 C ATOM 189 CG ARG A 10 5.971 25.153 -21.926 1.00 0.00 C ATOM 190 CD ARG A 10 6.936 25.234 -20.765 1.00 0.00 C ATOM 191 NE ARG A 10 7.467 26.584 -20.558 1.00 0.00 N ATOM 192 CZ ARG A 10 6.727 27.665 -20.263 1.00 0.00 C ATOM 193 NH1 ARG A 10 5.406 27.578 -20.150 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.320 28.836 -20.064 1.00 0.00 N ATOM 0 H ARG A 10 5.243 22.631 -19.526 1.00 0.00 H new ATOM 0 HA ARG A 10 3.487 24.192 -21.315 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.242 23.042 -21.891 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.136 23.606 -23.127 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.472 25.465 -22.842 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.143 25.843 -21.764 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.432 24.904 -19.857 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.764 24.546 -20.938 1.00 0.00 H new ATOM 0 HE ARG A 10 8.475 26.712 -20.645 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.940 26.681 -20.288 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.858 28.408 -19.925 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.335 28.913 -20.135 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.761 29.659 -19.840 1.00 0.00 H new ATOM 208 N GLY A 11 4.559 21.095 -21.658 1.00 0.00 N ATOM 209 CA GLY A 11 4.153 19.769 -22.060 1.00 0.00 C ATOM 210 C GLY A 11 4.956 19.308 -23.249 1.00 0.00 C ATOM 211 O GLY A 11 4.403 18.905 -24.267 1.00 0.00 O ATOM 0 H GLY A 11 5.559 21.200 -21.487 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.288 19.074 -21.231 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.092 19.767 -22.308 1.00 0.00 H new ATOM 215 N ASN A 12 6.270 19.393 -23.116 1.00 0.00 N ATOM 216 CA ASN A 12 7.171 19.071 -24.215 1.00 0.00 C ATOM 217 C ASN A 12 7.945 17.788 -23.941 1.00 0.00 C ATOM 218 O ASN A 12 7.736 16.778 -24.613 1.00 0.00 O ATOM 219 CB ASN A 12 8.136 20.237 -24.489 1.00 0.00 C ATOM 220 CG ASN A 12 8.602 20.943 -23.222 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.532 20.503 -22.554 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.974 22.065 -22.897 1.00 0.00 N ATOM 0 H ASN A 12 6.738 19.682 -22.257 1.00 0.00 H new ATOM 0 HA ASN A 12 6.562 18.910 -25.105 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.006 19.861 -25.028 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.645 20.960 -25.140 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.261 22.589 -22.070 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.204 22.404 -23.474 1.00 0.00 H new ATOM 229 N VAL A 13 8.832 17.827 -22.955 1.00 0.00 N ATOM 230 CA VAL A 13 9.636 16.671 -22.601 1.00 0.00 C ATOM 231 C VAL A 13 8.768 15.516 -22.108 1.00 0.00 C ATOM 232 O VAL A 13 7.955 15.673 -21.194 1.00 0.00 O ATOM 233 CB VAL A 13 10.675 17.045 -21.529 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.444 15.819 -21.067 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.622 18.105 -22.070 1.00 0.00 C ATOM 0 H VAL A 13 9.011 18.654 -22.385 1.00 0.00 H new ATOM 0 HA VAL A 13 10.155 16.343 -23.501 1.00 0.00 H new ATOM 0 HB VAL A 13 10.151 17.453 -20.665 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.172 16.110 -20.310 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.750 15.093 -20.643 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.962 15.373 -21.916 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.354 18.364 -21.305 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.137 17.718 -22.949 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.054 18.994 -22.344 1.00 0.00 H new ATOM 245 N ALA A 14 8.944 14.363 -22.735 1.00 0.00 N ATOM 246 CA ALA A 14 8.191 13.166 -22.393 1.00 0.00 C ATOM 247 C ALA A 14 9.148 12.027 -22.035 1.00 0.00 C ATOM 248 O ALA A 14 8.813 10.843 -22.144 1.00 0.00 O ATOM 249 CB ALA A 14 7.293 12.777 -23.554 1.00 0.00 C ATOM 0 H ALA A 14 9.612 14.231 -23.494 1.00 0.00 H new ATOM 0 HA ALA A 14 7.565 13.368 -21.524 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.731 11.880 -23.294 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.600 13.591 -23.767 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.903 12.580 -24.436 1.00 0.00 H new ATOM 255 N VAL A 15 10.348 12.408 -21.617 1.00 0.00 N ATOM 256 CA VAL A 15 11.398 11.467 -21.251 1.00 0.00 C ATOM 257 C VAL A 15 12.066 11.948 -19.969 1.00 0.00 C ATOM 258 O VAL A 15 12.238 13.150 -19.774 1.00 0.00 O ATOM 259 CB VAL A 15 12.453 11.339 -22.380 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.628 10.473 -21.947 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.821 10.766 -23.642 1.00 0.00 C ATOM 0 H VAL A 15 10.622 13.386 -21.522 1.00 0.00 H new ATOM 0 HA VAL A 15 10.953 10.484 -21.097 1.00 0.00 H new ATOM 0 HB VAL A 15 12.828 12.340 -22.594 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.349 10.404 -22.762 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.107 10.919 -21.075 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.270 9.475 -21.693 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.577 10.684 -24.423 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.412 9.779 -23.428 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.021 11.425 -23.980 1.00 0.00 H new ATOM 271 N THR A 16 12.419 11.015 -19.096 1.00 0.00 N ATOM 272 CA THR A 16 13.025 11.357 -17.814 1.00 0.00 C ATOM 273 C THR A 16 14.360 12.085 -17.997 1.00 0.00 C ATOM 274 O THR A 16 14.850 12.231 -19.119 1.00 0.00 O ATOM 275 CB THR A 16 13.258 10.099 -16.952 1.00 0.00 C ATOM 276 OG1 THR A 16 14.212 9.237 -17.589 1.00 0.00 O ATOM 277 CG2 THR A 16 11.961 9.335 -16.730 1.00 0.00 C ATOM 0 H THR A 16 12.297 10.014 -19.251 1.00 0.00 H new ATOM 0 HA THR A 16 12.324 12.020 -17.307 1.00 0.00 H new ATOM 0 HB THR A 16 13.640 10.424 -15.984 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.506 9.641 -18.432 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.158 8.454 -16.119 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.243 9.977 -16.220 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.552 9.026 -17.692 1.00 0.00 H new ATOM 285 N VAL A 17 14.958 12.531 -16.899 1.00 0.00 N ATOM 286 CA VAL A 17 16.271 13.162 -16.952 1.00 0.00 C ATOM 287 C VAL A 17 17.309 12.199 -17.546 1.00 0.00 C ATOM 288 O VAL A 17 18.280 12.613 -18.182 1.00 0.00 O ATOM 289 CB VAL A 17 16.707 13.665 -15.553 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.689 12.543 -14.524 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.074 14.332 -15.610 1.00 0.00 C ATOM 0 H VAL A 17 14.556 12.468 -15.964 1.00 0.00 H new ATOM 0 HA VAL A 17 16.204 14.032 -17.605 1.00 0.00 H new ATOM 0 HB VAL A 17 15.981 14.413 -15.235 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.000 12.933 -13.555 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.680 12.138 -14.445 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.374 11.754 -14.834 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.353 14.675 -14.614 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.814 13.616 -15.968 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.035 15.184 -16.289 1.00 0.00 H new ATOM 301 N SER A 18 17.076 10.909 -17.360 1.00 0.00 N ATOM 302 CA SER A 18 17.893 9.883 -17.985 1.00 0.00 C ATOM 303 C SER A 18 17.125 9.253 -19.150 1.00 0.00 C ATOM 304 O SER A 18 16.014 9.675 -19.462 1.00 0.00 O ATOM 305 CB SER A 18 18.278 8.835 -16.945 1.00 0.00 C ATOM 306 OG SER A 18 18.906 9.447 -15.832 1.00 0.00 O ATOM 0 H SER A 18 16.322 10.547 -16.777 1.00 0.00 H new ATOM 0 HA SER A 18 18.808 10.325 -18.380 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.389 8.296 -16.617 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.950 8.101 -17.391 1.00 0.00 H new ATOM 0 HG SER A 18 19.145 8.762 -15.174 1.00 0.00 H new ATOM 312 N GLY A 19 17.705 8.240 -19.782 1.00 0.00 N ATOM 313 CA GLY A 19 17.105 7.657 -20.975 1.00 0.00 C ATOM 314 C GLY A 19 15.967 6.684 -20.693 1.00 0.00 C ATOM 315 O GLY A 19 15.871 5.640 -21.340 1.00 0.00 O ATOM 0 H GLY A 19 18.582 7.808 -19.492 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.731 8.461 -21.609 1.00 0.00 H new ATOM 0 HA3 GLY A 19 17.879 7.138 -21.540 1.00 0.00 H new ATOM 319 N HIS A 20 15.124 7.002 -19.711 1.00 0.00 N ATOM 320 CA HIS A 20 13.911 6.224 -19.466 1.00 0.00 C ATOM 321 C HIS A 20 12.746 6.854 -20.217 1.00 0.00 C ATOM 322 O HIS A 20 12.562 8.070 -20.164 1.00 0.00 O ATOM 323 CB HIS A 20 13.537 6.165 -17.979 1.00 0.00 C ATOM 324 CG HIS A 20 14.657 5.839 -17.044 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.447 6.801 -16.456 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.098 4.653 -16.575 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.332 6.217 -15.669 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.142 4.914 -15.722 1.00 0.00 N ATOM 0 H HIS A 20 15.258 7.789 -19.076 1.00 0.00 H new ATOM 0 HA HIS A 20 14.111 5.209 -19.811 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.115 7.128 -17.690 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.751 5.421 -17.850 1.00 0.00 H new ATOM 0 HD1 HIS A 20 15.362 7.807 -16.605 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.703 3.679 -16.824 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.084 6.722 -15.081 1.00 0.00 H new ATOM 337 N THR A 21 11.966 6.043 -20.898 1.00 0.00 N ATOM 338 CA THR A 21 10.736 6.516 -21.506 1.00 0.00 C ATOM 339 C THR A 21 9.695 6.783 -20.426 1.00 0.00 C ATOM 340 O THR A 21 9.443 5.923 -19.576 1.00 0.00 O ATOM 341 CB THR A 21 10.186 5.489 -22.519 1.00 0.00 C ATOM 342 OG1 THR A 21 10.992 5.490 -23.705 1.00 0.00 O ATOM 343 CG2 THR A 21 8.731 5.767 -22.879 1.00 0.00 C ATOM 0 H THR A 21 12.159 5.053 -21.046 1.00 0.00 H new ATOM 0 HA THR A 21 10.954 7.441 -22.041 1.00 0.00 H new ATOM 0 HB THR A 21 10.228 4.507 -22.048 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.638 4.835 -24.342 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.384 5.021 -23.594 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.118 5.719 -21.979 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.649 6.760 -23.322 1.00 0.00 H new ATOM 351 N CYS A 22 9.134 7.986 -20.420 1.00 0.00 N ATOM 352 CA CYS A 22 8.046 8.290 -19.515 1.00 0.00 C ATOM 353 C CYS A 22 6.818 7.474 -19.881 1.00 0.00 C ATOM 354 O CYS A 22 6.238 7.652 -20.947 1.00 0.00 O ATOM 355 CB CYS A 22 7.706 9.776 -19.531 1.00 0.00 C ATOM 356 SG CYS A 22 8.895 10.830 -18.643 1.00 0.00 S ATOM 0 H CYS A 22 9.415 8.756 -21.027 1.00 0.00 H new ATOM 0 HA CYS A 22 8.368 8.028 -18.507 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.645 10.111 -20.566 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.718 9.915 -19.092 1.00 0.00 H new ATOM 361 N GLN A 23 6.462 6.552 -19.014 1.00 0.00 N ATOM 362 CA GLN A 23 5.237 5.793 -19.153 1.00 0.00 C ATOM 363 C GLN A 23 4.025 6.721 -19.045 1.00 0.00 C ATOM 364 O GLN A 23 3.997 7.633 -18.209 1.00 0.00 O ATOM 365 CB GLN A 23 5.198 4.711 -18.075 1.00 0.00 C ATOM 366 CG GLN A 23 3.843 4.075 -17.899 1.00 0.00 C ATOM 367 CD GLN A 23 3.430 4.054 -16.453 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.700 3.109 -15.717 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.793 5.125 -16.026 1.00 0.00 N ATOM 0 H GLN A 23 7.013 6.307 -18.192 1.00 0.00 H new ATOM 0 HA GLN A 23 5.205 5.318 -20.134 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.923 3.936 -18.325 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.511 5.146 -17.126 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.103 4.624 -18.482 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.864 3.057 -18.288 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.588 5.888 -16.671 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.504 5.191 -15.050 1.00 0.00 H new ATOM 378 N HIS A 24 3.031 6.471 -19.894 1.00 0.00 N ATOM 379 CA HIS A 24 1.845 7.320 -19.996 1.00 0.00 C ATOM 380 C HIS A 24 1.109 7.421 -18.669 1.00 0.00 C ATOM 381 O HIS A 24 1.041 6.463 -17.897 1.00 0.00 O ATOM 382 CB HIS A 24 0.885 6.776 -21.058 1.00 0.00 C ATOM 383 CG HIS A 24 1.454 6.760 -22.441 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.054 5.650 -22.991 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.508 7.722 -23.387 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.458 5.933 -24.213 1.00 0.00 C ATOM 387 NE2 HIS A 24 2.137 7.182 -24.476 1.00 0.00 N ATOM 0 H HIS A 24 3.024 5.674 -20.531 1.00 0.00 H new ATOM 0 HA HIS A 24 2.188 8.315 -20.281 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.593 5.762 -20.784 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.022 7.380 -21.056 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.126 8.729 -23.301 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.966 5.256 -24.884 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.327 7.670 -25.352 1.00 0.00 H new ATOM 396 N TRP A 25 0.566 8.602 -18.412 1.00 0.00 N ATOM 397 CA TRP A 25 -0.215 8.846 -17.210 1.00 0.00 C ATOM 398 C TRP A 25 -1.511 8.049 -17.240 1.00 0.00 C ATOM 399 O TRP A 25 -2.015 7.631 -16.202 1.00 0.00 O ATOM 400 CB TRP A 25 -0.521 10.333 -17.055 1.00 0.00 C ATOM 401 CG TRP A 25 0.701 11.189 -16.967 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.162 12.054 -17.914 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.619 11.262 -15.871 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.306 12.667 -17.469 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.611 12.192 -16.224 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.700 10.629 -14.629 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.665 12.511 -15.375 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.747 10.943 -13.790 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.721 11.872 -14.166 1.00 0.00 C ATOM 0 H TRP A 25 0.654 9.412 -19.026 1.00 0.00 H new ATOM 0 HA TRP A 25 0.377 8.521 -16.354 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.124 10.661 -17.901 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.123 10.480 -16.158 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.696 12.231 -18.872 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.843 13.365 -17.984 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.955 9.906 -14.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.412 13.237 -15.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.816 10.463 -12.825 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.534 12.090 -13.489 1.00 0.00 H new ATOM 420 N SER A 26 -2.044 7.848 -18.435 1.00 0.00 N ATOM 421 CA SER A 26 -3.261 7.077 -18.615 1.00 0.00 C ATOM 422 C SER A 26 -2.967 5.579 -18.536 1.00 0.00 C ATOM 423 O SER A 26 -3.871 4.756 -18.409 1.00 0.00 O ATOM 424 CB SER A 26 -3.884 7.437 -19.964 1.00 0.00 C ATOM 425 OG SER A 26 -2.909 7.410 -20.997 1.00 0.00 O ATOM 0 H SER A 26 -1.647 8.213 -19.301 1.00 0.00 H new ATOM 0 HA SER A 26 -3.964 7.318 -17.818 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.686 6.736 -20.197 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.333 8.429 -19.908 1.00 0.00 H new ATOM 0 HG SER A 26 -3.331 7.642 -21.851 1.00 0.00 H new ATOM 431 N ALA A 27 -1.688 5.238 -18.600 1.00 0.00 N ATOM 432 CA ALA A 27 -1.263 3.856 -18.532 1.00 0.00 C ATOM 433 C ALA A 27 -1.015 3.449 -17.091 1.00 0.00 C ATOM 434 O ALA A 27 -0.285 4.121 -16.366 1.00 0.00 O ATOM 435 CB ALA A 27 -0.004 3.647 -19.355 1.00 0.00 C ATOM 0 H ALA A 27 -0.925 5.908 -18.700 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.057 3.232 -18.942 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.302 2.603 -19.293 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.202 3.906 -20.395 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.793 4.282 -18.968 1.00 0.00 H new ATOM 441 N GLN A 28 -1.637 2.363 -16.673 1.00 0.00 N ATOM 442 CA GLN A 28 -1.390 1.803 -15.353 1.00 0.00 C ATOM 443 C GLN A 28 -0.384 0.665 -15.458 1.00 0.00 C ATOM 444 O GLN A 28 -0.260 -0.175 -14.569 1.00 0.00 O ATOM 445 CB GLN A 28 -2.695 1.326 -14.720 1.00 0.00 C ATOM 446 CG GLN A 28 -3.611 2.465 -14.304 1.00 0.00 C ATOM 447 CD GLN A 28 -3.093 3.164 -13.085 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.446 2.830 -11.954 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.211 4.117 -13.306 1.00 0.00 N ATOM 0 H GLN A 28 -2.320 1.848 -17.229 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.973 2.577 -14.709 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.221 0.685 -15.427 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.466 0.716 -13.847 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.703 3.178 -15.123 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.610 2.077 -14.106 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.950 4.359 -14.262 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.789 4.613 -12.521 1.00 0.00 H new ATOM 458 N THR A 29 0.319 0.650 -16.574 1.00 0.00 N ATOM 459 CA THR A 29 1.380 -0.301 -16.829 1.00 0.00 C ATOM 460 C THR A 29 2.460 0.403 -17.647 1.00 0.00 C ATOM 461 O THR A 29 2.127 1.201 -18.526 1.00 0.00 O ATOM 462 CB THR A 29 0.835 -1.533 -17.589 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.238 -2.123 -16.839 1.00 0.00 O ATOM 464 CG2 THR A 29 1.917 -2.577 -17.828 1.00 0.00 C ATOM 0 H THR A 29 0.166 1.308 -17.339 1.00 0.00 H new ATOM 0 HA THR A 29 1.798 -0.657 -15.887 1.00 0.00 H new ATOM 0 HB THR A 29 0.477 -1.193 -18.561 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.584 -2.903 -17.321 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.492 -3.425 -18.364 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.721 -2.139 -18.420 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.314 -2.915 -16.871 1.00 0.00 H new ATOM 472 N PRO A 30 3.761 0.159 -17.391 1.00 0.00 N ATOM 473 CA PRO A 30 4.264 -0.812 -16.396 1.00 0.00 C ATOM 474 C PRO A 30 3.793 -0.566 -14.957 1.00 0.00 C ATOM 475 O PRO A 30 3.273 -1.473 -14.306 1.00 0.00 O ATOM 476 CB PRO A 30 5.791 -0.657 -16.475 1.00 0.00 C ATOM 477 CG PRO A 30 6.027 0.637 -17.181 1.00 0.00 C ATOM 478 CD PRO A 30 4.863 0.824 -18.100 1.00 0.00 C ATOM 0 HA PRO A 30 3.888 -1.808 -16.628 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.236 -0.648 -15.480 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.242 -1.488 -17.018 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.100 1.461 -16.471 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.964 0.612 -17.738 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.652 1.879 -18.272 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.044 0.372 -19.075 1.00 0.00 H new ATOM 486 N HIS A 31 3.968 0.648 -14.461 1.00 0.00 N ATOM 487 CA HIS A 31 3.719 0.929 -13.050 1.00 0.00 C ATOM 488 C HIS A 31 2.277 1.379 -12.799 1.00 0.00 C ATOM 489 O HIS A 31 1.807 2.348 -13.397 1.00 0.00 O ATOM 490 CB HIS A 31 4.712 1.974 -12.527 1.00 0.00 C ATOM 491 CG HIS A 31 6.119 1.461 -12.422 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.471 0.373 -11.650 1.00 0.00 N ATOM 493 CD2 HIS A 31 7.265 1.883 -13.012 1.00 0.00 C ATOM 494 CE1 HIS A 31 7.770 0.150 -11.771 1.00 0.00 C ATOM 495 NE2 HIS A 31 8.272 1.052 -12.591 1.00 0.00 N ATOM 0 H HIS A 31 4.279 1.452 -15.007 1.00 0.00 H new ATOM 0 HA HIS A 31 3.866 -0.001 -12.502 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.698 2.840 -13.188 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.384 2.316 -11.546 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.366 2.719 -13.688 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.324 -0.637 -11.281 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.251 1.121 -12.868 1.00 0.00 H new ATOM 504 N THR A 32 1.587 0.671 -11.904 1.00 0.00 N ATOM 505 CA THR A 32 0.202 0.987 -11.551 1.00 0.00 C ATOM 506 C THR A 32 0.146 2.157 -10.557 1.00 0.00 C ATOM 507 O THR A 32 0.057 1.986 -9.340 1.00 0.00 O ATOM 508 CB THR A 32 -0.529 -0.260 -10.991 1.00 0.00 C ATOM 509 OG1 THR A 32 -1.835 0.084 -10.512 1.00 0.00 O ATOM 510 CG2 THR A 32 0.272 -0.918 -9.877 1.00 0.00 C ATOM 0 H THR A 32 1.969 -0.133 -11.406 1.00 0.00 H new ATOM 0 HA THR A 32 -0.317 1.293 -12.459 1.00 0.00 H new ATOM 0 HB THR A 32 -0.630 -0.971 -11.811 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.278 -0.718 -10.165 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.268 -1.789 -9.506 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.243 -1.230 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.416 -0.207 -9.064 1.00 0.00 H new ATOM 518 N HIS A 33 0.232 3.351 -11.110 1.00 0.00 N ATOM 519 CA HIS A 33 0.312 4.582 -10.322 1.00 0.00 C ATOM 520 C HIS A 33 -1.060 5.212 -10.129 1.00 0.00 C ATOM 521 O HIS A 33 -1.924 5.076 -10.970 1.00 0.00 O ATOM 522 CB HIS A 33 1.235 5.584 -11.014 1.00 0.00 C ATOM 523 CG HIS A 33 0.828 5.883 -12.423 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.188 7.039 -12.795 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.972 5.158 -13.551 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.053 7.007 -14.089 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.415 5.878 -14.573 1.00 0.00 N ATOM 0 H HIS A 33 0.249 3.503 -12.118 1.00 0.00 H new ATOM 0 HA HIS A 33 0.711 4.323 -9.342 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.248 6.512 -10.442 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.253 5.193 -11.011 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.440 4.188 -13.633 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.551 7.779 -14.657 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.370 5.587 -15.549 1.00 0.00 H new ATOM 536 N ASN A 34 -1.247 5.950 -9.055 1.00 0.00 N ATOM 537 CA ASN A 34 -2.517 6.634 -8.850 1.00 0.00 C ATOM 538 C ASN A 34 -2.452 8.084 -9.311 1.00 0.00 C ATOM 539 O ASN A 34 -3.399 8.842 -9.136 1.00 0.00 O ATOM 540 CB ASN A 34 -2.965 6.556 -7.398 1.00 0.00 C ATOM 541 CG ASN A 34 -3.311 5.138 -6.981 1.00 0.00 C ATOM 542 OD1 ASN A 34 -4.433 4.680 -7.185 1.00 0.00 O ATOM 543 ND2 ASN A 34 -2.357 4.431 -6.397 1.00 0.00 N ATOM 0 H ASN A 34 -0.554 6.094 -8.320 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.258 6.118 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.174 6.940 -6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.834 7.198 -7.252 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.542 3.473 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.437 4.844 -6.244 1.00 0.00 H new ATOM 550 N ARG A 36 -1.328 8.477 -9.897 1.00 0.00 N ATOM 551 CA ARG A 36 -1.237 9.789 -10.530 1.00 0.00 C ATOM 552 C ARG A 36 -1.648 9.680 -11.990 1.00 0.00 C ATOM 553 O ARG A 36 -0.800 9.586 -12.872 1.00 0.00 O ATOM 554 CB ARG A 36 0.177 10.394 -10.433 1.00 0.00 C ATOM 555 CG ARG A 36 0.570 10.891 -9.046 1.00 0.00 C ATOM 556 CD ARG A 36 0.979 9.750 -8.133 1.00 0.00 C ATOM 557 NE ARG A 36 1.174 10.187 -6.749 1.00 0.00 N ATOM 558 CZ ARG A 36 0.952 9.419 -5.682 1.00 0.00 C ATOM 559 NH1 ARG A 36 0.548 8.165 -5.830 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 1.146 9.906 -4.469 1.00 0.00 N ATOM 0 H ARG A 36 -0.477 7.916 -9.948 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.912 10.456 -9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.900 9.643 -10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.250 11.225 -11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.394 11.599 -9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.267 11.429 -8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.215 8.973 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.902 9.304 -8.504 1.00 0.00 H new ATOM 0 HE ARG A 36 1.501 11.140 -6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.405 7.782 -6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.380 7.583 -5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.465 10.868 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.977 9.320 -3.651 1.00 0.00 H new ATOM 574 N THR A 37 -2.947 9.670 -12.227 1.00 0.00 N ATOM 575 CA THR A 37 -3.496 9.506 -13.563 1.00 0.00 C ATOM 576 C THR A 37 -4.351 10.719 -13.901 1.00 0.00 C ATOM 577 O THR A 37 -4.785 11.433 -12.999 1.00 0.00 O ATOM 578 CB THR A 37 -4.349 8.221 -13.654 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.367 8.247 -12.646 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.479 6.982 -13.474 1.00 0.00 C ATOM 0 H THR A 37 -3.653 9.775 -11.498 1.00 0.00 H new ATOM 0 HA THR A 37 -2.675 9.419 -14.275 1.00 0.00 H new ATOM 0 HB THR A 37 -4.811 8.179 -14.640 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.908 7.432 -12.706 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.100 6.089 -13.542 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.718 6.955 -14.254 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.996 7.015 -12.497 1.00 0.00 H new ATOM 588 N PRO A 38 -4.583 10.993 -15.198 1.00 0.00 N ATOM 589 CA PRO A 38 -5.387 12.142 -15.629 1.00 0.00 C ATOM 590 C PRO A 38 -6.817 12.087 -15.099 1.00 0.00 C ATOM 591 O PRO A 38 -7.529 13.086 -15.115 1.00 0.00 O ATOM 592 CB PRO A 38 -5.374 12.071 -17.158 1.00 0.00 C ATOM 593 CG PRO A 38 -4.834 10.726 -17.512 1.00 0.00 C ATOM 594 CD PRO A 38 -4.052 10.230 -16.333 1.00 0.00 C ATOM 0 HA PRO A 38 -4.977 13.075 -15.243 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.378 12.205 -17.562 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.753 12.862 -17.578 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.645 10.038 -17.751 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.198 10.788 -18.395 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.186 9.158 -16.189 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.984 10.403 -16.463 1.00 0.00 H new ATOM 602 N GLU A 39 -7.223 10.915 -14.625 1.00 0.00 N ATOM 603 CA GLU A 39 -8.527 10.748 -14.000 1.00 0.00 C ATOM 604 C GLU A 39 -8.480 11.189 -12.538 1.00 0.00 C ATOM 605 O GLU A 39 -9.507 11.514 -11.941 1.00 0.00 O ATOM 606 CB GLU A 39 -8.972 9.289 -14.095 1.00 0.00 C ATOM 607 CG GLU A 39 -9.179 8.813 -15.521 1.00 0.00 C ATOM 608 CD GLU A 39 -9.581 7.357 -15.594 1.00 0.00 C ATOM 609 OE1 GLU A 39 -10.560 6.970 -14.923 1.00 0.00 O ATOM 610 OE2 GLU A 39 -8.923 6.592 -16.334 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.664 10.063 -14.663 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.247 11.373 -14.528 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.225 8.657 -13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.901 9.164 -13.540 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.948 9.423 -15.996 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.259 8.961 -16.087 1.00 0.00 H new ATOM 617 N ASN A 40 -7.280 11.201 -11.969 1.00 0.00 N ATOM 618 CA ASN A 40 -7.090 11.594 -10.577 1.00 0.00 C ATOM 619 C ASN A 40 -6.594 13.021 -10.468 1.00 0.00 C ATOM 620 O ASN A 40 -6.899 13.724 -9.507 1.00 0.00 O ATOM 621 CB ASN A 40 -6.111 10.650 -9.870 1.00 0.00 C ATOM 622 CG ASN A 40 -6.807 9.453 -9.249 1.00 0.00 C ATOM 623 OD1 ASN A 40 -8.021 9.465 -9.051 1.00 0.00 O ATOM 624 ND2 ASN A 40 -6.045 8.430 -8.892 1.00 0.00 N ATOM 0 H ASN A 40 -6.420 10.942 -12.453 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.062 11.528 -10.088 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.365 10.302 -10.585 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.577 11.199 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.462 7.618 -8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.041 8.454 -9.072 1.00 0.00 H new ATOM 631 N PHE A 41 -5.838 13.447 -11.460 1.00 0.00 N ATOM 632 CA PHE A 41 -5.258 14.780 -11.465 1.00 0.00 C ATOM 633 C PHE A 41 -5.478 15.450 -12.817 1.00 0.00 C ATOM 634 O PHE A 41 -4.519 15.738 -13.536 1.00 0.00 O ATOM 635 CB PHE A 41 -3.758 14.707 -11.163 1.00 0.00 C ATOM 636 CG PHE A 41 -3.425 14.139 -9.812 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.306 12.771 -9.627 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.222 14.977 -8.729 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.994 12.251 -8.385 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.910 14.462 -7.487 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.797 13.099 -7.314 1.00 0.00 C ATOM 0 H PHE A 41 -5.608 12.886 -12.280 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.749 15.372 -10.692 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.275 14.100 -11.928 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.335 15.709 -11.237 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.459 12.104 -10.462 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.309 16.046 -8.857 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.905 11.183 -8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.754 15.127 -6.650 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.555 12.695 -6.342 1.00 0.00 H new ATOM 651 N PRO A 42 -6.743 15.710 -13.186 1.00 0.00 N ATOM 652 CA PRO A 42 -7.076 16.296 -14.484 1.00 0.00 C ATOM 653 C PRO A 42 -6.523 17.708 -14.643 1.00 0.00 C ATOM 654 O PRO A 42 -6.074 18.095 -15.722 1.00 0.00 O ATOM 655 CB PRO A 42 -8.611 16.324 -14.500 1.00 0.00 C ATOM 656 CG PRO A 42 -9.036 15.405 -13.409 1.00 0.00 C ATOM 657 CD PRO A 42 -7.948 15.456 -12.379 1.00 0.00 C ATOM 0 HA PRO A 42 -6.643 15.721 -15.302 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.987 17.333 -14.332 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.000 15.995 -15.464 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.990 15.718 -12.985 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.171 14.390 -13.784 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.120 16.247 -11.649 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.873 14.521 -11.824 1.00 0.00 H new ATOM 665 N SER A 43 -6.519 18.459 -13.549 1.00 0.00 N ATOM 666 CA SER A 43 -6.089 19.848 -13.574 1.00 0.00 C ATOM 667 C SER A 43 -4.568 19.952 -13.578 1.00 0.00 C ATOM 668 O SER A 43 -4.011 21.026 -13.787 1.00 0.00 O ATOM 669 CB SER A 43 -6.665 20.590 -12.370 1.00 0.00 C ATOM 670 OG SER A 43 -6.352 19.914 -11.160 1.00 0.00 O ATOM 0 H SER A 43 -6.810 18.126 -12.630 1.00 0.00 H new ATOM 0 HA SER A 43 -6.460 20.306 -14.491 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.267 21.604 -12.338 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.747 20.676 -12.474 1.00 0.00 H new ATOM 0 HG SER A 43 -6.729 20.408 -10.402 1.00 0.00 H new ATOM 676 N LYS A 44 -3.902 18.827 -13.352 1.00 0.00 N ATOM 677 CA LYS A 44 -2.447 18.796 -13.373 1.00 0.00 C ATOM 678 C LYS A 44 -1.944 18.477 -14.775 1.00 0.00 C ATOM 679 O LYS A 44 -0.741 18.377 -15.018 1.00 0.00 O ATOM 680 CB LYS A 44 -1.914 17.784 -12.357 1.00 0.00 C ATOM 681 CG LYS A 44 -2.227 18.153 -10.915 1.00 0.00 C ATOM 682 CD LYS A 44 -1.582 19.474 -10.524 1.00 0.00 C ATOM 683 CE LYS A 44 -1.962 19.879 -9.109 1.00 0.00 C ATOM 684 NZ LYS A 44 -1.319 21.157 -8.698 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.344 17.929 -13.153 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.075 19.781 -13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.339 16.804 -12.574 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.834 17.696 -12.475 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.307 18.221 -10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.873 17.364 -10.252 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.498 19.388 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.891 20.252 -11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.045 19.981 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.672 19.089 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.790 21.525 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.314 20.989 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.403 21.851 -9.468 1.00 0.00 H new ATOM 698 N ASN A 45 -2.909 18.305 -15.681 1.00 0.00 N ATOM 699 CA ASN A 45 -2.650 18.167 -17.112 1.00 0.00 C ATOM 700 C ASN A 45 -1.817 16.932 -17.423 1.00 0.00 C ATOM 701 O ASN A 45 -0.778 17.020 -18.060 1.00 0.00 O ATOM 702 CB ASN A 45 -1.964 19.422 -17.672 1.00 0.00 C ATOM 703 CG ASN A 45 -2.916 20.594 -17.850 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.735 21.427 -18.740 1.00 0.00 O ATOM 705 ND2 ASN A 45 -3.929 20.673 -17.006 1.00 0.00 N ATOM 0 H ASN A 45 -3.899 18.258 -15.438 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.618 18.048 -17.599 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.156 19.717 -17.002 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.509 19.182 -18.633 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.594 21.443 -17.078 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.046 19.964 -16.282 1.00 0.00 H new ATOM 712 N LEU A 46 -2.291 15.772 -17.008 1.00 0.00 N ATOM 713 CA LEU A 46 -1.578 14.524 -17.263 1.00 0.00 C ATOM 714 C LEU A 46 -1.785 14.072 -18.708 1.00 0.00 C ATOM 715 O LEU A 46 -2.454 13.076 -18.983 1.00 0.00 O ATOM 716 CB LEU A 46 -2.030 13.448 -16.263 1.00 0.00 C ATOM 717 CG LEU A 46 -1.129 13.267 -15.025 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.277 14.498 -14.765 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.959 12.938 -13.788 1.00 0.00 C ATOM 0 H LEU A 46 -3.165 15.663 -16.493 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.510 14.688 -17.123 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.037 13.692 -15.924 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.093 12.494 -16.787 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.462 12.431 -15.235 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.344 14.331 -13.885 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.361 14.688 -15.628 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.924 15.359 -14.595 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.299 12.815 -12.929 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.660 13.750 -13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.512 12.014 -13.956 1.00 0.00 H new ATOM 731 N ASP A 47 -1.192 14.842 -19.618 1.00 0.00 N ATOM 732 CA ASP A 47 -1.278 14.599 -21.050 1.00 0.00 C ATOM 733 C ASP A 47 -0.244 13.571 -21.482 1.00 0.00 C ATOM 734 O ASP A 47 0.945 13.727 -21.188 1.00 0.00 O ATOM 735 CB ASP A 47 -1.019 15.896 -21.818 1.00 0.00 C ATOM 736 CG ASP A 47 -2.037 16.986 -21.548 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.156 16.918 -22.105 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.707 17.930 -20.797 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.633 15.660 -19.376 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.279 14.226 -21.268 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.027 16.267 -21.560 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.010 15.678 -22.886 1.00 0.00 H new ATOM 743 N GLU A 48 -0.704 12.543 -22.192 1.00 0.00 N ATOM 744 CA GLU A 48 0.160 11.481 -22.710 1.00 0.00 C ATOM 745 C GLU A 48 1.065 10.906 -21.632 1.00 0.00 C ATOM 746 O GLU A 48 0.652 10.093 -20.802 1.00 0.00 O ATOM 747 CB GLU A 48 1.036 11.980 -23.870 1.00 0.00 C ATOM 748 CG GLU A 48 0.350 12.008 -25.229 1.00 0.00 C ATOM 749 CD GLU A 48 -0.853 12.922 -25.278 1.00 0.00 C ATOM 750 OE1 GLU A 48 -0.678 14.122 -25.564 1.00 0.00 O ATOM 751 OE2 GLU A 48 -1.982 12.439 -25.052 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.689 12.421 -22.426 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.509 10.699 -23.069 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.385 12.986 -23.635 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.919 11.344 -23.938 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.069 12.326 -25.984 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.039 10.997 -25.491 1.00 0.00 H new ATOM 758 N ASN A 49 2.308 11.352 -21.664 1.00 0.00 N ATOM 759 CA ASN A 49 3.325 10.907 -20.737 1.00 0.00 C ATOM 760 C ASN A 49 4.342 12.015 -20.523 1.00 0.00 C ATOM 761 O ASN A 49 5.473 11.769 -20.114 1.00 0.00 O ATOM 762 CB ASN A 49 4.000 9.647 -21.270 1.00 0.00 C ATOM 763 CG ASN A 49 4.611 9.833 -22.647 1.00 0.00 C ATOM 764 OD1 ASN A 49 3.932 9.687 -23.664 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.899 10.127 -22.693 1.00 0.00 N ATOM 0 H ASN A 49 2.640 12.039 -22.341 1.00 0.00 H new ATOM 0 HA ASN A 49 2.864 10.669 -19.779 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.779 9.337 -20.573 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.268 8.840 -21.310 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.364 10.241 -23.594 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.428 10.240 -21.828 1.00 0.00 H new ATOM 772 N TYR A 50 3.922 13.238 -20.831 1.00 0.00 N ATOM 773 CA TYR A 50 4.757 14.420 -20.619 1.00 0.00 C ATOM 774 C TYR A 50 5.196 14.501 -19.166 1.00 0.00 C ATOM 775 O TYR A 50 4.453 14.102 -18.268 1.00 0.00 O ATOM 776 CB TYR A 50 3.994 15.703 -20.963 1.00 0.00 C ATOM 777 CG TYR A 50 3.348 15.721 -22.328 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.711 14.816 -23.318 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.368 16.657 -22.625 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.111 14.843 -24.563 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.763 16.692 -23.863 1.00 0.00 C ATOM 782 CZ TYR A 50 2.135 15.785 -24.829 1.00 0.00 C ATOM 783 OH TYR A 50 1.532 15.822 -26.067 1.00 0.00 O ATOM 0 H TYR A 50 3.005 13.439 -21.230 1.00 0.00 H new ATOM 0 HA TYR A 50 5.625 14.328 -21.272 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.221 15.860 -20.211 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.682 16.546 -20.893 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.474 14.080 -23.111 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.073 17.372 -21.871 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.403 14.133 -25.323 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.001 17.428 -24.074 1.00 0.00 H new ATOM 0 HH TYR A 50 0.727 15.264 -26.055 1.00 0.00 H new ATOM 793 N CYS A 51 6.393 15.017 -18.938 1.00 0.00 N ATOM 794 CA CYS A 51 6.896 15.215 -17.584 1.00 0.00 C ATOM 795 C CYS A 51 6.074 16.256 -16.835 1.00 0.00 C ATOM 796 O CYS A 51 6.412 17.439 -16.820 1.00 0.00 O ATOM 797 CB CYS A 51 8.351 15.652 -17.621 1.00 0.00 C ATOM 798 SG CYS A 51 9.506 14.382 -18.212 1.00 0.00 S ATOM 0 H CYS A 51 7.037 15.308 -19.673 1.00 0.00 H new ATOM 0 HA CYS A 51 6.813 14.264 -17.058 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.437 16.529 -18.262 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.650 15.959 -16.619 1.00 0.00 H new ATOM 803 N ARG A 52 4.990 15.811 -16.226 1.00 0.00 N ATOM 804 CA ARG A 52 4.142 16.681 -15.434 1.00 0.00 C ATOM 805 C ARG A 52 4.527 16.599 -13.965 1.00 0.00 C ATOM 806 O ARG A 52 5.483 15.915 -13.598 1.00 0.00 O ATOM 807 CB ARG A 52 2.679 16.287 -15.608 1.00 0.00 C ATOM 808 CG ARG A 52 2.137 16.515 -17.012 1.00 0.00 C ATOM 809 CD ARG A 52 2.256 17.971 -17.450 1.00 0.00 C ATOM 810 NE ARG A 52 1.393 18.259 -18.596 1.00 0.00 N ATOM 811 CZ ARG A 52 1.441 19.368 -19.329 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.350 20.299 -19.075 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.562 19.551 -20.309 1.00 0.00 N ATOM 0 H ARG A 52 4.674 14.842 -16.266 1.00 0.00 H new ATOM 0 HA ARG A 52 4.278 17.706 -15.778 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.565 15.234 -15.353 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.074 16.854 -14.900 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.678 15.881 -17.715 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.091 16.211 -17.049 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.990 18.625 -16.619 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.292 18.191 -17.709 1.00 0.00 H new ATOM 0 HE ARG A 52 0.701 17.555 -18.853 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.017 20.167 -18.315 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.383 21.148 -19.640 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.147 18.842 -20.497 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.596 20.400 -20.873 1.00 0.00 H new ATOM 827 N ASN A 53 3.790 17.301 -13.129 1.00 0.00 N ATOM 828 CA ASN A 53 3.992 17.217 -11.692 1.00 0.00 C ATOM 829 C ASN A 53 2.639 17.162 -10.980 1.00 0.00 C ATOM 830 O ASN A 53 2.225 18.119 -10.328 1.00 0.00 O ATOM 831 CB ASN A 53 4.814 18.410 -11.199 1.00 0.00 C ATOM 832 CG ASN A 53 5.275 18.263 -9.762 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.796 17.404 -9.020 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.195 19.119 -9.355 1.00 0.00 N ATOM 0 H ASN A 53 3.046 17.936 -13.417 1.00 0.00 H new ATOM 0 HA ASN A 53 4.545 16.306 -11.463 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.685 18.534 -11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.217 19.318 -11.292 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.535 19.084 -8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.566 19.815 -10.002 1.00 0.00 H new ATOM 841 N PRO A 54 1.921 16.034 -11.121 1.00 0.00 N ATOM 842 CA PRO A 54 0.597 15.856 -10.515 1.00 0.00 C ATOM 843 C PRO A 54 0.651 15.679 -8.999 1.00 0.00 C ATOM 844 O PRO A 54 -0.117 16.299 -8.264 1.00 0.00 O ATOM 845 CB PRO A 54 0.074 14.581 -11.177 1.00 0.00 C ATOM 846 CG PRO A 54 1.293 13.827 -11.586 1.00 0.00 C ATOM 847 CD PRO A 54 2.336 14.856 -11.908 1.00 0.00 C ATOM 0 HA PRO A 54 -0.033 16.732 -10.670 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.536 13.999 -10.485 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.553 14.813 -12.038 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.630 13.169 -10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.088 13.197 -12.451 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.333 14.517 -11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.364 15.077 -12.975 1.00 0.00 H new ATOM 855 N ASP A 55 1.556 14.820 -8.548 1.00 0.00 N ATOM 856 CA ASP A 55 1.693 14.511 -7.129 1.00 0.00 C ATOM 857 C ASP A 55 2.145 15.725 -6.320 1.00 0.00 C ATOM 858 O ASP A 55 1.608 16.007 -5.249 1.00 0.00 O ATOM 859 CB ASP A 55 2.682 13.362 -6.940 1.00 0.00 C ATOM 860 CG ASP A 55 2.845 12.969 -5.490 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.878 12.439 -4.908 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 3.946 13.159 -4.942 1.00 0.00 O1- ATOM 0 H ASP A 55 2.211 14.321 -9.149 1.00 0.00 H new ATOM 0 HA ASP A 55 0.711 14.217 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.343 12.498 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.651 13.651 -7.345 1.00 0.00 H new ATOM 867 N GLY A 56 3.128 16.442 -6.844 1.00 0.00 N ATOM 868 CA GLY A 56 3.632 17.622 -6.166 1.00 0.00 C ATOM 869 C GLY A 56 5.050 17.445 -5.681 1.00 0.00 C ATOM 870 O GLY A 56 5.319 17.486 -4.484 1.00 0.00 O ATOM 0 H GLY A 56 3.588 16.228 -7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.586 18.474 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.987 17.854 -5.318 1.00 0.00 H new ATOM 874 N LYS A 57 5.954 17.236 -6.621 1.00 0.00 N ATOM 875 CA LYS A 57 7.369 17.132 -6.321 1.00 0.00 C ATOM 876 C LYS A 57 8.048 18.471 -6.546 1.00 0.00 C ATOM 877 O LYS A 57 7.391 19.456 -6.871 1.00 0.00 O ATOM 878 CB LYS A 57 8.020 16.049 -7.185 1.00 0.00 C ATOM 879 CG LYS A 57 7.598 14.645 -6.791 1.00 0.00 C ATOM 880 CD LYS A 57 8.257 14.234 -5.484 1.00 0.00 C ATOM 881 CE LYS A 57 7.501 13.123 -4.769 1.00 0.00 C ATOM 882 NZ LYS A 57 6.325 13.644 -4.020 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.728 17.134 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 57 7.486 16.852 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.761 16.221 -8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.104 16.132 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.514 14.601 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.871 13.943 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.276 13.904 -5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.326 15.102 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.169 12.383 -5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.173 12.612 -4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.462 13.482 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.224 14.664 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.466 13.151 -4.336 1.00 0.00 H new ATOM 896 N ARG A 59 9.356 18.501 -6.379 1.00 0.00 N ATOM 897 CA ARG A 59 10.120 19.729 -6.545 1.00 0.00 C ATOM 898 C ARG A 59 10.359 20.029 -8.020 1.00 0.00 C ATOM 899 O ARG A 59 10.728 21.142 -8.387 1.00 0.00 O ATOM 900 CB ARG A 59 11.455 19.597 -5.814 1.00 0.00 C ATOM 901 CG ARG A 59 12.325 18.476 -6.358 1.00 0.00 C ATOM 902 CD ARG A 59 13.459 18.138 -5.405 1.00 0.00 C ATOM 903 NE ARG A 59 12.966 17.680 -4.105 1.00 0.00 N ATOM 904 CZ ARG A 59 13.721 17.065 -3.194 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.009 16.843 -3.428 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 13.184 16.678 -2.043 1.00 0.00 N ATOM 0 H ARG A 59 9.917 17.687 -6.127 1.00 0.00 H new ATOM 0 HA ARG A 59 9.550 20.556 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.998 20.539 -5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.267 19.421 -4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.714 17.589 -6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.736 18.769 -7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.086 17.364 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.089 19.017 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 59 11.984 17.841 -3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.426 17.143 -4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.581 16.372 -2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.196 16.851 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.759 16.207 -1.345 1.00 0.00 H new ATOM 920 N ALA A 60 10.133 19.030 -8.857 1.00 0.00 N ATOM 921 CA ALA A 60 10.388 19.149 -10.282 1.00 0.00 C ATOM 922 C ALA A 60 9.502 18.181 -11.054 1.00 0.00 C ATOM 923 O ALA A 60 8.952 17.249 -10.462 1.00 0.00 O ATOM 924 CB ALA A 60 11.859 18.876 -10.572 1.00 0.00 C ATOM 0 H ALA A 60 9.770 18.121 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 60 10.153 20.164 -10.603 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.042 18.967 -11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.476 19.597 -10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.113 17.868 -10.245 1.00 0.00 H new ATOM 930 N PRO A 61 9.340 18.398 -12.374 1.00 0.00 N ATOM 931 CA PRO A 61 8.590 17.487 -13.241 1.00 0.00 C ATOM 932 C PRO A 61 9.104 16.064 -13.129 1.00 0.00 C ATOM 933 O PRO A 61 10.316 15.827 -13.160 1.00 0.00 O ATOM 934 CB PRO A 61 8.852 18.032 -14.646 1.00 0.00 C ATOM 935 CG PRO A 61 9.136 19.469 -14.434 1.00 0.00 C ATOM 936 CD PRO A 61 9.862 19.554 -13.123 1.00 0.00 C ATOM 0 HA PRO A 61 7.533 17.445 -12.980 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.694 17.526 -15.118 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.989 17.889 -15.296 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.744 19.871 -15.244 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.214 20.050 -14.409 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.942 19.493 -13.256 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.657 20.493 -12.609 1.00 0.00 H new ATOM 944 N TRP A 62 8.188 15.128 -13.002 1.00 0.00 N ATOM 945 CA TRP A 62 8.548 13.743 -12.808 1.00 0.00 C ATOM 946 C TRP A 62 7.576 12.843 -13.549 1.00 0.00 C ATOM 947 O TRP A 62 6.448 13.241 -13.835 1.00 0.00 O ATOM 948 CB TRP A 62 8.563 13.403 -11.314 1.00 0.00 C ATOM 949 CG TRP A 62 7.207 13.417 -10.666 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.552 14.489 -10.131 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.350 12.291 -10.478 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.337 14.092 -9.621 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.191 12.745 -9.823 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.455 10.942 -10.803 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.144 11.887 -9.489 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.420 10.096 -10.471 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.277 10.573 -9.818 1.00 0.00 C ATOM 0 H TRP A 62 7.184 15.304 -13.030 1.00 0.00 H new ATOM 0 HA TRP A 62 9.548 13.579 -13.209 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.006 12.416 -11.182 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.208 14.114 -10.797 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.932 15.500 -10.111 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.656 14.701 -9.167 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.333 10.565 -11.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.260 12.252 -8.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.491 9.047 -10.719 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.484 9.883 -9.570 1.00 0.00 H new ATOM 968 N CYS A 63 8.006 11.637 -13.862 1.00 0.00 N ATOM 969 CA CYS A 63 7.142 10.699 -14.546 1.00 0.00 C ATOM 970 C CYS A 63 7.484 9.277 -14.125 1.00 0.00 C ATOM 971 O CYS A 63 8.408 9.059 -13.344 1.00 0.00 O ATOM 972 CB CYS A 63 7.287 10.858 -16.063 1.00 0.00 C ATOM 973 SG CYS A 63 8.809 10.127 -16.742 1.00 0.00 S ATOM 0 H CYS A 63 8.941 11.286 -13.655 1.00 0.00 H new ATOM 0 HA CYS A 63 6.107 10.905 -14.274 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.427 10.398 -16.550 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.264 11.919 -16.311 1.00 0.00 H new ATOM 978 N HIS A 64 6.730 8.314 -14.629 1.00 0.00 N ATOM 979 CA HIS A 64 6.973 6.915 -14.310 1.00 0.00 C ATOM 980 C HIS A 64 7.752 6.283 -15.441 1.00 0.00 C ATOM 981 O HIS A 64 7.381 6.424 -16.596 1.00 0.00 O ATOM 982 CB HIS A 64 5.648 6.172 -14.086 1.00 0.00 C ATOM 983 CG HIS A 64 4.858 6.737 -12.951 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.914 7.727 -13.114 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.892 6.464 -11.626 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.402 8.040 -11.940 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.976 7.287 -11.020 1.00 0.00 N ATOM 0 H HIS A 64 5.945 8.474 -15.260 1.00 0.00 H new ATOM 0 HA HIS A 64 7.551 6.848 -13.388 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.052 6.217 -14.997 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.854 5.119 -13.892 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.522 5.735 -11.137 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.642 8.786 -11.761 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.772 7.313 -10.021 1.00 0.00 H new ATOM 996 N THR A 65 8.839 5.614 -15.117 1.00 0.00 N ATOM 997 CA THR A 65 9.675 5.013 -16.137 1.00 0.00 C ATOM 998 C THR A 65 9.022 3.748 -16.665 1.00 0.00 C ATOM 999 O THR A 65 8.376 3.015 -15.913 1.00 0.00 O ATOM 1000 CB THR A 65 11.073 4.677 -15.577 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.977 3.601 -14.642 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.685 5.887 -14.887 1.00 0.00 C ATOM 0 H THR A 65 9.164 5.473 -14.160 1.00 0.00 H new ATOM 0 HA THR A 65 9.789 5.731 -16.949 1.00 0.00 H new ATOM 0 HB THR A 65 11.712 4.386 -16.411 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.495 3.903 -13.844 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.670 5.626 -14.500 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.781 6.704 -15.602 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.043 6.199 -14.063 1.00 0.00 H new ATOM 1010 N THR A 66 9.167 3.505 -17.961 1.00 0.00 N ATOM 1011 CA THR A 66 8.725 2.257 -18.561 1.00 0.00 C ATOM 1012 C THR A 66 9.685 1.117 -18.223 1.00 0.00 C ATOM 1013 O THR A 66 9.728 0.096 -18.908 1.00 0.00 O ATOM 1014 CB THR A 66 8.607 2.392 -20.088 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.807 2.973 -20.618 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.411 3.251 -20.458 1.00 0.00 C ATOM 0 H THR A 66 9.590 4.161 -18.618 1.00 0.00 H new ATOM 0 HA THR A 66 7.743 2.027 -18.149 1.00 0.00 H new ATOM 0 HB THR A 66 8.466 1.399 -20.515 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.133 2.428 -21.364 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.345 3.335 -21.543 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.500 2.792 -20.073 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.528 4.244 -20.024 1.00 0.00 H new ATOM 1024 N ASN A 67 10.448 1.302 -17.155 1.00 0.00 N ATOM 1025 CA ASN A 67 11.439 0.323 -16.741 1.00 0.00 C ATOM 1026 C ASN A 67 10.941 -0.398 -15.497 1.00 0.00 C ATOM 1027 O ASN A 67 10.308 0.207 -14.630 1.00 0.00 O ATOM 1028 CB ASN A 67 12.795 0.985 -16.418 1.00 0.00 C ATOM 1029 CG ASN A 67 13.416 1.785 -17.562 1.00 0.00 C ATOM 1030 OD1 ASN A 67 14.633 1.792 -17.721 1.00 0.00 O ATOM 1031 ND2 ASN A 67 12.606 2.496 -18.334 1.00 0.00 N ATOM 0 H ASN A 67 10.398 2.127 -16.557 1.00 0.00 H new ATOM 0 HA ASN A 67 11.584 -0.375 -17.565 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.663 1.647 -15.562 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.498 0.209 -16.115 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.990 3.069 -19.085 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.598 2.470 -18.177 1.00 0.00 H new ATOM 1038 N SER A 68 11.216 -1.688 -15.411 1.00 0.00 N ATOM 1039 CA SER A 68 10.890 -2.452 -14.215 1.00 0.00 C ATOM 1040 C SER A 68 12.020 -2.325 -13.198 1.00 0.00 C ATOM 1041 O SER A 68 11.922 -2.808 -12.070 1.00 0.00 O ATOM 1042 CB SER A 68 10.664 -3.921 -14.574 1.00 0.00 C ATOM 1043 OG SER A 68 9.783 -4.042 -15.678 1.00 0.00 O ATOM 0 H SER A 68 11.663 -2.229 -16.151 1.00 0.00 H new ATOM 0 HA SER A 68 9.973 -2.056 -13.778 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.618 -4.392 -14.811 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.252 -4.450 -13.715 1.00 0.00 H new ATOM 0 HG SER A 68 9.654 -4.990 -15.891 1.00 0.00 H new ATOM 1049 N GLN A 69 13.088 -1.654 -13.614 1.00 0.00 N ATOM 1050 CA GLN A 69 14.273 -1.480 -12.785 1.00 0.00 C ATOM 1051 C GLN A 69 14.054 -0.358 -11.776 1.00 0.00 C ATOM 1052 O GLN A 69 14.495 -0.435 -10.630 1.00 0.00 O ATOM 1053 CB GLN A 69 15.470 -1.133 -13.669 1.00 0.00 C ATOM 1054 CG GLN A 69 15.536 -1.931 -14.963 1.00 0.00 C ATOM 1055 CD GLN A 69 16.763 -1.597 -15.801 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.283 -2.447 -16.527 1.00 0.00 O ATOM 1057 NE2 GLN A 69 17.243 -0.367 -15.703 1.00 0.00 N ATOM 0 H GLN A 69 13.156 -1.217 -14.533 1.00 0.00 H new ATOM 0 HA GLN A 69 14.465 -2.410 -12.249 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.434 -0.071 -13.911 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.387 -1.301 -13.104 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.541 -2.995 -14.728 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.638 -1.738 -15.550 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.787 0.311 -15.092 1.00 0.00 H new ATOM 0 HE22 GLN A 69 18.068 -0.098 -16.238 1.00 0.00 H new ATOM 1066 N VAL A 70 13.367 0.680 -12.225 1.00 0.00 N ATOM 1067 CA VAL A 70 13.124 1.869 -11.426 1.00 0.00 C ATOM 1068 C VAL A 70 11.648 2.255 -11.525 1.00 0.00 C ATOM 1069 O VAL A 70 10.970 1.858 -12.471 1.00 0.00 O ATOM 1070 CB VAL A 70 14.034 3.025 -11.915 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.839 3.278 -13.397 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.810 4.302 -11.122 1.00 0.00 C ATOM 0 H VAL A 70 12.960 0.721 -13.159 1.00 0.00 H new ATOM 0 HA VAL A 70 13.361 1.667 -10.381 1.00 0.00 H new ATOM 0 HB VAL A 70 15.065 2.713 -11.747 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.488 4.093 -13.715 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.088 2.376 -13.956 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.800 3.547 -13.587 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.468 5.085 -11.499 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.772 4.619 -11.228 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.028 4.120 -10.070 1.00 0.00 H new ATOM 1082 N ARG A 71 11.136 2.991 -10.549 1.00 0.00 N ATOM 1083 CA ARG A 71 9.747 3.408 -10.579 1.00 0.00 C ATOM 1084 C ARG A 71 9.609 4.751 -11.296 1.00 0.00 C ATOM 1085 O ARG A 71 9.562 4.801 -12.525 1.00 0.00 O ATOM 1086 CB ARG A 71 9.167 3.480 -9.163 1.00 0.00 C ATOM 1087 CG ARG A 71 7.689 3.838 -9.121 1.00 0.00 C ATOM 1088 CD ARG A 71 7.125 3.743 -7.707 1.00 0.00 C ATOM 1089 NE ARG A 71 7.830 4.608 -6.755 1.00 0.00 N ATOM 1090 CZ ARG A 71 7.305 5.036 -5.605 1.00 0.00 C ATOM 1091 NH1 ARG A 71 6.052 4.737 -5.283 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 8.041 5.763 -4.773 1.00 0.00 N ATOM 0 H ARG A 71 11.659 3.308 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 71 9.177 2.663 -11.134 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.312 2.518 -8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.726 4.218 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.549 4.850 -9.501 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.134 3.170 -9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.069 4.013 -7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.185 2.710 -7.365 1.00 0.00 H new ATOM 0 HE ARG A 71 8.780 4.900 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.483 4.176 -5.917 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.659 5.068 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.005 5.993 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.642 6.091 -3.893 1.00 0.00 H new ATOM 1106 N TRP A 72 9.525 5.829 -10.533 1.00 0.00 N ATOM 1107 CA TRP A 72 9.415 7.156 -11.111 1.00 0.00 C ATOM 1108 C TRP A 72 10.787 7.816 -11.215 1.00 0.00 C ATOM 1109 O TRP A 72 11.732 7.406 -10.542 1.00 0.00 O ATOM 1110 CB TRP A 72 8.445 8.018 -10.298 1.00 0.00 C ATOM 1111 CG TRP A 72 8.923 8.355 -8.926 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.938 7.539 -7.836 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.435 9.615 -8.494 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.438 8.211 -6.753 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.748 9.492 -7.129 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.661 10.836 -9.132 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.275 10.547 -6.390 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.183 11.881 -8.399 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.484 11.732 -7.040 1.00 0.00 C ATOM 0 H TRP A 72 9.531 5.810 -9.513 1.00 0.00 H new ATOM 0 HA TRP A 72 9.015 7.061 -12.120 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.257 8.944 -10.842 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.492 7.495 -10.219 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.604 6.512 -7.827 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.560 7.822 -5.818 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.431 10.960 -10.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.510 10.434 -5.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.363 12.830 -8.882 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.890 12.570 -6.493 1.00 0.00 H new ATOM 1130 N GLU A 73 10.884 8.842 -12.046 1.00 0.00 N ATOM 1131 CA GLU A 73 12.125 9.579 -12.233 1.00 0.00 C ATOM 1132 C GLU A 73 11.830 11.035 -12.533 1.00 0.00 C ATOM 1133 O GLU A 73 10.789 11.359 -13.107 1.00 0.00 O ATOM 1134 CB GLU A 73 12.945 8.977 -13.377 1.00 0.00 C ATOM 1135 CG GLU A 73 13.913 7.888 -12.943 1.00 0.00 C ATOM 1136 CD GLU A 73 15.021 8.417 -12.056 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.796 9.281 -12.519 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.140 7.959 -10.899 1.00 0.00 O1- ATOM 0 H GLU A 73 10.107 9.187 -12.609 1.00 0.00 H new ATOM 0 HA GLU A 73 12.703 9.510 -11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.263 8.566 -14.121 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.507 9.774 -13.865 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.365 7.111 -12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.350 7.422 -13.826 1.00 0.00 H new ATOM 1145 N TYR A 74 12.741 11.905 -12.127 1.00 0.00 N ATOM 1146 CA TYR A 74 12.627 13.325 -12.416 1.00 0.00 C ATOM 1147 C TYR A 74 12.973 13.610 -13.868 1.00 0.00 C ATOM 1148 O TYR A 74 13.542 12.766 -14.562 1.00 0.00 O ATOM 1149 CB TYR A 74 13.559 14.144 -11.523 1.00 0.00 C ATOM 1150 CG TYR A 74 13.061 14.346 -10.111 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.836 14.954 -9.869 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.823 13.945 -9.019 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.382 15.157 -8.575 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.375 14.142 -7.726 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.155 14.747 -7.511 1.00 0.00 C ATOM 1156 OH TYR A 74 11.710 14.953 -6.223 1.00 0.00 O ATOM 0 H TYR A 74 13.572 11.650 -11.593 1.00 0.00 H new ATOM 0 HA TYR A 74 11.593 13.611 -12.221 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.530 13.650 -11.485 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.715 15.120 -11.982 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.228 15.274 -10.702 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.780 13.472 -9.184 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.428 15.634 -8.402 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.978 13.823 -6.888 1.00 0.00 H new ATOM 0 HH TYR A 74 12.371 14.605 -5.589 1.00 0.00 H new ATOM 1166 N CYS A 75 12.644 14.809 -14.310 1.00 0.00 N ATOM 1167 CA CYS A 75 12.977 15.247 -15.659 1.00 0.00 C ATOM 1168 C CYS A 75 13.751 16.556 -15.613 1.00 0.00 C ATOM 1169 O CYS A 75 13.426 17.457 -14.835 1.00 0.00 O ATOM 1170 CB CYS A 75 11.717 15.438 -16.499 1.00 0.00 C ATOM 1171 SG CYS A 75 10.612 13.996 -16.560 1.00 0.00 S ATOM 0 H CYS A 75 12.144 15.503 -13.754 1.00 0.00 H new ATOM 0 HA CYS A 75 13.593 14.473 -16.117 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.160 16.288 -16.104 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.012 15.695 -17.516 1.00 0.00 H new ATOM 1176 N LYS A 76 14.774 16.662 -16.444 1.00 0.00 N ATOM 1177 CA LYS A 76 15.575 17.873 -16.504 1.00 0.00 C ATOM 1178 C LYS A 76 14.980 18.852 -17.508 1.00 0.00 C ATOM 1179 O LYS A 76 15.358 18.864 -18.679 1.00 0.00 O ATOM 1180 CB LYS A 76 17.025 17.549 -16.881 1.00 0.00 C ATOM 1181 CG LYS A 76 17.931 18.770 -16.950 1.00 0.00 C ATOM 1182 CD LYS A 76 19.358 18.379 -17.294 1.00 0.00 C ATOM 1183 CE LYS A 76 20.272 19.591 -17.394 1.00 0.00 C ATOM 1184 NZ LYS A 76 20.318 20.360 -16.121 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.069 15.926 -17.085 1.00 0.00 H new ATOM 0 HA LYS A 76 15.570 18.333 -15.516 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.432 16.848 -16.152 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.035 17.046 -17.848 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.552 19.465 -17.699 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.915 19.292 -15.993 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.741 17.698 -16.534 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.368 17.838 -18.240 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.278 19.266 -17.658 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.926 20.241 -18.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.095 21.050 -16.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.417 20.861 -15.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.474 19.707 -15.327 1.00 0.00 H new ATOM 1198 N ILE A 77 14.021 19.645 -17.052 1.00 0.00 N ATOM 1199 CA ILE A 77 13.463 20.699 -17.884 1.00 0.00 C ATOM 1200 C ILE A 77 14.331 21.945 -17.719 1.00 0.00 C ATOM 1201 O ILE A 77 14.795 22.217 -16.610 1.00 0.00 O ATOM 1202 CB ILE A 77 11.993 21.026 -17.501 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.144 19.753 -17.423 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.375 22.005 -18.489 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.279 18.833 -18.616 1.00 0.00 C ATOM 0 H ILE A 77 13.616 19.579 -16.118 1.00 0.00 H new ATOM 0 HA ILE A 77 13.456 20.362 -18.921 1.00 0.00 H new ATOM 0 HB ILE A 77 12.010 21.491 -16.515 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.419 19.203 -16.523 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.097 20.036 -17.316 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.346 22.216 -18.197 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.949 22.931 -18.491 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.386 21.569 -19.488 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.644 17.959 -18.475 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.974 19.361 -19.519 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.317 18.515 -18.715 1.00 0.00 H new ATOM 1217 N PRO A 78 14.591 22.702 -18.805 1.00 0.00 N ATOM 1218 CA PRO A 78 15.438 23.902 -18.748 1.00 0.00 C ATOM 1219 C PRO A 78 14.839 24.979 -17.851 1.00 0.00 C ATOM 1220 O PRO A 78 13.879 24.742 -17.140 1.00 0.00 O ATOM 1221 CB PRO A 78 15.485 24.382 -20.204 1.00 0.00 C ATOM 1222 CG PRO A 78 15.087 23.198 -21.007 1.00 0.00 C ATOM 1223 CD PRO A 78 14.085 22.474 -20.163 1.00 0.00 C ATOM 0 HA PRO A 78 16.422 23.689 -18.329 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.804 25.218 -20.367 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.483 24.726 -20.475 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.656 23.496 -21.962 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.946 22.565 -21.229 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.079 22.874 -20.294 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.040 21.413 -20.407 1.00 0.00 H new