USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 617 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 35 HIS : no HE2:sc= -3.82! C(o=-7.7!,f=-8.3!) USER MOD Set 1.2: A 79 TYR OH : rot 90:sc= -3.92! USER MOD Set 2.1: A 71 SER OG : rot 150:sc= 0.618 USER MOD Set 2.2: A 72 LYS NZ :NH3+ 131:sc= 0.452 (180deg=0) USER MOD Set 3.1: A 16 TYR OH : rot -160:sc= 0.677 USER MOD Set 3.2: A 68 SER OG : rot -113:sc= -2.33! USER MOD Set 4.1: A 45 GLN : amide:sc= -6.92! C(o=-9.6!,f=-9.3!) USER MOD Set 4.2: A 49 ASN : amide:sc= -2.65! K(o=-9.6!,f=-6.2) USER MOD Single : A 2 ASN : amide:sc= 0.496 K(o=0.5,f=-5.3!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 77:sc= 1.19 USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -2.05! (180deg=-2.22!) USER MOD Single : A 10 MET CE :methyl 166:sc= -0.625 (180deg=-1.08) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.482 (180deg=-0.758) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.46! C(o=-4.5!,f=-3.8!) USER MOD Single : A 24 SER OG : rot -26:sc= 0.782 USER MOD Single : A 29 ASN : amide:sc= -1.07 K(o=-1.1,f=-9.8!) USER MOD Single : A 36 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0027) USER MOD Single : A 37 GLN : amide:sc= 0.884 K(o=0.88,f=-0.38) USER MOD Single : A 39 GLN : amide:sc= -0.621 K(o=-0.62,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 77:sc= 0.337 USER MOD Single : A 46 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 52 LYS NZ :NH3+ -115:sc= 1.23 (180deg=-0.273) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 60 ASN : amide:sc= -1.19! K(o=-1.2!,f=-0.15) USER MOD Single : A 62 ASN : amide:sc= -2.09! K(o=-2.1!,f=-1) USER MOD Single : A 64 ASN : amide:sc= -0.649 K(o=-0.65,f=-3!) USER MOD Single : A 65 ASN : amide:sc= -5.43! C(o=-5.4!,f=-3.8!) USER MOD Single : A 74 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.22) USER MOD Single : A 76 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.68) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 -6.417 -0.490 9.391 1.00 0.00 N ATOM 23 CA ASN A 2 -7.165 0.831 9.530 1.00 0.00 C ATOM 24 C ASN A 2 -6.178 1.980 9.252 1.00 0.00 C ATOM 25 O ASN A 2 -5.002 1.736 9.084 1.00 0.00 O ATOM 26 CB ASN A 2 -7.738 1.091 10.992 1.00 0.00 C ATOM 27 CG ASN A 2 -6.608 1.301 12.011 1.00 0.00 C ATOM 28 OD1 ASN A 2 -5.543 0.735 11.950 1.00 0.00 O ATOM 29 ND2 ASN A 2 -6.743 2.113 13.004 1.00 0.00 N ATOM 0 HA ASN A 2 -8.000 0.785 8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.385 1.968 10.979 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -8.353 0.245 11.299 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.979 2.238 13.668 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.614 2.630 13.125 1.00 0.00 H new ATOM 36 N CYS A 3 -6.676 3.181 9.216 1.00 0.00 N ATOM 37 CA CYS A 3 -5.824 4.392 8.963 1.00 0.00 C ATOM 38 C CYS A 3 -4.438 4.374 9.663 1.00 0.00 C ATOM 39 O CYS A 3 -3.371 4.390 9.067 1.00 0.00 O ATOM 40 CB CYS A 3 -6.687 5.599 9.408 1.00 0.00 C ATOM 41 SG CYS A 3 -6.888 6.923 8.200 1.00 0.00 S ATOM 0 H CYS A 3 -7.665 3.388 9.354 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.554 4.437 7.908 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.676 5.231 9.681 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.245 6.022 10.310 1.00 0.00 H new ATOM 46 N GLY A 4 -4.529 4.317 10.963 1.00 0.00 N ATOM 47 CA GLY A 4 -3.283 4.301 11.783 1.00 0.00 C ATOM 48 C GLY A 4 -2.425 3.073 11.580 1.00 0.00 C ATOM 49 O GLY A 4 -1.240 3.241 11.400 1.00 0.00 O ATOM 0 H GLY A 4 -5.402 4.281 11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.693 5.186 11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.553 4.372 12.837 1.00 0.00 H new ATOM 53 N GLN A 5 -2.969 1.881 11.604 1.00 0.00 N ATOM 54 CA GLN A 5 -2.069 0.701 11.389 1.00 0.00 C ATOM 55 C GLN A 5 -1.453 0.852 9.978 1.00 0.00 C ATOM 56 O GLN A 5 -0.292 0.563 9.779 1.00 0.00 O ATOM 57 CB GLN A 5 -2.935 -0.555 11.564 1.00 0.00 C ATOM 58 CG GLN A 5 -2.031 -1.831 11.506 1.00 0.00 C ATOM 59 CD GLN A 5 -2.691 -2.985 12.258 1.00 0.00 C ATOM 60 OE1 GLN A 5 -3.798 -3.371 11.971 1.00 0.00 O ATOM 61 NE2 GLN A 5 -2.089 -3.588 13.228 1.00 0.00 N ATOM 0 H GLN A 5 -3.956 1.675 11.756 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.242 0.629 12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.463 -0.515 12.517 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.692 -0.598 10.781 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.859 -2.116 10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.056 -1.614 11.943 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.152 -3.297 13.506 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.550 -4.356 13.716 1.00 0.00 H new ATOM 70 N VAL A 6 -2.264 1.296 9.041 1.00 0.00 N ATOM 71 CA VAL A 6 -1.781 1.505 7.639 1.00 0.00 C ATOM 72 C VAL A 6 -0.533 2.381 7.692 1.00 0.00 C ATOM 73 O VAL A 6 0.516 1.904 7.323 1.00 0.00 O ATOM 74 CB VAL A 6 -2.918 2.186 6.796 1.00 0.00 C ATOM 75 CG1 VAL A 6 -2.518 3.528 6.189 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.321 1.305 5.658 1.00 0.00 C ATOM 0 H VAL A 6 -3.247 1.523 9.192 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.531 0.556 7.164 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.731 2.349 7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.355 3.935 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.248 4.221 6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.665 3.387 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.110 1.791 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.460 1.126 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.688 0.355 6.046 1.00 0.00 H new ATOM 86 N ASP A 7 -0.636 3.605 8.138 1.00 0.00 N ATOM 87 CA ASP A 7 0.553 4.468 8.202 1.00 0.00 C ATOM 88 C ASP A 7 1.617 3.842 9.127 1.00 0.00 C ATOM 89 O ASP A 7 2.765 3.826 8.747 1.00 0.00 O ATOM 90 CB ASP A 7 -0.043 5.826 8.615 1.00 0.00 C ATOM 91 CG ASP A 7 1.053 6.813 8.913 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.723 6.611 9.907 1.00 0.00 O ATOM 93 OD2 ASP A 7 1.234 7.747 8.156 1.00 0.00 O ATOM 0 H ASP A 7 -1.503 4.036 8.460 1.00 0.00 H new ATOM 0 HA ASP A 7 1.119 4.592 7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.678 6.209 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.676 5.700 9.493 1.00 0.00 H new ATOM 98 N SER A 8 1.256 3.341 10.276 1.00 0.00 N ATOM 99 CA SER A 8 2.261 2.713 11.204 1.00 0.00 C ATOM 100 C SER A 8 3.045 1.620 10.475 1.00 0.00 C ATOM 101 O SER A 8 4.221 1.429 10.711 1.00 0.00 O ATOM 102 CB SER A 8 1.590 2.028 12.411 1.00 0.00 C ATOM 103 OG SER A 8 0.895 3.054 13.105 1.00 0.00 O ATOM 0 H SER A 8 0.297 3.336 10.623 1.00 0.00 H new ATOM 0 HA SER A 8 2.906 3.523 11.543 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.906 1.245 12.085 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.332 1.555 13.054 1.00 0.00 H new ATOM 0 HG SER A 8 0.067 3.270 12.627 1.00 0.00 H new ATOM 109 N LYS A 9 2.361 0.916 9.601 1.00 0.00 N ATOM 110 CA LYS A 9 2.983 -0.192 8.815 1.00 0.00 C ATOM 111 C LYS A 9 3.705 0.387 7.627 1.00 0.00 C ATOM 112 O LYS A 9 4.919 0.344 7.535 1.00 0.00 O ATOM 113 CB LYS A 9 1.870 -1.139 8.332 1.00 0.00 C ATOM 114 CG LYS A 9 2.347 -2.454 7.567 1.00 0.00 C ATOM 115 CD LYS A 9 3.893 -2.677 7.386 1.00 0.00 C ATOM 116 CE LYS A 9 4.664 -2.135 6.214 1.00 0.00 C ATOM 117 NZ LYS A 9 6.102 -2.302 6.637 1.00 0.00 N ATOM 0 H LYS A 9 1.373 1.070 9.398 1.00 0.00 H new ATOM 0 HA LYS A 9 3.692 -0.741 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.278 -1.441 9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.207 -0.580 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.944 -3.316 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.891 -2.449 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.371 -2.280 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.053 -3.755 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.447 -2.687 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.420 -1.090 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.716 -2.281 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.367 -1.528 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.216 -3.213 7.126 1.00 0.00 H new ATOM 131 N MET A 10 2.925 0.909 6.730 1.00 0.00 N ATOM 132 CA MET A 10 3.480 1.517 5.501 1.00 0.00 C ATOM 133 C MET A 10 4.622 2.580 5.770 1.00 0.00 C ATOM 134 O MET A 10 5.639 2.533 5.116 1.00 0.00 O ATOM 135 CB MET A 10 2.233 2.071 4.778 1.00 0.00 C ATOM 136 CG MET A 10 1.315 0.912 4.191 1.00 0.00 C ATOM 137 SD MET A 10 0.893 -0.553 5.179 1.00 0.00 S ATOM 138 CE MET A 10 1.205 -1.944 4.050 1.00 0.00 C ATOM 0 H MET A 10 1.908 0.940 6.800 1.00 0.00 H new ATOM 0 HA MET A 10 4.016 0.798 4.882 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.651 2.676 5.473 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.547 2.729 3.968 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.374 1.374 3.890 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.799 0.553 3.282 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.221 -2.875 4.616 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.415 -1.989 3.301 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.166 -1.803 3.556 1.00 0.00 H new ATOM 148 N LYS A 11 4.481 3.515 6.684 1.00 0.00 N ATOM 149 CA LYS A 11 5.558 4.553 6.962 1.00 0.00 C ATOM 150 C LYS A 11 7.044 4.231 6.625 1.00 0.00 C ATOM 151 O LYS A 11 7.611 4.862 5.751 1.00 0.00 O ATOM 152 CB LYS A 11 5.387 4.936 8.444 1.00 0.00 C ATOM 153 CG LYS A 11 6.471 5.946 8.938 1.00 0.00 C ATOM 154 CD LYS A 11 5.859 7.351 8.897 1.00 0.00 C ATOM 155 CE LYS A 11 4.670 7.365 9.862 1.00 0.00 C ATOM 156 NZ LYS A 11 3.675 8.331 9.317 1.00 0.00 N ATOM 0 H LYS A 11 3.650 3.612 7.267 1.00 0.00 H new ATOM 0 HA LYS A 11 5.387 5.361 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.398 5.371 8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.432 4.034 9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.790 5.698 9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.356 5.897 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.597 8.099 9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.535 7.598 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.233 6.370 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.988 7.662 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.751 8.167 9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.989 9.302 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.590 8.199 8.289 1.00 0.00 H new ATOM 170 N PRO A 12 7.686 3.285 7.273 1.00 0.00 N ATOM 171 CA PRO A 12 9.101 2.924 6.926 1.00 0.00 C ATOM 172 C PRO A 12 9.206 2.632 5.413 1.00 0.00 C ATOM 173 O PRO A 12 10.059 3.128 4.692 1.00 0.00 O ATOM 174 CB PRO A 12 9.393 1.730 7.870 1.00 0.00 C ATOM 175 CG PRO A 12 7.971 1.173 8.197 1.00 0.00 C ATOM 176 CD PRO A 12 7.133 2.442 8.372 1.00 0.00 C ATOM 0 HA PRO A 12 9.846 3.705 7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.018 0.979 7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.917 2.049 8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.589 0.545 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.975 0.564 9.101 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.066 2.254 8.254 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.270 2.897 9.353 1.00 0.00 H new ATOM 184 N CYS A 13 8.298 1.820 4.952 1.00 0.00 N ATOM 185 CA CYS A 13 8.282 1.459 3.512 1.00 0.00 C ATOM 186 C CYS A 13 8.091 2.802 2.739 1.00 0.00 C ATOM 187 O CYS A 13 8.669 3.031 1.696 1.00 0.00 O ATOM 188 CB CYS A 13 7.146 0.483 3.334 1.00 0.00 C ATOM 189 SG CYS A 13 7.025 -0.890 4.513 1.00 0.00 S ATOM 0 H CYS A 13 7.564 1.390 5.514 1.00 0.00 H new ATOM 0 HA CYS A 13 9.188 0.981 3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.212 1.044 3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.221 0.060 2.332 1.00 0.00 H new ATOM 194 N LEU A 14 7.272 3.690 3.257 1.00 0.00 N ATOM 195 CA LEU A 14 7.082 5.004 2.550 1.00 0.00 C ATOM 196 C LEU A 14 8.514 5.520 2.335 1.00 0.00 C ATOM 197 O LEU A 14 8.850 5.990 1.270 1.00 0.00 O ATOM 198 CB LEU A 14 6.282 6.007 3.392 1.00 0.00 C ATOM 199 CG LEU A 14 4.951 5.376 3.808 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.080 6.462 4.368 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.205 4.645 2.687 1.00 0.00 C ATOM 0 H LEU A 14 6.738 3.569 4.117 1.00 0.00 H new ATOM 0 HA LEU A 14 6.518 4.882 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.853 6.294 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.102 6.917 2.820 1.00 0.00 H new ATOM 0 HG LEU A 14 5.182 4.606 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.123 6.040 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.570 6.912 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.914 7.224 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.275 4.232 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.981 5.345 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.827 3.837 2.302 1.00 0.00 H new ATOM 213 N THR A 15 9.352 5.427 3.342 1.00 0.00 N ATOM 214 CA THR A 15 10.768 5.897 3.160 1.00 0.00 C ATOM 215 C THR A 15 11.273 5.175 1.885 1.00 0.00 C ATOM 216 O THR A 15 11.823 5.781 0.989 1.00 0.00 O ATOM 217 CB THR A 15 11.531 5.526 4.442 1.00 0.00 C ATOM 218 OG1 THR A 15 12.018 6.757 4.929 1.00 0.00 O ATOM 219 CG2 THR A 15 12.719 4.680 4.172 1.00 0.00 C ATOM 0 H THR A 15 9.126 5.055 4.264 1.00 0.00 H new ATOM 0 HA THR A 15 10.894 6.971 3.021 1.00 0.00 H new ATOM 0 HB THR A 15 10.875 4.978 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.521 6.606 5.756 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.221 4.447 5.111 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.405 3.755 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.406 5.216 3.517 1.00 0.00 H new ATOM 227 N TYR A 16 11.059 3.886 1.847 1.00 0.00 N ATOM 228 CA TYR A 16 11.472 3.025 0.660 1.00 0.00 C ATOM 229 C TYR A 16 10.939 3.619 -0.679 1.00 0.00 C ATOM 230 O TYR A 16 11.757 3.950 -1.518 1.00 0.00 O ATOM 231 CB TYR A 16 10.946 1.590 0.964 1.00 0.00 C ATOM 232 CG TYR A 16 10.561 0.680 -0.211 1.00 0.00 C ATOM 233 CD1 TYR A 16 11.511 0.109 -1.015 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.233 0.389 -0.451 1.00 0.00 C ATOM 235 CE1 TYR A 16 11.140 -0.747 -2.032 1.00 0.00 C ATOM 236 CE2 TYR A 16 8.866 -0.465 -1.467 1.00 0.00 C ATOM 237 CZ TYR A 16 9.823 -1.040 -2.258 1.00 0.00 C ATOM 238 OH TYR A 16 9.456 -1.925 -3.246 1.00 0.00 O ATOM 0 H TYR A 16 10.606 3.367 2.599 1.00 0.00 H new ATOM 0 HA TYR A 16 12.554 2.996 0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.711 1.074 1.544 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.071 1.688 1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.556 0.330 -0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.470 0.838 0.168 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.900 -1.192 -2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.822 -0.681 -1.640 1.00 0.00 H new ATOM 0 HH TYR A 16 8.516 -1.781 -3.482 1.00 0.00 H new ATOM 248 N VAL A 17 9.640 3.739 -0.826 1.00 0.00 N ATOM 249 CA VAL A 17 9.037 4.310 -2.077 1.00 0.00 C ATOM 250 C VAL A 17 9.669 5.656 -2.430 1.00 0.00 C ATOM 251 O VAL A 17 9.718 5.944 -3.610 1.00 0.00 O ATOM 252 CB VAL A 17 7.484 4.512 -1.963 1.00 0.00 C ATOM 253 CG1 VAL A 17 6.722 3.168 -2.026 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.134 5.175 -0.670 1.00 0.00 C ATOM 0 H VAL A 17 8.959 3.461 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 17 9.239 3.580 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 17 7.190 5.135 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.651 3.353 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.933 2.674 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.044 2.528 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.054 5.306 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.471 4.554 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.622 6.148 -0.617 1.00 0.00 H new ATOM 264 N GLN A 18 10.114 6.431 -1.459 1.00 0.00 N ATOM 265 CA GLN A 18 10.742 7.755 -1.833 1.00 0.00 C ATOM 266 C GLN A 18 12.213 7.469 -2.211 1.00 0.00 C ATOM 267 O GLN A 18 12.739 8.010 -3.164 1.00 0.00 O ATOM 268 CB GLN A 18 10.728 8.803 -0.626 1.00 0.00 C ATOM 269 CG GLN A 18 9.917 8.332 0.586 1.00 0.00 C ATOM 270 CD GLN A 18 9.846 9.320 1.760 1.00 0.00 C ATOM 271 OE1 GLN A 18 10.070 10.504 1.646 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.519 8.875 2.932 1.00 0.00 N ATOM 0 H GLN A 18 10.075 6.219 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 18 10.171 8.193 -2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.754 8.998 -0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.318 9.749 -0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.901 8.112 0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.346 7.397 0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.323 7.883 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.457 9.517 3.722 1.00 0.00 H new ATOM 281 N GLY A 19 12.821 6.620 -1.427 1.00 0.00 N ATOM 282 CA GLY A 19 14.252 6.204 -1.620 1.00 0.00 C ATOM 283 C GLY A 19 14.840 5.588 -0.339 1.00 0.00 C ATOM 284 O GLY A 19 15.770 6.110 0.246 1.00 0.00 O ATOM 0 H GLY A 19 12.370 6.177 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.315 5.482 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.846 7.069 -1.915 1.00 0.00 H new ATOM 288 N GLY A 20 14.280 4.475 0.061 1.00 0.00 N ATOM 289 CA GLY A 20 14.768 3.767 1.312 1.00 0.00 C ATOM 290 C GLY A 20 15.525 2.479 0.971 1.00 0.00 C ATOM 291 O GLY A 20 15.467 2.034 -0.156 1.00 0.00 O ATOM 0 H GLY A 20 13.505 4.016 -0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.419 4.434 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.918 3.532 1.953 1.00 0.00 H new ATOM 295 N PRO A 21 16.204 1.880 1.926 1.00 0.00 N ATOM 296 CA PRO A 21 17.006 0.633 1.703 1.00 0.00 C ATOM 297 C PRO A 21 15.968 -0.492 1.903 1.00 0.00 C ATOM 298 O PRO A 21 16.091 -1.389 2.715 1.00 0.00 O ATOM 299 CB PRO A 21 18.080 0.756 2.775 1.00 0.00 C ATOM 300 CG PRO A 21 17.243 1.284 3.979 1.00 0.00 C ATOM 301 CD PRO A 21 16.283 2.332 3.344 1.00 0.00 C ATOM 0 HA PRO A 21 17.495 0.454 0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 21 18.557 -0.200 2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.871 1.449 2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.690 0.479 4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.880 1.736 4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.305 2.331 3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.677 3.345 3.426 1.00 0.00 H new ATOM 309 N GLY A 22 14.949 -0.357 1.098 1.00 0.00 N ATOM 310 CA GLY A 22 13.806 -1.306 1.111 1.00 0.00 C ATOM 311 C GLY A 22 13.491 -2.032 -0.215 1.00 0.00 C ATOM 312 O GLY A 22 13.985 -1.669 -1.262 1.00 0.00 O ATOM 0 H GLY A 22 14.862 0.394 0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.999 -2.060 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.914 -0.760 1.420 1.00 0.00 H new ATOM 316 N PRO A 23 12.658 -3.044 -0.114 1.00 0.00 N ATOM 317 CA PRO A 23 11.944 -3.439 1.135 1.00 0.00 C ATOM 318 C PRO A 23 12.782 -4.435 1.994 1.00 0.00 C ATOM 319 O PRO A 23 13.723 -5.042 1.520 1.00 0.00 O ATOM 320 CB PRO A 23 10.610 -4.016 0.604 1.00 0.00 C ATOM 321 CG PRO A 23 10.781 -4.094 -0.975 1.00 0.00 C ATOM 322 CD PRO A 23 12.292 -3.933 -1.237 1.00 0.00 C ATOM 0 HA PRO A 23 11.774 -2.616 1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.412 -5.001 1.027 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.770 -3.378 0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.415 -5.045 -1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.211 -3.308 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.823 -4.884 -1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.500 -3.484 -2.208 1.00 0.00 H new ATOM 330 N SER A 24 12.414 -4.575 3.244 1.00 0.00 N ATOM 331 CA SER A 24 13.163 -5.515 4.160 1.00 0.00 C ATOM 332 C SER A 24 12.515 -6.904 4.332 1.00 0.00 C ATOM 333 O SER A 24 13.019 -7.707 5.091 1.00 0.00 O ATOM 334 CB SER A 24 13.317 -4.820 5.538 1.00 0.00 C ATOM 335 OG SER A 24 14.287 -5.611 6.224 1.00 0.00 O ATOM 0 H SER A 24 11.631 -4.084 3.676 1.00 0.00 H new ATOM 0 HA SER A 24 14.128 -5.715 3.695 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.650 -3.788 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.371 -4.793 6.078 1.00 0.00 H new ATOM 0 HG SER A 24 14.266 -6.527 5.878 1.00 0.00 H new ATOM 341 N GLY A 25 11.431 -7.151 3.639 1.00 0.00 N ATOM 342 CA GLY A 25 10.735 -8.506 3.748 1.00 0.00 C ATOM 343 C GLY A 25 9.306 -8.526 4.302 1.00 0.00 C ATOM 344 O GLY A 25 8.441 -9.255 3.849 1.00 0.00 O ATOM 0 H GLY A 25 10.988 -6.489 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.717 -8.955 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.349 -9.150 4.378 1.00 0.00 H new ATOM 348 N GLU A 26 9.098 -7.712 5.293 1.00 0.00 N ATOM 349 CA GLU A 26 7.747 -7.640 5.922 1.00 0.00 C ATOM 350 C GLU A 26 6.824 -6.684 5.154 1.00 0.00 C ATOM 351 O GLU A 26 5.691 -7.050 4.950 1.00 0.00 O ATOM 352 CB GLU A 26 8.000 -7.237 7.409 1.00 0.00 C ATOM 353 CG GLU A 26 8.739 -5.865 7.602 1.00 0.00 C ATOM 354 CD GLU A 26 7.837 -4.686 7.267 1.00 0.00 C ATOM 355 OE1 GLU A 26 6.701 -4.669 7.704 1.00 0.00 O ATOM 356 OE2 GLU A 26 8.326 -3.824 6.563 1.00 0.00 O ATOM 0 H GLU A 26 9.801 -7.093 5.697 1.00 0.00 H new ATOM 0 HA GLU A 26 7.215 -8.591 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.042 -7.194 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.587 -8.021 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.082 -5.779 8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.625 -5.837 6.968 1.00 0.00 H new ATOM 363 N CYS A 27 7.258 -5.518 4.739 1.00 0.00 N ATOM 364 CA CYS A 27 6.360 -4.584 3.981 1.00 0.00 C ATOM 365 C CYS A 27 5.328 -5.275 3.070 1.00 0.00 C ATOM 366 O CYS A 27 4.141 -5.114 3.268 1.00 0.00 O ATOM 367 CB CYS A 27 7.214 -3.629 3.119 1.00 0.00 C ATOM 368 SG CYS A 27 8.254 -2.374 3.909 1.00 0.00 S ATOM 0 H CYS A 27 8.204 -5.169 4.893 1.00 0.00 H new ATOM 0 HA CYS A 27 5.792 -4.050 4.742 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.866 -4.247 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.535 -3.108 2.444 1.00 0.00 H new ATOM 373 N CYS A 28 5.802 -6.029 2.112 1.00 0.00 N ATOM 374 CA CYS A 28 4.866 -6.742 1.169 1.00 0.00 C ATOM 375 C CYS A 28 3.933 -7.764 1.856 1.00 0.00 C ATOM 376 O CYS A 28 2.825 -8.055 1.434 1.00 0.00 O ATOM 377 CB CYS A 28 5.742 -7.382 0.092 1.00 0.00 C ATOM 378 SG CYS A 28 6.803 -8.780 0.502 1.00 0.00 S ATOM 0 H CYS A 28 6.794 -6.186 1.936 1.00 0.00 H new ATOM 0 HA CYS A 28 4.169 -6.024 0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.082 -7.702 -0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.382 -6.598 -0.313 1.00 0.00 H new ATOM 383 N ASN A 29 4.406 -8.275 2.950 1.00 0.00 N ATOM 384 CA ASN A 29 3.605 -9.278 3.716 1.00 0.00 C ATOM 385 C ASN A 29 2.513 -8.499 4.449 1.00 0.00 C ATOM 386 O ASN A 29 1.354 -8.868 4.470 1.00 0.00 O ATOM 387 CB ASN A 29 4.559 -10.008 4.682 1.00 0.00 C ATOM 388 CG ASN A 29 4.706 -11.408 4.133 1.00 0.00 C ATOM 389 OD1 ASN A 29 3.747 -12.142 3.974 1.00 0.00 O ATOM 390 ND2 ASN A 29 5.888 -11.821 3.820 1.00 0.00 N ATOM 0 H ASN A 29 5.314 -8.046 3.354 1.00 0.00 H new ATOM 0 HA ASN A 29 3.136 -10.031 3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.524 -9.505 4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.154 -10.025 5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.017 -12.759 3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.693 -11.209 3.952 1.00 0.00 H new ATOM 397 N GLY A 30 2.961 -7.417 5.037 1.00 0.00 N ATOM 398 CA GLY A 30 2.053 -6.501 5.794 1.00 0.00 C ATOM 399 C GLY A 30 0.929 -6.227 4.810 1.00 0.00 C ATOM 400 O GLY A 30 -0.225 -6.360 5.154 1.00 0.00 O ATOM 0 H GLY A 30 3.938 -7.125 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.683 -6.967 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.562 -5.583 6.088 1.00 0.00 H new ATOM 404 N VAL A 31 1.304 -5.845 3.608 1.00 0.00 N ATOM 405 CA VAL A 31 0.259 -5.567 2.562 1.00 0.00 C ATOM 406 C VAL A 31 -0.678 -6.770 2.520 1.00 0.00 C ATOM 407 O VAL A 31 -1.867 -6.595 2.683 1.00 0.00 O ATOM 408 CB VAL A 31 0.807 -5.432 1.133 1.00 0.00 C ATOM 409 CG1 VAL A 31 -0.140 -4.538 0.383 1.00 0.00 C ATOM 410 CG2 VAL A 31 2.116 -4.765 1.114 1.00 0.00 C ATOM 0 H VAL A 31 2.270 -5.715 3.308 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.207 -4.622 2.842 1.00 0.00 H new ATOM 0 HB VAL A 31 0.906 -6.427 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.211 -4.414 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.133 -4.986 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.186 -3.565 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.470 -4.688 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.022 -3.766 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.828 -5.345 1.701 1.00 0.00 H new ATOM 420 N ARG A 32 -0.157 -7.953 2.285 1.00 0.00 N ATOM 421 CA ARG A 32 -1.081 -9.153 2.255 1.00 0.00 C ATOM 422 C ARG A 32 -2.033 -9.091 3.486 1.00 0.00 C ATOM 423 O ARG A 32 -3.236 -9.127 3.329 1.00 0.00 O ATOM 424 CB ARG A 32 -0.258 -10.460 2.298 1.00 0.00 C ATOM 425 CG ARG A 32 0.608 -10.542 1.018 1.00 0.00 C ATOM 426 CD ARG A 32 1.064 -11.957 0.682 1.00 0.00 C ATOM 427 NE ARG A 32 2.138 -12.380 1.649 1.00 0.00 N ATOM 428 CZ ARG A 32 2.761 -13.493 1.522 1.00 0.00 C ATOM 429 NH1 ARG A 32 3.113 -13.910 0.365 1.00 0.00 N ATOM 430 NH2 ARG A 32 3.012 -14.150 2.587 1.00 0.00 N ATOM 0 H ARG A 32 0.831 -8.145 2.117 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.665 -9.138 1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.375 -10.479 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.921 -11.323 2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.039 -10.143 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.485 -9.906 1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.220 -12.645 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.443 -11.996 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 32 2.376 -11.764 2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.898 -13.356 -0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.609 -14.797 0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.719 -13.784 3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.506 -15.041 2.532 1.00 0.00 H new ATOM 444 N ASP A 33 -1.455 -9.010 4.659 1.00 0.00 N ATOM 445 CA ASP A 33 -2.271 -8.927 5.924 1.00 0.00 C ATOM 446 C ASP A 33 -3.414 -7.918 5.704 1.00 0.00 C ATOM 447 O ASP A 33 -4.563 -8.252 5.900 1.00 0.00 O ATOM 448 CB ASP A 33 -1.352 -8.477 7.077 1.00 0.00 C ATOM 449 CG ASP A 33 -1.279 -9.559 8.155 1.00 0.00 C ATOM 450 OD1 ASP A 33 -2.245 -9.636 8.901 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.264 -10.228 8.151 1.00 0.00 O ATOM 0 H ASP A 33 -0.445 -8.997 4.802 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.701 -9.896 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.353 -8.269 6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.728 -7.549 7.509 1.00 0.00 H new ATOM 456 N LEU A 34 -3.120 -6.704 5.292 1.00 0.00 N ATOM 457 CA LEU A 34 -4.290 -5.778 5.091 1.00 0.00 C ATOM 458 C LEU A 34 -5.148 -6.372 3.926 1.00 0.00 C ATOM 459 O LEU A 34 -6.349 -6.259 3.981 1.00 0.00 O ATOM 460 CB LEU A 34 -3.856 -4.327 4.689 1.00 0.00 C ATOM 461 CG LEU A 34 -2.856 -3.657 5.727 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.481 -3.550 5.125 1.00 0.00 C ATOM 463 CD2 LEU A 34 -3.179 -2.185 6.069 1.00 0.00 C ATOM 0 H LEU A 34 -2.191 -6.331 5.097 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.837 -5.703 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.383 -4.356 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.745 -3.702 4.597 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.936 -4.294 6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.804 -3.090 5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.117 -4.545 4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.525 -2.937 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.447 -1.808 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.142 -1.584 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.176 -2.123 6.505 1.00 0.00 H new ATOM 475 N HIS A 35 -4.562 -6.994 2.928 1.00 0.00 N ATOM 476 CA HIS A 35 -5.365 -7.572 1.787 1.00 0.00 C ATOM 477 C HIS A 35 -6.227 -8.791 2.198 1.00 0.00 C ATOM 478 O HIS A 35 -7.138 -9.177 1.490 1.00 0.00 O ATOM 479 CB HIS A 35 -4.382 -7.970 0.678 1.00 0.00 C ATOM 480 CG HIS A 35 -5.108 -8.246 -0.632 1.00 0.00 C ATOM 481 ND1 HIS A 35 -5.981 -9.172 -0.859 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.983 -7.582 -1.823 1.00 0.00 C ATOM 483 CE1 HIS A 35 -6.374 -9.101 -2.093 1.00 0.00 C ATOM 484 NE2 HIS A 35 -5.777 -8.124 -2.728 1.00 0.00 N ATOM 0 H HIS A 35 -3.554 -7.130 2.850 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.069 -6.813 1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.653 -7.173 0.531 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.827 -8.857 0.982 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.310 -9.853 -0.174 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.331 -6.739 -1.997 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.101 -9.763 -2.540 1.00 0.00 H new ATOM 492 N ASN A 36 -5.873 -9.366 3.307 1.00 0.00 N ATOM 493 CA ASN A 36 -6.566 -10.554 3.903 1.00 0.00 C ATOM 494 C ASN A 36 -7.545 -10.107 5.021 1.00 0.00 C ATOM 495 O ASN A 36 -8.611 -10.671 5.168 1.00 0.00 O ATOM 496 CB ASN A 36 -5.427 -11.495 4.383 1.00 0.00 C ATOM 497 CG ASN A 36 -4.849 -12.200 3.149 1.00 0.00 C ATOM 498 OD1 ASN A 36 -5.171 -13.328 2.865 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.010 -11.618 2.354 1.00 0.00 N ATOM 0 H ASN A 36 -5.081 -9.044 3.864 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.200 -11.087 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.652 -10.926 4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.810 -12.225 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.656 -12.113 1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.703 -10.664 2.546 1.00 0.00 H new ATOM 506 N GLN A 37 -7.142 -9.102 5.760 1.00 0.00 N ATOM 507 CA GLN A 37 -7.962 -8.532 6.885 1.00 0.00 C ATOM 508 C GLN A 37 -9.052 -7.644 6.243 1.00 0.00 C ATOM 509 O GLN A 37 -10.159 -7.552 6.738 1.00 0.00 O ATOM 510 CB GLN A 37 -7.085 -7.632 7.804 1.00 0.00 C ATOM 511 CG GLN A 37 -6.009 -8.364 8.663 1.00 0.00 C ATOM 512 CD GLN A 37 -5.243 -7.345 9.540 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.792 -6.401 10.083 1.00 0.00 O ATOM 514 NE2 GLN A 37 -3.968 -7.483 9.732 1.00 0.00 N ATOM 0 H GLN A 37 -6.245 -8.634 5.627 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.383 -9.340 7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.581 -6.894 7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.745 -7.084 8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.486 -9.113 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.312 -8.892 8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.468 -8.258 9.297 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.465 -6.816 10.318 1.00 0.00 H new ATOM 523 N ALA A 38 -8.677 -7.007 5.158 1.00 0.00 N ATOM 524 CA ALA A 38 -9.622 -6.120 4.411 1.00 0.00 C ATOM 525 C ALA A 38 -10.099 -6.873 3.145 1.00 0.00 C ATOM 526 O ALA A 38 -9.297 -7.413 2.405 1.00 0.00 O ATOM 527 CB ALA A 38 -8.886 -4.857 3.991 1.00 0.00 C ATOM 0 H ALA A 38 -7.742 -7.066 4.754 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.474 -5.857 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.567 -4.204 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.518 -4.339 4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.045 -5.122 3.350 1.00 0.00 H new ATOM 533 N GLN A 39 -11.375 -6.876 2.891 1.00 0.00 N ATOM 534 CA GLN A 39 -11.881 -7.589 1.683 1.00 0.00 C ATOM 535 C GLN A 39 -12.490 -6.659 0.615 1.00 0.00 C ATOM 536 O GLN A 39 -12.050 -6.712 -0.518 1.00 0.00 O ATOM 537 CB GLN A 39 -12.901 -8.641 2.191 1.00 0.00 C ATOM 538 CG GLN A 39 -12.106 -9.684 3.079 1.00 0.00 C ATOM 539 CD GLN A 39 -12.979 -10.788 3.660 1.00 0.00 C ATOM 540 OE1 GLN A 39 -12.532 -11.706 4.310 1.00 0.00 O ATOM 541 NE2 GLN A 39 -14.253 -10.772 3.469 1.00 0.00 N ATOM 0 H GLN A 39 -12.087 -6.420 3.461 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.047 -8.060 1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.688 -8.162 2.774 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.385 -9.142 1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.319 -10.136 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.616 -9.153 3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.678 -10.019 2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.837 -11.512 3.859 1.00 0.00 H new ATOM 550 N SER A 40 -13.433 -5.817 0.966 1.00 0.00 N ATOM 551 CA SER A 40 -14.071 -4.908 -0.055 1.00 0.00 C ATOM 552 C SER A 40 -13.920 -3.366 0.110 1.00 0.00 C ATOM 553 O SER A 40 -13.203 -2.834 0.942 1.00 0.00 O ATOM 554 CB SER A 40 -15.580 -5.319 -0.101 1.00 0.00 C ATOM 555 OG SER A 40 -15.577 -6.648 -0.640 1.00 0.00 O ATOM 0 H SER A 40 -13.793 -5.716 1.915 1.00 0.00 H new ATOM 0 HA SER A 40 -13.522 -5.061 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.028 -5.295 0.893 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.157 -4.639 -0.727 1.00 0.00 H new ATOM 0 HG SER A 40 -16.497 -6.979 -0.699 1.00 0.00 H new ATOM 561 N SER A 41 -14.646 -2.662 -0.734 1.00 0.00 N ATOM 562 CA SER A 41 -14.674 -1.141 -0.789 1.00 0.00 C ATOM 563 C SER A 41 -15.374 -0.443 0.412 1.00 0.00 C ATOM 564 O SER A 41 -16.283 0.358 0.264 1.00 0.00 O ATOM 565 CB SER A 41 -15.386 -0.724 -2.099 1.00 0.00 C ATOM 566 OG SER A 41 -16.718 -1.196 -1.897 1.00 0.00 O ATOM 0 H SER A 41 -15.255 -3.097 -1.427 1.00 0.00 H new ATOM 0 HA SER A 41 -13.635 -0.813 -0.745 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.357 0.355 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.923 -1.180 -2.974 1.00 0.00 H new ATOM 0 HG SER A 41 -17.191 -0.591 -1.288 1.00 0.00 H new ATOM 572 N GLY A 42 -14.891 -0.820 1.559 1.00 0.00 N ATOM 573 CA GLY A 42 -15.350 -0.328 2.903 1.00 0.00 C ATOM 574 C GLY A 42 -14.139 -0.361 3.840 1.00 0.00 C ATOM 575 O GLY A 42 -13.718 0.619 4.412 1.00 0.00 O ATOM 0 H GLY A 42 -14.137 -1.503 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.748 0.684 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.152 -0.958 3.289 1.00 0.00 H new ATOM 579 N ASP A 43 -13.587 -1.532 3.949 1.00 0.00 N ATOM 580 CA ASP A 43 -12.399 -1.788 4.806 1.00 0.00 C ATOM 581 C ASP A 43 -11.134 -1.331 4.024 1.00 0.00 C ATOM 582 O ASP A 43 -10.365 -0.483 4.469 1.00 0.00 O ATOM 583 CB ASP A 43 -12.507 -3.315 5.115 1.00 0.00 C ATOM 584 CG ASP A 43 -12.722 -4.134 3.838 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.728 -4.395 3.211 1.00 0.00 O ATOM 586 OD2 ASP A 43 -13.841 -4.470 3.511 1.00 0.00 O ATOM 0 H ASP A 43 -13.926 -2.359 3.457 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.340 -1.241 5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.599 -3.651 5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -13.333 -3.490 5.804 1.00 0.00 H new ATOM 591 N ARG A 44 -11.004 -1.921 2.856 1.00 0.00 N ATOM 592 CA ARG A 44 -9.883 -1.646 1.920 1.00 0.00 C ATOM 593 C ARG A 44 -9.982 -0.130 1.705 1.00 0.00 C ATOM 594 O ARG A 44 -9.009 0.542 1.937 1.00 0.00 O ATOM 595 CB ARG A 44 -10.112 -2.486 0.587 1.00 0.00 C ATOM 596 CG ARG A 44 -8.953 -3.474 0.260 1.00 0.00 C ATOM 597 CD ARG A 44 -9.177 -4.905 0.807 1.00 0.00 C ATOM 598 NE ARG A 44 -9.578 -5.807 -0.345 1.00 0.00 N ATOM 599 CZ ARG A 44 -8.741 -6.618 -0.869 1.00 0.00 C ATOM 600 NH1 ARG A 44 -8.239 -7.524 -0.150 1.00 0.00 N ATOM 601 NH2 ARG A 44 -8.421 -6.490 -2.086 1.00 0.00 N ATOM 0 H ARG A 44 -11.666 -2.613 2.506 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.893 -1.929 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.041 -3.048 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.237 -1.797 -0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.826 -3.525 -0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.024 -3.079 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.267 -5.276 1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.954 -4.900 1.572 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.531 -5.765 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.503 -7.600 0.832 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.569 -8.181 -0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.831 -5.742 -2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.753 -7.135 -2.508 1.00 0.00 H new ATOM 615 N GLN A 45 -11.125 0.378 1.288 1.00 0.00 N ATOM 616 CA GLN A 45 -11.257 1.873 1.074 1.00 0.00 C ATOM 617 C GLN A 45 -10.673 2.691 2.247 1.00 0.00 C ATOM 618 O GLN A 45 -9.824 3.534 2.029 1.00 0.00 O ATOM 619 CB GLN A 45 -12.764 2.260 0.877 1.00 0.00 C ATOM 620 CG GLN A 45 -13.048 2.482 -0.649 1.00 0.00 C ATOM 621 CD GLN A 45 -12.262 3.665 -1.241 1.00 0.00 C ATOM 622 OE1 GLN A 45 -12.370 3.978 -2.400 1.00 0.00 O ATOM 623 NE2 GLN A 45 -11.444 4.397 -0.556 1.00 0.00 N ATOM 0 H GLN A 45 -11.965 -0.165 1.087 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.684 2.115 0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -13.408 1.472 1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.995 3.166 1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.794 1.574 -1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -14.115 2.653 -0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.292 4.202 0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.951 5.169 -1.006 1.00 0.00 H new ATOM 632 N THR A 46 -11.154 2.438 3.443 1.00 0.00 N ATOM 633 CA THR A 46 -10.653 3.161 4.678 1.00 0.00 C ATOM 634 C THR A 46 -9.121 3.243 4.569 1.00 0.00 C ATOM 635 O THR A 46 -8.527 4.300 4.429 1.00 0.00 O ATOM 636 CB THR A 46 -11.081 2.343 5.928 1.00 0.00 C ATOM 637 OG1 THR A 46 -12.491 2.471 5.976 1.00 0.00 O ATOM 638 CG2 THR A 46 -10.705 3.013 7.232 1.00 0.00 C ATOM 0 H THR A 46 -11.885 1.751 3.627 1.00 0.00 H new ATOM 0 HA THR A 46 -11.066 4.166 4.764 1.00 0.00 H new ATOM 0 HB THR A 46 -10.639 1.350 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.896 1.880 5.308 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.031 2.393 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.624 3.142 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.189 3.987 7.293 1.00 0.00 H new ATOM 646 N VAL A 47 -8.520 2.082 4.620 1.00 0.00 N ATOM 647 CA VAL A 47 -7.033 2.003 4.516 1.00 0.00 C ATOM 648 C VAL A 47 -6.546 2.779 3.265 1.00 0.00 C ATOM 649 O VAL A 47 -5.737 3.671 3.368 1.00 0.00 O ATOM 650 CB VAL A 47 -6.703 0.493 4.486 1.00 0.00 C ATOM 651 CG1 VAL A 47 -5.560 0.129 3.550 1.00 0.00 C ATOM 652 CG2 VAL A 47 -6.455 -0.025 5.914 1.00 0.00 C ATOM 0 H VAL A 47 -8.995 1.186 4.729 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.515 2.471 5.353 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.577 -0.009 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.390 -0.947 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.816 0.423 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.655 0.650 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.224 -1.090 5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.617 0.514 6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.348 0.133 6.519 1.00 0.00 H new ATOM 662 N CYS A 48 -7.063 2.402 2.124 1.00 0.00 N ATOM 663 CA CYS A 48 -6.748 3.007 0.783 1.00 0.00 C ATOM 664 C CYS A 48 -6.593 4.520 0.867 1.00 0.00 C ATOM 665 O CYS A 48 -5.617 5.077 0.413 1.00 0.00 O ATOM 666 CB CYS A 48 -7.882 2.651 -0.200 1.00 0.00 C ATOM 667 SG CYS A 48 -7.380 2.268 -1.894 1.00 0.00 S ATOM 0 H CYS A 48 -7.741 1.643 2.062 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.798 2.601 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.424 1.794 0.199 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.583 3.485 -0.231 1.00 0.00 H new ATOM 672 N ASN A 49 -7.577 5.150 1.450 1.00 0.00 N ATOM 673 CA ASN A 49 -7.531 6.633 1.597 1.00 0.00 C ATOM 674 C ASN A 49 -6.405 7.008 2.568 1.00 0.00 C ATOM 675 O ASN A 49 -5.617 7.873 2.256 1.00 0.00 O ATOM 676 CB ASN A 49 -8.887 7.097 2.111 1.00 0.00 C ATOM 677 CG ASN A 49 -9.889 6.944 0.982 1.00 0.00 C ATOM 678 OD1 ASN A 49 -9.684 7.346 -0.144 1.00 0.00 O ATOM 679 ND2 ASN A 49 -11.014 6.366 1.220 1.00 0.00 N ATOM 0 H ASN A 49 -8.410 4.702 1.831 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.326 7.120 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.191 6.505 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.836 8.135 2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.700 6.258 0.473 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.220 6.016 2.156 1.00 0.00 H new ATOM 686 N CYS A 50 -6.338 6.379 3.708 1.00 0.00 N ATOM 687 CA CYS A 50 -5.237 6.721 4.671 1.00 0.00 C ATOM 688 C CYS A 50 -3.846 6.561 3.984 1.00 0.00 C ATOM 689 O CYS A 50 -2.981 7.411 4.055 1.00 0.00 O ATOM 690 CB CYS A 50 -5.436 5.790 5.835 1.00 0.00 C ATOM 691 SG CYS A 50 -7.109 5.830 6.524 1.00 0.00 S ATOM 0 H CYS A 50 -6.984 5.653 4.018 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.266 7.758 5.007 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.208 4.772 5.518 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.724 6.046 6.619 1.00 0.00 H new ATOM 696 N LEU A 51 -3.664 5.455 3.317 1.00 0.00 N ATOM 697 CA LEU A 51 -2.398 5.113 2.582 1.00 0.00 C ATOM 698 C LEU A 51 -2.211 6.168 1.470 1.00 0.00 C ATOM 699 O LEU A 51 -1.151 6.740 1.307 1.00 0.00 O ATOM 700 CB LEU A 51 -2.612 3.648 2.070 1.00 0.00 C ATOM 701 CG LEU A 51 -1.960 3.169 0.705 1.00 0.00 C ATOM 702 CD1 LEU A 51 -2.654 1.856 0.304 1.00 0.00 C ATOM 703 CD2 LEU A 51 -2.155 4.078 -0.514 1.00 0.00 C ATOM 0 H LEU A 51 -4.379 4.731 3.245 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.485 5.139 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.252 2.978 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.687 3.490 1.986 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.892 3.124 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.232 1.493 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.500 1.110 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.722 2.033 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.661 3.637 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.220 4.187 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.723 5.058 -0.310 1.00 0.00 H new ATOM 715 N LYS A 52 -3.255 6.399 0.704 1.00 0.00 N ATOM 716 CA LYS A 52 -3.200 7.410 -0.398 1.00 0.00 C ATOM 717 C LYS A 52 -2.623 8.660 0.268 1.00 0.00 C ATOM 718 O LYS A 52 -1.595 9.179 -0.137 1.00 0.00 O ATOM 719 CB LYS A 52 -4.641 7.622 -0.919 1.00 0.00 C ATOM 720 CG LYS A 52 -4.693 8.803 -1.933 1.00 0.00 C ATOM 721 CD LYS A 52 -5.046 8.330 -3.379 1.00 0.00 C ATOM 722 CE LYS A 52 -6.493 7.829 -3.547 1.00 0.00 C ATOM 723 NZ LYS A 52 -6.750 7.647 -5.031 1.00 0.00 N ATOM 0 H LYS A 52 -4.152 5.923 0.799 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.592 7.123 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.998 6.710 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.309 7.825 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.433 9.531 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.729 9.311 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.877 9.156 -4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.362 7.531 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.636 6.888 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.197 8.544 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.479 8.320 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.871 7.820 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.076 6.676 -5.210 1.00 0.00 H new ATOM 737 N GLY A 53 -3.316 9.089 1.294 1.00 0.00 N ATOM 738 CA GLY A 53 -2.865 10.296 2.045 1.00 0.00 C ATOM 739 C GLY A 53 -1.355 10.221 2.277 1.00 0.00 C ATOM 740 O GLY A 53 -0.665 11.145 1.906 1.00 0.00 O ATOM 0 H GLY A 53 -4.172 8.656 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.113 11.198 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.387 10.359 3.000 1.00 0.00 H new ATOM 744 N ILE A 54 -0.847 9.159 2.860 1.00 0.00 N ATOM 745 CA ILE A 54 0.644 9.150 3.058 1.00 0.00 C ATOM 746 C ILE A 54 1.374 9.153 1.698 1.00 0.00 C ATOM 747 O ILE A 54 2.269 9.956 1.582 1.00 0.00 O ATOM 748 CB ILE A 54 1.193 7.893 3.855 1.00 0.00 C ATOM 749 CG1 ILE A 54 0.092 6.935 4.226 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.808 8.479 5.152 1.00 0.00 C ATOM 751 CD1 ILE A 54 0.536 5.675 5.004 1.00 0.00 C ATOM 0 H ILE A 54 -1.361 8.342 3.191 1.00 0.00 H new ATOM 0 HA ILE A 54 0.841 10.049 3.643 1.00 0.00 H new ATOM 0 HB ILE A 54 1.905 7.334 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.644 7.470 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.412 6.618 3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.211 7.670 5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.608 9.173 4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.037 9.007 5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.334 5.055 5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.246 5.107 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.010 5.973 5.939 1.00 0.00 H new ATOM 763 N ALA A 55 1.051 8.337 0.707 1.00 0.00 N ATOM 764 CA ALA A 55 1.790 8.364 -0.618 1.00 0.00 C ATOM 765 C ALA A 55 1.889 9.802 -1.129 1.00 0.00 C ATOM 766 O ALA A 55 2.823 10.218 -1.788 1.00 0.00 O ATOM 767 CB ALA A 55 1.047 7.459 -1.625 1.00 0.00 C ATOM 0 H ALA A 55 0.301 7.647 0.758 1.00 0.00 H new ATOM 0 HA ALA A 55 2.804 7.986 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.571 7.472 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.015 6.439 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.030 7.827 -1.763 1.00 0.00 H new ATOM 773 N ARG A 56 0.860 10.518 -0.792 1.00 0.00 N ATOM 774 CA ARG A 56 0.767 11.942 -1.174 1.00 0.00 C ATOM 775 C ARG A 56 1.537 12.791 -0.169 1.00 0.00 C ATOM 776 O ARG A 56 2.098 13.797 -0.545 1.00 0.00 O ATOM 777 CB ARG A 56 -0.690 12.289 -1.201 1.00 0.00 C ATOM 778 CG ARG A 56 -1.320 11.497 -2.338 1.00 0.00 C ATOM 779 CD ARG A 56 -2.146 12.491 -3.150 1.00 0.00 C ATOM 780 NE ARG A 56 -1.161 13.416 -3.847 1.00 0.00 N ATOM 781 CZ ARG A 56 -1.239 13.728 -5.085 1.00 0.00 C ATOM 782 NH1 ARG A 56 -0.793 12.936 -5.981 1.00 0.00 N ATOM 783 NH2 ARG A 56 -1.771 14.854 -5.344 1.00 0.00 N ATOM 0 H ARG A 56 0.065 10.167 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 56 1.207 12.133 -2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.162 12.040 -0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.828 13.359 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.554 11.031 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.948 10.695 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.770 11.972 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.816 13.057 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.397 13.809 -3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.371 12.047 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.859 13.192 -6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.105 15.447 -4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.864 15.164 -6.311 1.00 0.00 H new ATOM 797 N GLY A 57 1.561 12.385 1.068 1.00 0.00 N ATOM 798 CA GLY A 57 2.305 13.156 2.128 1.00 0.00 C ATOM 799 C GLY A 57 3.791 12.754 2.181 1.00 0.00 C ATOM 800 O GLY A 57 4.366 12.532 3.226 1.00 0.00 O ATOM 0 H GLY A 57 1.094 11.543 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.223 14.224 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.844 12.978 3.100 1.00 0.00 H new ATOM 804 N ILE A 58 4.349 12.675 1.006 1.00 0.00 N ATOM 805 CA ILE A 58 5.794 12.315 0.768 1.00 0.00 C ATOM 806 C ILE A 58 6.324 13.348 -0.251 1.00 0.00 C ATOM 807 O ILE A 58 5.675 14.344 -0.485 1.00 0.00 O ATOM 808 CB ILE A 58 5.962 10.890 0.143 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.878 10.006 0.736 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.289 10.329 0.636 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.921 8.497 0.427 1.00 0.00 C ATOM 0 H ILE A 58 3.836 12.855 0.143 1.00 0.00 H new ATOM 0 HA ILE A 58 6.329 12.318 1.718 1.00 0.00 H new ATOM 0 HB ILE A 58 5.913 10.929 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.906 10.125 1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.915 10.388 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.440 9.333 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.101 10.983 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.277 10.269 1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.084 8.001 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.851 8.344 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.858 8.077 0.793 1.00 0.00 H new ATOM 823 N HIS A 59 7.467 13.103 -0.835 1.00 0.00 N ATOM 824 CA HIS A 59 8.014 14.075 -1.830 1.00 0.00 C ATOM 825 C HIS A 59 7.657 13.607 -3.265 1.00 0.00 C ATOM 826 O HIS A 59 6.635 13.993 -3.797 1.00 0.00 O ATOM 827 CB HIS A 59 9.525 14.129 -1.564 1.00 0.00 C ATOM 828 CG HIS A 59 10.101 15.286 -2.363 1.00 0.00 C ATOM 829 ND1 HIS A 59 9.859 16.523 -2.111 1.00 0.00 N ATOM 830 CD2 HIS A 59 10.940 15.311 -3.457 1.00 0.00 C ATOM 831 CE1 HIS A 59 10.482 17.273 -2.967 1.00 0.00 C ATOM 832 NE2 HIS A 59 11.168 16.556 -3.822 1.00 0.00 N ATOM 0 H HIS A 59 8.043 12.278 -0.669 1.00 0.00 H new ATOM 0 HA HIS A 59 7.591 15.075 -1.736 1.00 0.00 H new ATOM 0 HB2 HIS A 59 9.720 14.266 -0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 59 9.997 13.191 -1.857 1.00 0.00 H new ATOM 0 HD2 HIS A 59 11.350 14.438 -3.943 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.440 18.352 -2.974 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.747 16.886 -4.594 1.00 0.00 H new ATOM 840 N ASN A 60 8.486 12.782 -3.848 1.00 0.00 N ATOM 841 CA ASN A 60 8.203 12.285 -5.229 1.00 0.00 C ATOM 842 C ASN A 60 8.172 10.739 -5.254 1.00 0.00 C ATOM 843 O ASN A 60 9.058 10.116 -5.804 1.00 0.00 O ATOM 844 CB ASN A 60 9.306 12.883 -6.166 1.00 0.00 C ATOM 845 CG ASN A 60 8.946 12.692 -7.642 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.073 13.578 -8.452 1.00 0.00 O ATOM 847 ND2 ASN A 60 8.493 11.570 -8.097 1.00 0.00 N ATOM 0 H ASN A 60 9.347 12.430 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 60 7.221 12.606 -5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.429 13.945 -5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.262 12.403 -5.958 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.267 11.475 -9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.362 10.780 -7.466 1.00 0.00 H new ATOM 854 N LEU A 61 7.154 10.186 -4.636 1.00 0.00 N ATOM 855 CA LEU A 61 6.951 8.689 -4.566 1.00 0.00 C ATOM 856 C LEU A 61 7.496 8.014 -5.849 1.00 0.00 C ATOM 857 O LEU A 61 7.226 8.491 -6.937 1.00 0.00 O ATOM 858 CB LEU A 61 5.401 8.515 -4.330 1.00 0.00 C ATOM 859 CG LEU A 61 4.722 7.189 -4.790 1.00 0.00 C ATOM 860 CD1 LEU A 61 4.489 7.176 -6.290 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.473 5.932 -4.359 1.00 0.00 C ATOM 0 H LEU A 61 6.429 10.723 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 61 7.501 8.198 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.213 8.630 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.895 9.339 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 61 3.759 7.166 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.014 6.237 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.842 8.009 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.444 7.272 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.941 5.050 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.477 5.945 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.538 5.902 -3.271 1.00 0.00 H new ATOM 873 N ASN A 62 8.244 6.953 -5.737 1.00 0.00 N ATOM 874 CA ASN A 62 8.780 6.296 -6.963 1.00 0.00 C ATOM 875 C ASN A 62 8.108 4.939 -7.307 1.00 0.00 C ATOM 876 O ASN A 62 8.544 3.910 -6.823 1.00 0.00 O ATOM 877 CB ASN A 62 10.285 6.155 -6.712 1.00 0.00 C ATOM 878 CG ASN A 62 10.918 5.695 -8.001 1.00 0.00 C ATOM 879 OD1 ASN A 62 11.650 6.398 -8.657 1.00 0.00 O ATOM 880 ND2 ASN A 62 10.668 4.511 -8.445 1.00 0.00 N ATOM 0 H ASN A 62 8.507 6.513 -4.855 1.00 0.00 H new ATOM 0 HA ASN A 62 8.561 6.900 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.711 7.106 -6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.475 5.437 -5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.083 4.197 -9.322 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.055 3.888 -7.919 1.00 0.00 H new ATOM 887 N LEU A 63 7.086 5.001 -8.135 1.00 0.00 N ATOM 888 CA LEU A 63 6.285 3.810 -8.606 1.00 0.00 C ATOM 889 C LEU A 63 6.948 2.427 -8.452 1.00 0.00 C ATOM 890 O LEU A 63 6.382 1.493 -7.917 1.00 0.00 O ATOM 891 CB LEU A 63 5.877 4.058 -10.119 1.00 0.00 C ATOM 892 CG LEU A 63 7.025 4.037 -11.175 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.377 4.159 -12.565 1.00 0.00 C ATOM 894 CD2 LEU A 63 7.966 5.241 -11.026 1.00 0.00 C ATOM 0 H LEU A 63 6.755 5.882 -8.527 1.00 0.00 H new ATOM 0 HA LEU A 63 5.423 3.752 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.144 3.302 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.377 5.025 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 63 7.595 3.118 -11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.153 4.148 -13.330 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.698 3.322 -12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.821 5.094 -12.626 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.750 5.186 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.400 6.163 -11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.417 5.230 -10.034 1.00 0.00 H new ATOM 906 N ASN A 64 8.153 2.326 -8.942 1.00 0.00 N ATOM 907 CA ASN A 64 8.928 1.040 -8.854 1.00 0.00 C ATOM 908 C ASN A 64 8.748 0.381 -7.465 1.00 0.00 C ATOM 909 O ASN A 64 8.323 -0.752 -7.337 1.00 0.00 O ATOM 910 CB ASN A 64 10.394 1.390 -9.119 1.00 0.00 C ATOM 911 CG ASN A 64 11.344 0.210 -8.985 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.052 -0.858 -8.496 1.00 0.00 O ATOM 913 ND2 ASN A 64 12.539 0.385 -9.419 1.00 0.00 N ATOM 0 H ASN A 64 8.647 3.087 -9.408 1.00 0.00 H new ATOM 0 HA ASN A 64 8.569 0.316 -9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.483 1.803 -10.124 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.702 2.172 -8.425 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.223 -0.369 -9.348 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.805 1.278 -9.835 1.00 0.00 H new ATOM 920 N ASN A 65 9.046 1.143 -6.445 1.00 0.00 N ATOM 921 CA ASN A 65 8.913 0.581 -5.064 1.00 0.00 C ATOM 922 C ASN A 65 7.471 0.170 -4.810 1.00 0.00 C ATOM 923 O ASN A 65 7.205 -0.931 -4.363 1.00 0.00 O ATOM 924 CB ASN A 65 9.310 1.624 -4.077 1.00 0.00 C ATOM 925 CG ASN A 65 10.805 1.842 -4.079 1.00 0.00 C ATOM 926 OD1 ASN A 65 11.628 0.959 -4.208 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.224 3.054 -3.922 1.00 0.00 N ATOM 0 H ASN A 65 9.369 2.109 -6.502 1.00 0.00 H new ATOM 0 HA ASN A 65 9.556 -0.293 -4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.804 2.560 -4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.985 1.326 -3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.225 3.250 -3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.554 3.815 -3.811 1.00 0.00 H new ATOM 934 N ALA A 66 6.602 1.092 -5.123 1.00 0.00 N ATOM 935 CA ALA A 66 5.141 0.840 -4.930 1.00 0.00 C ATOM 936 C ALA A 66 4.676 -0.484 -5.604 1.00 0.00 C ATOM 937 O ALA A 66 3.919 -1.232 -5.016 1.00 0.00 O ATOM 938 CB ALA A 66 4.411 2.084 -5.484 1.00 0.00 C ATOM 0 H ALA A 66 6.838 2.008 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 66 4.905 0.699 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.335 1.956 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.732 2.969 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.651 2.206 -6.540 1.00 0.00 H new ATOM 944 N ALA A 67 5.121 -0.749 -6.807 1.00 0.00 N ATOM 945 CA ALA A 67 4.706 -2.027 -7.503 1.00 0.00 C ATOM 946 C ALA A 67 5.534 -3.222 -6.980 1.00 0.00 C ATOM 947 O ALA A 67 5.116 -4.366 -6.885 1.00 0.00 O ATOM 948 CB ALA A 67 4.933 -1.850 -9.001 1.00 0.00 C ATOM 0 H ALA A 67 5.748 -0.148 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 67 3.655 -2.232 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.640 -2.761 -9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.334 -1.015 -9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.988 -1.648 -9.188 1.00 0.00 H new ATOM 954 N SER A 68 6.741 -2.888 -6.628 1.00 0.00 N ATOM 955 CA SER A 68 7.668 -3.897 -6.114 1.00 0.00 C ATOM 956 C SER A 68 7.006 -4.496 -4.899 1.00 0.00 C ATOM 957 O SER A 68 6.996 -5.701 -4.791 1.00 0.00 O ATOM 958 CB SER A 68 8.990 -3.191 -5.802 1.00 0.00 C ATOM 959 OG SER A 68 9.620 -4.013 -4.828 1.00 0.00 O ATOM 0 H SER A 68 7.119 -1.942 -6.680 1.00 0.00 H new ATOM 0 HA SER A 68 7.891 -4.700 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.607 -3.093 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.820 -2.184 -5.420 1.00 0.00 H new ATOM 0 HG SER A 68 9.667 -3.533 -3.975 1.00 0.00 H new ATOM 965 N ILE A 69 6.443 -3.715 -4.014 1.00 0.00 N ATOM 966 CA ILE A 69 5.833 -4.428 -2.863 1.00 0.00 C ATOM 967 C ILE A 69 4.829 -5.576 -3.213 1.00 0.00 C ATOM 968 O ILE A 69 5.108 -6.718 -2.870 1.00 0.00 O ATOM 969 CB ILE A 69 5.111 -3.443 -1.925 1.00 0.00 C ATOM 970 CG1 ILE A 69 5.971 -2.268 -1.497 1.00 0.00 C ATOM 971 CG2 ILE A 69 4.703 -4.235 -0.690 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.129 -2.743 -0.539 1.00 0.00 C ATOM 0 H ILE A 69 6.381 -2.697 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 69 6.691 -4.901 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 69 4.262 -3.017 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.396 -1.783 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.355 -1.526 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.185 -3.578 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.040 -5.049 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.592 -4.646 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.733 -1.885 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.699 -3.206 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.757 -3.467 -1.058 1.00 0.00 H new ATOM 984 N PRO A 70 3.701 -5.317 -3.866 1.00 0.00 N ATOM 985 CA PRO A 70 2.814 -6.393 -4.369 1.00 0.00 C ATOM 986 C PRO A 70 3.574 -7.492 -5.098 1.00 0.00 C ATOM 987 O PRO A 70 3.140 -8.626 -5.016 1.00 0.00 O ATOM 988 CB PRO A 70 1.753 -5.659 -5.240 1.00 0.00 C ATOM 989 CG PRO A 70 2.376 -4.297 -5.525 1.00 0.00 C ATOM 990 CD PRO A 70 3.126 -3.996 -4.229 1.00 0.00 C ATOM 0 HA PRO A 70 2.333 -6.943 -3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.549 -6.204 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.805 -5.560 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.047 -4.330 -6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.620 -3.542 -5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.901 -3.244 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.459 -3.619 -3.454 1.00 0.00 H new ATOM 998 N SER A 71 4.648 -7.141 -5.772 1.00 0.00 N ATOM 999 CA SER A 71 5.432 -8.198 -6.493 1.00 0.00 C ATOM 1000 C SER A 71 6.152 -9.086 -5.478 1.00 0.00 C ATOM 1001 O SER A 71 5.925 -10.276 -5.423 1.00 0.00 O ATOM 1002 CB SER A 71 6.482 -7.531 -7.437 1.00 0.00 C ATOM 1003 OG SER A 71 7.627 -8.405 -7.447 1.00 0.00 O ATOM 0 H SER A 71 5.009 -6.190 -5.853 1.00 0.00 H new ATOM 0 HA SER A 71 4.748 -8.804 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.078 -7.407 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.753 -6.538 -7.078 1.00 0.00 H new ATOM 0 HG SER A 71 8.083 -8.336 -8.312 1.00 0.00 H new ATOM 1009 N LYS A 72 6.985 -8.453 -4.691 1.00 0.00 N ATOM 1010 CA LYS A 72 7.785 -9.165 -3.651 1.00 0.00 C ATOM 1011 C LYS A 72 6.939 -10.154 -2.901 1.00 0.00 C ATOM 1012 O LYS A 72 7.363 -11.287 -2.780 1.00 0.00 O ATOM 1013 CB LYS A 72 8.402 -8.155 -2.659 1.00 0.00 C ATOM 1014 CG LYS A 72 9.841 -7.770 -3.113 1.00 0.00 C ATOM 1015 CD LYS A 72 9.837 -6.578 -4.086 1.00 0.00 C ATOM 1016 CE LYS A 72 9.444 -6.767 -5.565 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.107 -7.904 -6.238 1.00 0.00 N ATOM 0 H LYS A 72 7.147 -7.447 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 72 8.584 -9.705 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.779 -7.262 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.431 -8.587 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.443 -7.523 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.312 -8.628 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.165 -5.827 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.840 -6.151 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.365 -6.905 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.679 -5.852 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.395 -8.476 -6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.803 -7.545 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.590 -8.493 -5.530 1.00 0.00 H new ATOM 1031 N CYS A 73 5.801 -9.727 -2.418 1.00 0.00 N ATOM 1032 CA CYS A 73 4.961 -10.753 -1.679 1.00 0.00 C ATOM 1033 C CYS A 73 3.859 -11.384 -2.530 1.00 0.00 C ATOM 1034 O CYS A 73 3.114 -12.189 -1.994 1.00 0.00 O ATOM 1035 CB CYS A 73 4.280 -10.141 -0.429 1.00 0.00 C ATOM 1036 SG CYS A 73 5.341 -10.060 1.036 1.00 0.00 S ATOM 0 H CYS A 73 5.424 -8.782 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 73 5.676 -11.528 -1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.939 -9.135 -0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.394 -10.728 -0.189 1.00 0.00 H new ATOM 1041 N ASN A 74 3.806 -11.024 -3.790 1.00 0.00 N ATOM 1042 CA ASN A 74 2.771 -11.571 -4.720 1.00 0.00 C ATOM 1043 C ASN A 74 1.333 -11.386 -4.207 1.00 0.00 C ATOM 1044 O ASN A 74 0.559 -12.305 -4.016 1.00 0.00 O ATOM 1045 CB ASN A 74 3.123 -13.073 -4.955 1.00 0.00 C ATOM 1046 CG ASN A 74 3.352 -13.299 -6.434 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.017 -12.550 -7.109 1.00 0.00 O ATOM 1048 ND2 ASN A 74 2.830 -14.327 -7.009 1.00 0.00 N ATOM 0 H ASN A 74 4.450 -10.361 -4.220 1.00 0.00 H new ATOM 0 HA ASN A 74 2.791 -11.016 -5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.015 -13.344 -4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.314 -13.710 -4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.984 -14.488 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.263 -14.980 -6.469 1.00 0.00 H new ATOM 1055 N VAL A 75 1.024 -10.133 -4.017 1.00 0.00 N ATOM 1056 CA VAL A 75 -0.343 -9.782 -3.518 1.00 0.00 C ATOM 1057 C VAL A 75 -1.275 -9.538 -4.724 1.00 0.00 C ATOM 1058 O VAL A 75 -2.376 -9.061 -4.556 1.00 0.00 O ATOM 1059 CB VAL A 75 -0.310 -8.484 -2.661 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -1.444 -8.560 -1.650 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.919 -8.300 -1.824 1.00 0.00 C ATOM 0 H VAL A 75 1.648 -9.343 -4.182 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.703 -10.607 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.367 -7.668 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.444 -7.660 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.395 -8.640 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.306 -9.434 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.843 -7.367 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.013 -9.133 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.797 -8.267 -2.469 1.00 0.00 H new ATOM 1071 N ASN A 76 -0.817 -9.890 -5.903 1.00 0.00 N ATOM 1072 CA ASN A 76 -1.595 -9.723 -7.189 1.00 0.00 C ATOM 1073 C ASN A 76 -2.774 -8.702 -7.143 1.00 0.00 C ATOM 1074 O ASN A 76 -3.913 -9.066 -7.357 1.00 0.00 O ATOM 1075 CB ASN A 76 -2.069 -11.170 -7.556 1.00 0.00 C ATOM 1076 CG ASN A 76 -2.888 -11.875 -6.453 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -2.998 -13.079 -6.448 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -3.500 -11.241 -5.503 1.00 0.00 N ATOM 0 H ASN A 76 0.105 -10.305 -6.038 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.955 -9.276 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.671 -11.122 -8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.194 -11.778 -7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.036 -11.759 -4.807 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.446 -10.224 -5.452 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.454 -7.455 -6.868 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.533 -6.403 -6.788 1.00 0.00 C ATOM 1087 C VAL A 77 -3.329 -4.994 -7.478 1.00 0.00 C ATOM 1088 O VAL A 77 -2.253 -4.420 -7.430 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.779 -6.298 -5.268 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.614 -5.572 -4.529 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.112 -5.666 -4.960 1.00 0.00 C ATOM 0 H VAL A 77 -1.506 -7.120 -6.697 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.376 -6.725 -7.399 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.807 -7.318 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.834 -5.523 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.686 -6.123 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.506 -4.562 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.247 -5.610 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.145 -4.662 -5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.909 -6.268 -5.395 1.00 0.00 H new ATOM 1101 N PRO A 78 -4.373 -4.465 -8.105 1.00 0.00 N ATOM 1102 CA PRO A 78 -4.360 -3.092 -8.710 1.00 0.00 C ATOM 1103 C PRO A 78 -3.983 -1.942 -7.765 1.00 0.00 C ATOM 1104 O PRO A 78 -3.505 -0.915 -8.209 1.00 0.00 O ATOM 1105 CB PRO A 78 -5.767 -2.923 -9.297 1.00 0.00 C ATOM 1106 CG PRO A 78 -6.612 -3.847 -8.408 1.00 0.00 C ATOM 1107 CD PRO A 78 -5.725 -5.090 -8.318 1.00 0.00 C ATOM 0 HA PRO A 78 -3.565 -3.027 -9.453 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.107 -1.889 -9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.808 -3.220 -10.345 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.803 -3.409 -7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.582 -4.068 -8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.012 -5.742 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.763 -5.690 -9.227 1.00 0.00 H new ATOM 1115 N TYR A 79 -4.202 -2.112 -6.485 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.842 -0.994 -5.563 1.00 0.00 C ATOM 1117 C TYR A 79 -2.475 -1.201 -4.926 1.00 0.00 C ATOM 1118 O TYR A 79 -2.151 -2.246 -4.406 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.940 -0.878 -4.495 1.00 0.00 C ATOM 1120 CG TYR A 79 -5.177 -2.107 -3.620 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.281 -2.549 -2.662 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -6.369 -2.769 -3.776 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.598 -3.643 -1.876 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -6.678 -3.851 -2.993 1.00 0.00 C ATOM 1125 CZ TYR A 79 -5.792 -4.286 -2.042 1.00 0.00 C ATOM 1126 OH TYR A 79 -6.114 -5.350 -1.246 1.00 0.00 O ATOM 0 H TYR A 79 -4.600 -2.945 -6.051 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.776 -0.067 -6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.694 -0.039 -3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.876 -0.630 -4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.337 -2.041 -2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.072 -2.434 -4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.899 -3.990 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.621 -4.361 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.584 -5.031 -0.448 1.00 0.00 H new ATOM 1136 N THR A 80 -1.683 -0.176 -5.000 1.00 0.00 N ATOM 1137 CA THR A 80 -0.314 -0.260 -4.408 1.00 0.00 C ATOM 1138 C THR A 80 -0.081 1.122 -3.836 1.00 0.00 C ATOM 1139 O THR A 80 -0.647 2.075 -4.330 1.00 0.00 O ATOM 1140 CB THR A 80 0.754 -0.609 -5.513 1.00 0.00 C ATOM 1141 OG1 THR A 80 1.019 0.567 -6.262 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.180 -1.501 -6.612 1.00 0.00 C ATOM 0 H THR A 80 -1.916 0.714 -5.440 1.00 0.00 H new ATOM 0 HA THR A 80 -0.225 -1.043 -3.655 1.00 0.00 H new ATOM 0 HB THR A 80 1.593 -1.060 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.684 0.371 -6.955 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.954 -1.713 -7.349 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.172 -2.436 -6.175 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.653 -0.991 -7.097 1.00 0.00 H new ATOM 1150 N ILE A 81 0.719 1.191 -2.812 1.00 0.00 N ATOM 1151 CA ILE A 81 1.087 2.458 -2.089 1.00 0.00 C ATOM 1152 C ILE A 81 1.351 3.761 -2.921 1.00 0.00 C ATOM 1153 O ILE A 81 2.436 4.313 -2.986 1.00 0.00 O ATOM 1154 CB ILE A 81 2.291 2.018 -1.191 1.00 0.00 C ATOM 1155 CG1 ILE A 81 2.867 3.140 -0.321 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.416 1.426 -2.028 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.762 3.707 0.609 1.00 0.00 C ATOM 0 H ILE A 81 1.167 0.365 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 81 0.219 2.824 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 81 1.874 1.266 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.697 2.760 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.265 3.934 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.238 1.130 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.048 0.553 -2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.769 2.171 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.178 4.504 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.946 4.104 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.384 2.912 1.252 1.00 0.00 H new ATOM 1169 N SER A 82 0.284 4.188 -3.540 1.00 0.00 N ATOM 1170 CA SER A 82 0.258 5.419 -4.395 1.00 0.00 C ATOM 1171 C SER A 82 -0.903 6.400 -4.083 1.00 0.00 C ATOM 1172 O SER A 82 -1.844 6.048 -3.398 1.00 0.00 O ATOM 1173 CB SER A 82 0.182 4.965 -5.866 1.00 0.00 C ATOM 1174 OG SER A 82 1.365 5.562 -6.399 1.00 0.00 O ATOM 0 H SER A 82 -0.616 3.711 -3.486 1.00 0.00 H new ATOM 0 HA SER A 82 1.167 5.982 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.189 3.879 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.720 5.324 -6.362 1.00 0.00 H new ATOM 0 HG SER A 82 1.441 5.344 -7.352 1.00 0.00 H new ATOM 1180 N PRO A 83 -0.818 7.616 -4.576 1.00 0.00 N ATOM 1181 CA PRO A 83 -1.993 8.416 -5.067 1.00 0.00 C ATOM 1182 C PRO A 83 -2.969 7.862 -6.172 1.00 0.00 C ATOM 1183 O PRO A 83 -4.180 7.947 -6.039 1.00 0.00 O ATOM 1184 CB PRO A 83 -1.332 9.765 -5.486 1.00 0.00 C ATOM 1185 CG PRO A 83 0.126 9.352 -5.823 1.00 0.00 C ATOM 1186 CD PRO A 83 0.462 8.377 -4.700 1.00 0.00 C ATOM 0 HA PRO A 83 -2.726 8.439 -4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.834 10.210 -6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.367 10.499 -4.681 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.198 8.882 -6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.799 10.209 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.301 7.730 -4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.725 8.891 -3.775 1.00 0.00 H new ATOM 1194 N ASP A 84 -2.462 7.294 -7.235 1.00 0.00 N ATOM 1195 CA ASP A 84 -3.385 6.782 -8.304 1.00 0.00 C ATOM 1196 C ASP A 84 -3.945 5.333 -8.136 1.00 0.00 C ATOM 1197 O ASP A 84 -3.754 4.429 -8.925 1.00 0.00 O ATOM 1198 CB ASP A 84 -2.589 6.967 -9.629 1.00 0.00 C ATOM 1199 CG ASP A 84 -3.514 7.004 -10.860 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -4.704 7.205 -10.684 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -2.962 6.838 -11.930 1.00 0.00 O ATOM 0 H ASP A 84 -1.466 7.161 -7.413 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.315 7.349 -8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.014 7.892 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.873 6.152 -9.738 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.642 5.158 -7.044 1.00 0.00 N ATOM 1207 CA ILE A 85 -5.276 3.830 -6.715 1.00 0.00 C ATOM 1208 C ILE A 85 -6.782 3.808 -7.099 1.00 0.00 C ATOM 1209 O ILE A 85 -7.445 4.827 -7.030 1.00 0.00 O ATOM 1210 CB ILE A 85 -5.065 3.603 -5.211 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.574 3.407 -4.981 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -5.757 2.319 -4.746 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -3.290 3.356 -3.477 1.00 0.00 C ATOM 0 H ILE A 85 -4.806 5.887 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.816 3.026 -7.290 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.471 4.455 -4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.240 2.484 -5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.014 4.222 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.591 2.183 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.827 2.391 -4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.346 1.467 -5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.222 3.216 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.608 4.290 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.838 2.526 -3.031 1.00 0.00 H new ATOM 1225 N ASP A 86 -7.269 2.642 -7.456 1.00 0.00 N ATOM 1226 CA ASP A 86 -8.704 2.442 -7.871 1.00 0.00 C ATOM 1227 C ASP A 86 -9.632 2.010 -6.675 1.00 0.00 C ATOM 1228 O ASP A 86 -10.646 1.345 -6.826 1.00 0.00 O ATOM 1229 CB ASP A 86 -8.525 1.415 -9.037 1.00 0.00 C ATOM 1230 CG ASP A 86 -9.727 1.137 -9.923 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -10.296 2.090 -10.429 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -10.024 -0.039 -10.086 1.00 0.00 O ATOM 0 H ASP A 86 -6.712 1.787 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.238 3.335 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.714 1.768 -9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.202 0.469 -8.604 1.00 0.00 H new ATOM 1237 N CYS A 87 -9.196 2.468 -5.520 1.00 0.00 N ATOM 1238 CA CYS A 87 -9.832 2.255 -4.172 1.00 0.00 C ATOM 1239 C CYS A 87 -11.339 1.935 -4.128 1.00 0.00 C ATOM 1240 O CYS A 87 -11.791 1.036 -3.441 1.00 0.00 O ATOM 1241 CB CYS A 87 -9.542 3.514 -3.352 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.814 3.897 -3.000 1.00 0.00 S ATOM 0 H CYS A 87 -8.348 3.031 -5.458 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.390 1.342 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.975 4.365 -3.877 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.068 3.425 -2.401 1.00 0.00 H new ATOM 1247 N SER A 88 -12.043 2.726 -4.886 1.00 0.00 N ATOM 1248 CA SER A 88 -13.531 2.630 -5.025 1.00 0.00 C ATOM 1249 C SER A 88 -14.089 1.281 -5.470 1.00 0.00 C ATOM 1250 O SER A 88 -15.045 0.796 -4.898 1.00 0.00 O ATOM 1251 CB SER A 88 -14.035 3.656 -6.043 1.00 0.00 C ATOM 1252 OG SER A 88 -14.629 4.696 -5.270 1.00 0.00 O ATOM 0 H SER A 88 -11.630 3.473 -5.444 1.00 0.00 H new ATOM 0 HA SER A 88 -13.883 2.806 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.217 4.038 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.760 3.210 -6.724 1.00 0.00 H new ATOM 0 HG SER A 88 -14.973 5.392 -5.868 1.00 0.00 H new ATOM 1258 N ARG A 89 -13.468 0.723 -6.472 1.00 0.00 N ATOM 1259 CA ARG A 89 -13.933 -0.590 -7.013 1.00 0.00 C ATOM 1260 C ARG A 89 -12.953 -1.732 -6.773 1.00 0.00 C ATOM 1261 O ARG A 89 -13.404 -2.790 -6.377 1.00 0.00 O ATOM 1262 CB ARG A 89 -14.236 -0.383 -8.543 1.00 0.00 C ATOM 1263 CG ARG A 89 -13.045 0.182 -9.359 1.00 0.00 C ATOM 1264 CD ARG A 89 -13.552 0.438 -10.832 1.00 0.00 C ATOM 1265 NE ARG A 89 -12.452 1.140 -11.583 1.00 0.00 N ATOM 1266 CZ ARG A 89 -12.012 0.796 -12.733 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -12.622 1.220 -13.763 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -10.986 0.055 -12.753 1.00 0.00 N ATOM 0 H ARG A 89 -12.655 1.120 -6.943 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.832 -0.898 -6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.536 -1.338 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.085 0.294 -8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.681 1.108 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.212 -0.521 -9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.805 -0.504 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.457 1.046 -10.824 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.025 1.953 -11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.441 1.819 -13.660 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.293 0.961 -14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.552 -0.238 -11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.594 -0.249 -13.644 1.00 0.00 H new