USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 670 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 47 ASN : amide:sc= -3.76 K(o=-4.5,f=-7.6!) USER MOD Set 1.2: A 50 ASN : amide:sc= -0.749 K(o=-4.5,f=-9.8!) USER MOD Set 2.1: A 40 GLN : amide:sc= -4.07! C(o=-4!,f=-12!) USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= -0.143 (180deg=-0.761) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.0625 (180deg=-0.627) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 179:sc= -0.843 (180deg=-0.873) USER MOD Single : A 44 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.8!) USER MOD Single : A 54 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0.247 K(o=0.25,f=-1.4!) USER MOD Single : A 65 CYS SG : rot -147:sc= 0.742 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= 0.447 F(o=-0.31,f=0.45) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.101 7.318 -3.827 1.00 0.00 N ATOM 58 CA LYS A 2 15.858 8.458 -3.324 1.00 0.00 C ATOM 59 C LYS A 2 17.344 8.125 -3.227 1.00 0.00 C ATOM 60 O LYS A 2 17.733 7.186 -2.534 1.00 0.00 O ATOM 61 CB LYS A 2 15.329 8.883 -1.953 1.00 0.00 C ATOM 62 CG LYS A 2 15.083 7.720 -1.008 1.00 0.00 C ATOM 63 CD LYS A 2 13.641 7.245 -1.072 1.00 0.00 C ATOM 64 CE LYS A 2 12.698 8.235 -0.406 1.00 0.00 C ATOM 65 NZ LYS A 2 11.287 8.032 -0.835 1.00 0.00 N ATOM 0 HA LYS A 2 15.734 9.283 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.042 9.568 -1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 2 14.398 9.434 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.750 6.896 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.323 8.021 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.348 7.106 -2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.555 6.274 -0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.767 8.130 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.008 9.251 -0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.676 8.726 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.216 8.157 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.982 7.071 -0.581 1.00 0.00 H new ATOM 79 N GLU A 3 18.167 8.901 -3.925 1.00 0.00 N ATOM 80 CA GLU A 3 19.609 8.687 -3.915 1.00 0.00 C ATOM 81 C GLU A 3 20.357 10.017 -3.943 1.00 0.00 C ATOM 82 O GLU A 3 19.891 10.990 -4.536 1.00 0.00 O ATOM 83 CB GLU A 3 20.028 7.829 -5.111 1.00 0.00 C ATOM 84 CG GLU A 3 19.808 8.508 -6.453 1.00 0.00 C ATOM 85 CD GLU A 3 19.647 7.516 -7.589 1.00 0.00 C ATOM 86 OE1 GLU A 3 18.629 6.793 -7.606 1.00 0.00 O ATOM 87 OE2 GLU A 3 20.540 7.463 -8.461 1.00 0.00 O ATOM 0 H GLU A 3 17.860 9.683 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 3 19.866 8.164 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.083 7.572 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.469 6.894 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.920 9.137 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.651 9.165 -6.666 1.00 0.00 H new ATOM 94 N ILE A 4 21.517 10.050 -3.296 1.00 0.00 N ATOM 95 CA ILE A 4 22.329 11.259 -3.246 1.00 0.00 C ATOM 96 C ILE A 4 23.573 11.122 -4.118 1.00 0.00 C ATOM 97 O ILE A 4 24.226 10.078 -4.127 1.00 0.00 O ATOM 98 CB ILE A 4 22.761 11.589 -1.805 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.312 13.014 -1.728 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.797 10.587 -1.320 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.779 13.114 -2.084 1.00 0.00 C ATOM 0 H ILE A 4 21.915 9.253 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 4 21.709 12.071 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 4 21.888 11.522 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.739 13.653 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.164 13.398 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.092 10.834 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.371 9.584 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.671 10.624 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.102 14.152 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.363 12.501 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.931 12.761 -3.104 1.00 0.00 H new ATOM 113 N ILE A 5 23.895 12.184 -4.850 1.00 0.00 N ATOM 114 CA ILE A 5 25.063 12.183 -5.723 1.00 0.00 C ATOM 115 C ILE A 5 25.881 13.458 -5.547 1.00 0.00 C ATOM 116 O ILE A 5 25.330 14.539 -5.334 1.00 0.00 O ATOM 117 CB ILE A 5 24.659 12.046 -7.202 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.501 11.056 -7.348 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.850 11.603 -8.038 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.053 10.856 -8.779 1.00 0.00 C ATOM 0 H ILE A 5 23.364 13.055 -4.856 1.00 0.00 H new ATOM 0 HA ILE A 5 25.669 11.323 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 5 24.328 13.019 -7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.801 10.094 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.656 11.409 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.548 11.511 -9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.648 12.341 -7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.209 10.639 -7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.230 10.142 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.721 11.808 -9.193 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.885 10.473 -9.371 1.00 0.00 H new ATOM 132 N LEU A 6 27.200 13.325 -5.640 1.00 0.00 N ATOM 133 CA LEU A 6 28.096 14.467 -5.493 1.00 0.00 C ATOM 134 C LEU A 6 28.903 14.693 -6.768 1.00 0.00 C ATOM 135 O LEU A 6 29.728 13.861 -7.147 1.00 0.00 O ATOM 136 CB LEU A 6 29.040 14.251 -4.310 1.00 0.00 C ATOM 137 CG LEU A 6 29.131 12.821 -3.776 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.468 12.591 -3.089 1.00 0.00 C ATOM 139 CD2 LEU A 6 27.982 12.534 -2.821 1.00 0.00 C ATOM 0 H LEU A 6 27.672 12.438 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 6 27.488 15.353 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 6 30.039 14.572 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.724 14.902 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 6 29.057 12.134 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.514 11.568 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.276 12.754 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.573 13.286 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.063 11.512 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.024 13.228 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.034 12.656 -3.345 1.00 0.00 H new ATOM 151 N TYR A 7 28.661 15.823 -7.423 1.00 0.00 N ATOM 152 CA TYR A 7 29.365 16.158 -8.655 1.00 0.00 C ATOM 153 C TYR A 7 30.471 17.176 -8.391 1.00 0.00 C ATOM 154 O TYR A 7 30.203 18.352 -8.141 1.00 0.00 O ATOM 155 CB TYR A 7 28.386 16.709 -9.693 1.00 0.00 C ATOM 156 CG TYR A 7 27.325 15.717 -10.111 1.00 0.00 C ATOM 157 CD1 TYR A 7 26.147 15.583 -9.387 1.00 0.00 C ATOM 158 CD2 TYR A 7 27.501 14.913 -11.231 1.00 0.00 C ATOM 159 CE1 TYR A 7 25.175 14.677 -9.765 1.00 0.00 C ATOM 160 CE2 TYR A 7 26.534 14.005 -11.617 1.00 0.00 C ATOM 161 CZ TYR A 7 25.373 13.891 -10.881 1.00 0.00 C ATOM 162 OH TYR A 7 24.408 12.987 -11.262 1.00 0.00 O ATOM 0 H TYR A 7 27.983 16.522 -7.121 1.00 0.00 H new ATOM 0 HA TYR A 7 29.820 15.247 -9.043 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.901 17.597 -9.288 1.00 0.00 H new ATOM 0 HB3 TYR A 7 28.944 17.025 -10.575 1.00 0.00 H new ATOM 0 HD1 TYR A 7 25.988 16.198 -8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 7 28.409 15.000 -11.809 1.00 0.00 H new ATOM 0 HE1 TYR A 7 24.265 14.585 -9.190 1.00 0.00 H new ATOM 0 HE2 TYR A 7 26.686 13.388 -12.490 1.00 0.00 H new ATOM 0 HH TYR A 7 23.525 13.319 -10.995 1.00 0.00 H new ATOM 172 N THR A 8 31.716 16.715 -8.448 1.00 0.00 N ATOM 173 CA THR A 8 32.864 17.583 -8.215 1.00 0.00 C ATOM 174 C THR A 8 34.173 16.827 -8.406 1.00 0.00 C ATOM 175 O THR A 8 34.173 15.642 -8.740 1.00 0.00 O ATOM 176 CB THR A 8 32.834 18.185 -6.797 1.00 0.00 C ATOM 177 OG1 THR A 8 31.846 17.519 -6.003 1.00 0.00 O ATOM 178 CG2 THR A 8 32.532 19.675 -6.848 1.00 0.00 C ATOM 0 H THR A 8 31.956 15.745 -8.654 1.00 0.00 H new ATOM 0 HA THR A 8 32.804 18.389 -8.946 1.00 0.00 H new ATOM 0 HB THR A 8 33.816 18.045 -6.346 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.834 17.906 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.516 20.078 -5.835 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.302 20.183 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.561 19.834 -7.317 1.00 0.00 H new ATOM 186 N ARG A 9 35.288 17.518 -8.191 1.00 0.00 N ATOM 187 CA ARG A 9 36.605 16.911 -8.341 1.00 0.00 C ATOM 188 C ARG A 9 37.036 16.223 -7.049 1.00 0.00 C ATOM 189 O ARG A 9 36.566 16.546 -5.958 1.00 0.00 O ATOM 190 CB ARG A 9 37.636 17.969 -8.736 1.00 0.00 C ATOM 191 CG ARG A 9 37.627 19.195 -7.837 1.00 0.00 C ATOM 192 CD ARG A 9 38.767 20.142 -8.175 1.00 0.00 C ATOM 193 NE ARG A 9 40.053 19.453 -8.230 1.00 0.00 N ATOM 194 CZ ARG A 9 41.165 20.009 -8.699 1.00 0.00 C ATOM 195 NH1 ARG A 9 41.147 21.256 -9.150 1.00 0.00 N ATOM 196 NH2 ARG A 9 42.297 19.318 -8.717 1.00 0.00 N ATOM 0 H ARG A 9 35.305 18.499 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 9 36.544 16.161 -9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.630 17.521 -8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.448 18.281 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.676 19.717 -7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.707 18.884 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.570 20.618 -9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 9 38.812 20.935 -7.429 1.00 0.00 H new ATOM 0 HE ARG A 9 40.100 18.493 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 9 40.278 21.790 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 9 42.002 21.681 -9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 9 42.315 18.359 -8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 9 43.150 19.746 -9.077 1.00 0.00 H new ATOM 210 N PRO A 10 37.951 15.250 -7.173 1.00 0.00 N ATOM 211 CA PRO A 10 38.465 14.496 -6.027 1.00 0.00 C ATOM 212 C PRO A 10 39.350 15.348 -5.123 1.00 0.00 C ATOM 213 O PRO A 10 39.764 14.908 -4.051 1.00 0.00 O ATOM 214 CB PRO A 10 39.284 13.377 -6.676 1.00 0.00 C ATOM 215 CG PRO A 10 39.684 13.922 -8.004 1.00 0.00 C ATOM 216 CD PRO A 10 38.554 14.812 -8.443 1.00 0.00 C ATOM 0 HA PRO A 10 37.663 14.136 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.156 13.124 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.695 12.466 -6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.616 14.482 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.850 13.119 -8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.913 15.657 -9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.837 14.275 -9.064 1.00 0.00 H new ATOM 224 N ASN A 11 39.637 16.569 -5.563 1.00 0.00 N ATOM 225 CA ASN A 11 40.473 17.482 -4.793 1.00 0.00 C ATOM 226 C ASN A 11 39.618 18.447 -3.978 1.00 0.00 C ATOM 227 O ASN A 11 39.840 19.658 -3.995 1.00 0.00 O ATOM 228 CB ASN A 11 41.400 18.266 -5.724 1.00 0.00 C ATOM 229 CG ASN A 11 42.758 18.528 -5.102 1.00 0.00 C ATOM 230 OD1 ASN A 11 43.076 19.659 -4.732 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.567 17.482 -4.985 1.00 0.00 N ATOM 0 H ASN A 11 39.303 16.949 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 11 41.076 16.889 -4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.530 17.712 -6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 11 40.932 19.216 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.494 17.597 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.262 16.563 -5.305 1.00 0.00 H new ATOM 238 N CYS A 12 38.638 17.902 -3.264 1.00 0.00 N ATOM 239 CA CYS A 12 37.748 18.713 -2.442 1.00 0.00 C ATOM 240 C CYS A 12 37.888 18.349 -0.967 1.00 0.00 C ATOM 241 O CYS A 12 37.295 17.386 -0.481 1.00 0.00 O ATOM 242 CB CYS A 12 36.296 18.528 -2.889 1.00 0.00 C ATOM 243 SG CYS A 12 35.773 16.787 -3.014 1.00 0.00 S ATOM 0 H CYS A 12 38.440 16.902 -3.238 1.00 0.00 H new ATOM 0 HA CYS A 12 38.029 19.758 -2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.642 19.043 -2.185 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.162 19.007 -3.859 1.00 0.00 H new ATOM 248 N PRO A 13 38.691 19.137 -0.237 1.00 0.00 N ATOM 249 CA PRO A 13 38.928 18.918 1.193 1.00 0.00 C ATOM 250 C PRO A 13 37.696 19.225 2.038 1.00 0.00 C ATOM 251 O PRO A 13 37.677 18.968 3.242 1.00 0.00 O ATOM 252 CB PRO A 13 40.058 19.898 1.520 1.00 0.00 C ATOM 253 CG PRO A 13 39.934 20.974 0.497 1.00 0.00 C ATOM 254 CD PRO A 13 39.430 20.302 -0.751 1.00 0.00 C ATOM 0 HA PRO A 13 39.171 17.878 1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.956 20.297 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 13 41.032 19.411 1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.244 21.750 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.895 21.457 0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 13 38.785 20.963 -1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.249 20.002 -1.404 1.00 0.00 H new ATOM 262 N TYR A 14 36.669 19.775 1.400 1.00 0.00 N ATOM 263 CA TYR A 14 35.433 20.119 2.094 1.00 0.00 C ATOM 264 C TYR A 14 34.403 19.001 1.958 1.00 0.00 C ATOM 265 O TYR A 14 33.468 18.903 2.753 1.00 0.00 O ATOM 266 CB TYR A 14 34.860 21.425 1.542 1.00 0.00 C ATOM 267 CG TYR A 14 35.599 22.657 2.014 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.742 22.928 3.370 1.00 0.00 C ATOM 269 CD2 TYR A 14 36.152 23.551 1.106 1.00 0.00 C ATOM 270 CE1 TYR A 14 36.415 24.053 3.806 1.00 0.00 C ATOM 271 CE2 TYR A 14 36.828 24.677 1.533 1.00 0.00 C ATOM 272 CZ TYR A 14 36.957 24.924 2.884 1.00 0.00 C ATOM 273 OH TYR A 14 37.628 26.046 3.313 1.00 0.00 O ATOM 0 H TYR A 14 36.668 19.992 0.403 1.00 0.00 H new ATOM 0 HA TYR A 14 35.664 20.250 3.151 1.00 0.00 H new ATOM 0 HB2 TYR A 14 34.885 21.391 0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.813 21.505 1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.320 22.248 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 14 36.052 23.362 0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.516 24.249 4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 14 37.253 25.361 0.813 1.00 0.00 H new ATOM 0 HH TYR A 14 37.948 26.552 2.537 1.00 0.00 H new ATOM 283 N CYS A 15 34.583 18.160 0.945 1.00 0.00 N ATOM 284 CA CYS A 15 33.671 17.048 0.703 1.00 0.00 C ATOM 285 C CYS A 15 33.518 16.188 1.955 1.00 0.00 C ATOM 286 O CYS A 15 32.500 15.522 2.143 1.00 0.00 O ATOM 287 CB CYS A 15 34.176 16.191 -0.459 1.00 0.00 C ATOM 288 SG CYS A 15 33.842 16.898 -2.104 1.00 0.00 S ATOM 0 H CYS A 15 35.352 18.227 0.278 1.00 0.00 H new ATOM 0 HA CYS A 15 32.695 17.460 0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 15 35.251 16.046 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.713 15.206 -0.398 1.00 0.00 H new ATOM 293 N LYS A 16 34.536 16.208 2.808 1.00 0.00 N ATOM 294 CA LYS A 16 34.516 15.432 4.042 1.00 0.00 C ATOM 295 C LYS A 16 33.223 15.673 4.815 1.00 0.00 C ATOM 296 O LYS A 16 32.714 14.776 5.486 1.00 0.00 O ATOM 297 CB LYS A 16 35.720 15.793 4.915 1.00 0.00 C ATOM 298 CG LYS A 16 35.543 17.087 5.690 1.00 0.00 C ATOM 299 CD LYS A 16 36.848 17.545 6.318 1.00 0.00 C ATOM 300 CE LYS A 16 36.635 18.729 7.249 1.00 0.00 C ATOM 301 NZ LYS A 16 36.757 20.027 6.531 1.00 0.00 N ATOM 0 H LYS A 16 35.386 16.754 2.667 1.00 0.00 H new ATOM 0 HA LYS A 16 34.570 14.376 3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.905 14.981 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 16 36.604 15.876 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.167 17.863 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 16 34.793 16.946 6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 16 37.295 16.720 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 16 37.553 17.820 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 16 35.648 18.658 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 16 37.365 18.691 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 36.605 20.809 7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 37.707 20.106 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 36.044 20.074 5.776 1.00 0.00 H new ATOM 315 N ARG A 17 32.697 16.890 4.715 1.00 0.00 N ATOM 316 CA ARG A 17 31.464 17.248 5.404 1.00 0.00 C ATOM 317 C ARG A 17 30.273 16.502 4.811 1.00 0.00 C ATOM 318 O ARG A 17 29.480 15.901 5.536 1.00 0.00 O ATOM 319 CB ARG A 17 31.227 18.757 5.320 1.00 0.00 C ATOM 320 CG ARG A 17 31.919 19.544 6.421 1.00 0.00 C ATOM 321 CD ARG A 17 33.356 19.875 6.051 1.00 0.00 C ATOM 322 NE ARG A 17 33.776 21.166 6.589 1.00 0.00 N ATOM 323 CZ ARG A 17 33.985 21.391 7.882 1.00 0.00 C ATOM 324 NH1 ARG A 17 33.813 20.416 8.764 1.00 0.00 N ATOM 325 NH2 ARG A 17 34.366 22.593 8.295 1.00 0.00 N ATOM 0 H ARG A 17 33.106 17.644 4.163 1.00 0.00 H new ATOM 0 HA ARG A 17 31.566 16.961 6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.576 19.118 4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.155 18.951 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 17 31.370 20.466 6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 17 31.904 18.968 7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 17 34.016 19.093 6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 17 33.458 19.884 4.966 1.00 0.00 H new ATOM 0 HE ARG A 17 33.917 21.937 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 17 33.520 19.491 8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 17 33.974 20.591 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 17 34.499 23.346 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 17 34.526 22.764 9.288 1.00 0.00 H new ATOM 339 N ALA A 18 30.153 16.545 3.488 1.00 0.00 N ATOM 340 CA ALA A 18 29.060 15.872 2.797 1.00 0.00 C ATOM 341 C ALA A 18 29.099 14.368 3.043 1.00 0.00 C ATOM 342 O ALA A 18 28.117 13.778 3.494 1.00 0.00 O ATOM 343 CB ALA A 18 29.118 16.167 1.305 1.00 0.00 C ATOM 0 H ALA A 18 30.800 17.039 2.873 1.00 0.00 H new ATOM 0 HA ALA A 18 28.120 16.254 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.296 15.658 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 18 29.033 17.242 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.066 15.813 0.901 1.00 0.00 H new ATOM 349 N ARG A 19 30.238 13.753 2.743 1.00 0.00 N ATOM 350 CA ARG A 19 30.403 12.316 2.930 1.00 0.00 C ATOM 351 C ARG A 19 30.182 11.930 4.390 1.00 0.00 C ATOM 352 O ARG A 19 29.631 10.869 4.685 1.00 0.00 O ATOM 353 CB ARG A 19 31.798 11.879 2.481 1.00 0.00 C ATOM 354 CG ARG A 19 32.918 12.429 3.349 1.00 0.00 C ATOM 355 CD ARG A 19 33.245 11.488 4.498 1.00 0.00 C ATOM 356 NE ARG A 19 34.471 10.732 4.254 1.00 0.00 N ATOM 357 CZ ARG A 19 35.689 11.221 4.458 1.00 0.00 C ATOM 358 NH1 ARG A 19 35.844 12.458 4.908 1.00 0.00 N ATOM 359 NH2 ARG A 19 36.756 10.470 4.213 1.00 0.00 N ATOM 0 H ARG A 19 31.060 14.227 2.369 1.00 0.00 H new ATOM 0 HA ARG A 19 29.657 11.807 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.847 10.790 2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.956 12.201 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.809 12.585 2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.628 13.402 3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.350 12.062 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.416 10.796 4.647 1.00 0.00 H new ATOM 0 HE ARG A 19 34.387 9.776 3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 19 35.027 13.037 5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 19 36.781 12.830 5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 19 36.641 9.517 3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 19 37.691 10.846 4.370 1.00 0.00 H new ATOM 373 N ASP A 20 30.617 12.796 5.298 1.00 0.00 N ATOM 374 CA ASP A 20 30.467 12.545 6.727 1.00 0.00 C ATOM 375 C ASP A 20 28.993 12.469 7.113 1.00 0.00 C ATOM 376 O ASP A 20 28.567 11.537 7.798 1.00 0.00 O ATOM 377 CB ASP A 20 31.162 13.643 7.534 1.00 0.00 C ATOM 378 CG ASP A 20 30.774 13.617 9.000 1.00 0.00 C ATOM 379 OD1 ASP A 20 31.208 12.687 9.713 1.00 0.00 O ATOM 380 OD2 ASP A 20 30.037 14.527 9.434 1.00 0.00 O ATOM 0 H ASP A 20 31.076 13.678 5.070 1.00 0.00 H new ATOM 0 HA ASP A 20 30.934 11.587 6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.242 13.527 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.910 14.616 7.111 1.00 0.00 H new ATOM 385 N LEU A 21 28.219 13.454 6.671 1.00 0.00 N ATOM 386 CA LEU A 21 26.792 13.499 6.972 1.00 0.00 C ATOM 387 C LEU A 21 26.082 12.262 6.430 1.00 0.00 C ATOM 388 O LEU A 21 25.381 11.564 7.163 1.00 0.00 O ATOM 389 CB LEU A 21 26.166 14.762 6.378 1.00 0.00 C ATOM 390 CG LEU A 21 24.694 15.003 6.715 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.399 16.493 6.782 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.794 14.325 5.692 1.00 0.00 C ATOM 0 H LEU A 21 28.555 14.232 6.103 1.00 0.00 H new ATOM 0 HA LEU A 21 26.674 13.517 8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.742 15.623 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.267 14.718 5.294 1.00 0.00 H new ATOM 0 HG LEU A 21 24.490 14.568 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.347 16.645 7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.018 16.952 7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.621 16.951 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.750 14.507 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.001 14.729 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.986 13.252 5.693 1.00 0.00 H new ATOM 404 N LEU A 22 26.270 11.995 5.142 1.00 0.00 N ATOM 405 CA LEU A 22 25.650 10.841 4.501 1.00 0.00 C ATOM 406 C LEU A 22 25.964 9.559 5.267 1.00 0.00 C ATOM 407 O LEU A 22 25.059 8.851 5.709 1.00 0.00 O ATOM 408 CB LEU A 22 26.132 10.715 3.055 1.00 0.00 C ATOM 409 CG LEU A 22 25.393 11.571 2.025 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.811 12.813 2.682 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.325 11.955 0.885 1.00 0.00 C ATOM 0 H LEU A 22 26.847 12.562 4.521 1.00 0.00 H new ATOM 0 HA LEU A 22 24.570 10.991 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.190 10.974 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 22 26.050 9.670 2.755 1.00 0.00 H new ATOM 0 HG LEU A 22 24.571 10.984 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 22 24.289 13.410 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 22 24.111 12.517 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.615 13.404 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 22 25.783 12.564 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 22 27.167 12.524 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 22 26.693 11.053 0.397 1.00 0.00 H new ATOM 423 N ASP A 23 27.251 9.269 5.421 1.00 0.00 N ATOM 424 CA ASP A 23 27.684 8.074 6.136 1.00 0.00 C ATOM 425 C ASP A 23 27.159 8.078 7.569 1.00 0.00 C ATOM 426 O ASP A 23 26.797 7.034 8.112 1.00 0.00 O ATOM 427 CB ASP A 23 29.211 7.982 6.140 1.00 0.00 C ATOM 428 CG ASP A 23 29.709 6.653 6.674 1.00 0.00 C ATOM 429 OD1 ASP A 23 28.946 5.667 6.617 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.863 6.600 7.150 1.00 0.00 O ATOM 0 H ASP A 23 28.012 9.844 5.061 1.00 0.00 H new ATOM 0 HA ASP A 23 27.276 7.204 5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.583 8.125 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.619 8.790 6.747 1.00 0.00 H new ATOM 435 N LYS A 24 27.122 9.259 8.177 1.00 0.00 N ATOM 436 CA LYS A 24 26.642 9.400 9.546 1.00 0.00 C ATOM 437 C LYS A 24 25.208 8.898 9.674 1.00 0.00 C ATOM 438 O LYS A 24 24.858 8.228 10.646 1.00 0.00 O ATOM 439 CB LYS A 24 26.724 10.863 9.988 1.00 0.00 C ATOM 440 CG LYS A 24 26.254 11.094 11.414 1.00 0.00 C ATOM 441 CD LYS A 24 24.803 11.542 11.458 1.00 0.00 C ATOM 442 CE LYS A 24 24.508 12.356 12.709 1.00 0.00 C ATOM 443 NZ LYS A 24 23.046 12.457 12.972 1.00 0.00 N ATOM 0 H LYS A 24 27.419 10.133 7.743 1.00 0.00 H new ATOM 0 HA LYS A 24 27.278 8.795 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.755 11.205 9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.123 11.472 9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.370 10.175 11.989 1.00 0.00 H new ATOM 0 HG3 LYS A 24 26.883 11.848 11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 24 24.578 12.138 10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 24 24.151 10.669 11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 24 25.000 11.896 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 24 24.927 13.356 12.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 22.886 13.019 13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.579 12.918 12.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.650 11.504 13.102 1.00 0.00 H new ATOM 457 N LYS A 25 24.381 9.225 8.687 1.00 0.00 N ATOM 458 CA LYS A 25 22.984 8.806 8.687 1.00 0.00 C ATOM 459 C LYS A 25 22.858 7.336 8.300 1.00 0.00 C ATOM 460 O LYS A 25 21.962 6.635 8.770 1.00 0.00 O ATOM 461 CB LYS A 25 22.171 9.670 7.722 1.00 0.00 C ATOM 462 CG LYS A 25 22.213 11.153 8.049 1.00 0.00 C ATOM 463 CD LYS A 25 21.775 11.421 9.479 1.00 0.00 C ATOM 464 CE LYS A 25 20.337 10.983 9.712 1.00 0.00 C ATOM 465 NZ LYS A 25 20.262 9.738 10.526 1.00 0.00 N ATOM 0 H LYS A 25 24.654 9.780 7.876 1.00 0.00 H new ATOM 0 HA LYS A 25 22.592 8.933 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.545 9.519 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.134 9.334 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 25 23.225 11.531 7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.565 11.697 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.434 10.892 10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.873 12.484 9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.792 11.780 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.847 10.820 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.314 9.655 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.445 8.914 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.974 9.775 11.283 1.00 0.00 H new ATOM 479 N GLY A 26 23.762 6.875 7.441 1.00 0.00 N ATOM 480 CA GLY A 26 23.734 5.490 7.007 1.00 0.00 C ATOM 481 C GLY A 26 23.074 5.320 5.654 1.00 0.00 C ATOM 482 O GLY A 26 22.144 4.527 5.503 1.00 0.00 O ATOM 0 H GLY A 26 24.513 7.435 7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.753 5.106 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.201 4.892 7.746 1.00 0.00 H new ATOM 486 N VAL A 27 23.553 6.068 4.665 1.00 0.00 N ATOM 487 CA VAL A 27 23.003 5.997 3.316 1.00 0.00 C ATOM 488 C VAL A 27 24.094 5.708 2.292 1.00 0.00 C ATOM 489 O VAL A 27 25.272 5.603 2.635 1.00 0.00 O ATOM 490 CB VAL A 27 22.287 7.305 2.933 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.866 7.315 3.474 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.068 8.508 3.440 1.00 0.00 C ATOM 0 H VAL A 27 24.321 6.730 4.773 1.00 0.00 H new ATOM 0 HA VAL A 27 22.280 5.181 3.311 1.00 0.00 H new ATOM 0 HB VAL A 27 22.236 7.366 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.376 8.247 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.312 6.474 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.890 7.231 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.547 9.424 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.153 8.456 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.064 8.508 2.998 1.00 0.00 H new ATOM 502 N LYS A 28 23.696 5.580 1.031 1.00 0.00 N ATOM 503 CA LYS A 28 24.639 5.305 -0.046 1.00 0.00 C ATOM 504 C LYS A 28 24.762 6.504 -0.981 1.00 0.00 C ATOM 505 O LYS A 28 23.808 6.869 -1.668 1.00 0.00 O ATOM 506 CB LYS A 28 24.196 4.072 -0.837 1.00 0.00 C ATOM 507 CG LYS A 28 24.811 2.776 -0.338 1.00 0.00 C ATOM 508 CD LYS A 28 24.024 2.198 0.827 1.00 0.00 C ATOM 509 CE LYS A 28 22.976 1.203 0.352 1.00 0.00 C ATOM 510 NZ LYS A 28 21.710 1.877 -0.047 1.00 0.00 N ATOM 0 H LYS A 28 22.725 5.663 0.730 1.00 0.00 H new ATOM 0 HA LYS A 28 25.615 5.112 0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.110 3.991 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.460 4.209 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.844 2.051 -1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 28 25.841 2.956 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 28 24.706 1.706 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.539 3.005 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.369 0.638 -0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.770 0.486 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.931 1.187 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.500 2.646 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.812 2.269 -1.005 1.00 0.00 H new ATOM 524 N TYR A 29 25.943 7.112 -1.003 1.00 0.00 N ATOM 525 CA TYR A 29 26.190 8.271 -1.853 1.00 0.00 C ATOM 526 C TYR A 29 27.030 7.886 -3.067 1.00 0.00 C ATOM 527 O TYR A 29 27.911 7.029 -2.983 1.00 0.00 O ATOM 528 CB TYR A 29 26.897 9.371 -1.059 1.00 0.00 C ATOM 529 CG TYR A 29 28.304 9.008 -0.641 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.376 9.197 -1.505 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.561 8.476 0.616 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.663 8.866 -1.128 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.846 8.144 1.002 1.00 0.00 C ATOM 534 CZ TYR A 29 30.893 8.341 0.126 1.00 0.00 C ATOM 535 OH TYR A 29 32.174 8.010 0.506 1.00 0.00 O ATOM 0 H TYR A 29 26.744 6.822 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 29 25.228 8.645 -2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.929 10.279 -1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.310 9.599 -0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.200 9.610 -2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.743 8.319 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.485 9.018 -1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.029 7.733 1.984 1.00 0.00 H new ATOM 0 HH TYR A 29 32.163 7.654 1.419 1.00 0.00 H new ATOM 545 N THR A 30 26.751 8.527 -4.198 1.00 0.00 N ATOM 546 CA THR A 30 27.478 8.253 -5.431 1.00 0.00 C ATOM 547 C THR A 30 28.384 9.420 -5.806 1.00 0.00 C ATOM 548 O THR A 30 27.914 10.536 -6.028 1.00 0.00 O ATOM 549 CB THR A 30 26.516 7.969 -6.600 1.00 0.00 C ATOM 550 OG1 THR A 30 25.711 6.822 -6.304 1.00 0.00 O ATOM 551 CG2 THR A 30 27.287 7.734 -7.890 1.00 0.00 C ATOM 0 H THR A 30 26.026 9.240 -4.285 1.00 0.00 H new ATOM 0 HA THR A 30 28.087 7.368 -5.248 1.00 0.00 H new ATOM 0 HB THR A 30 25.873 8.839 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.101 6.649 -7.051 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.587 7.535 -8.701 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.877 8.619 -8.128 1.00 0.00 H new ATOM 0 HG23 THR A 30 27.951 6.878 -7.766 1.00 0.00 H new ATOM 559 N ASP A 31 29.684 9.156 -5.876 1.00 0.00 N ATOM 560 CA ASP A 31 30.656 10.185 -6.226 1.00 0.00 C ATOM 561 C ASP A 31 30.784 10.319 -7.740 1.00 0.00 C ATOM 562 O ASP A 31 30.870 9.321 -8.457 1.00 0.00 O ATOM 563 CB ASP A 31 32.019 9.858 -5.614 1.00 0.00 C ATOM 564 CG ASP A 31 33.120 10.758 -6.140 1.00 0.00 C ATOM 565 OD1 ASP A 31 32.957 11.995 -6.077 1.00 0.00 O ATOM 566 OD2 ASP A 31 34.146 10.226 -6.613 1.00 0.00 O ATOM 0 H ASP A 31 30.089 8.238 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 31 30.304 11.135 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 31 31.960 9.956 -4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.270 8.819 -5.827 1.00 0.00 H new ATOM 571 N ILE A 32 30.794 11.558 -8.221 1.00 0.00 N ATOM 572 CA ILE A 32 30.911 11.822 -9.649 1.00 0.00 C ATOM 573 C ILE A 32 32.094 12.737 -9.944 1.00 0.00 C ATOM 574 O ILE A 32 32.160 13.862 -9.449 1.00 0.00 O ATOM 575 CB ILE A 32 29.628 12.463 -10.210 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.419 11.569 -9.927 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.770 12.713 -11.704 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.397 10.303 -10.754 1.00 0.00 C ATOM 0 H ILE A 32 30.722 12.395 -7.642 1.00 0.00 H new ATOM 0 HA ILE A 32 31.069 10.860 -10.136 1.00 0.00 H new ATOM 0 HB ILE A 32 29.472 13.421 -9.714 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.414 11.303 -8.870 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.507 12.134 -10.118 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.855 13.166 -12.086 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.610 13.385 -11.882 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.947 11.767 -12.216 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.513 9.718 -10.501 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.371 10.560 -11.813 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.292 9.716 -10.545 1.00 0.00 H new ATOM 590 N ASP A 33 33.026 12.247 -10.755 1.00 0.00 N ATOM 591 CA ASP A 33 34.206 13.022 -11.119 1.00 0.00 C ATOM 592 C ASP A 33 33.809 14.353 -11.751 1.00 0.00 C ATOM 593 O ASP A 33 32.830 14.432 -12.492 1.00 0.00 O ATOM 594 CB ASP A 33 35.086 12.228 -12.086 1.00 0.00 C ATOM 595 CG ASP A 33 35.619 10.951 -11.466 1.00 0.00 C ATOM 596 OD1 ASP A 33 36.541 11.038 -10.627 1.00 0.00 O ATOM 597 OD2 ASP A 33 35.115 9.865 -11.819 1.00 0.00 O ATOM 0 H ASP A 33 32.987 11.317 -11.172 1.00 0.00 H new ATOM 0 HA ASP A 33 34.771 13.226 -10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.511 11.983 -12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.922 12.850 -12.406 1.00 0.00 H new ATOM 602 N ALA A 34 34.575 15.397 -11.450 1.00 0.00 N ATOM 603 CA ALA A 34 34.304 16.724 -11.989 1.00 0.00 C ATOM 604 C ALA A 34 34.425 16.735 -13.509 1.00 0.00 C ATOM 605 O ALA A 34 33.957 17.660 -14.172 1.00 0.00 O ATOM 606 CB ALA A 34 35.249 17.746 -11.375 1.00 0.00 C ATOM 0 H ALA A 34 35.388 15.349 -10.836 1.00 0.00 H new ATOM 0 HA ALA A 34 33.279 16.991 -11.731 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.035 18.732 -11.787 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.111 17.766 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.279 17.473 -11.604 1.00 0.00 H new ATOM 612 N SER A 35 35.056 15.700 -14.055 1.00 0.00 N ATOM 613 CA SER A 35 35.243 15.593 -15.497 1.00 0.00 C ATOM 614 C SER A 35 33.926 15.820 -16.234 1.00 0.00 C ATOM 615 O SER A 35 33.039 14.966 -16.223 1.00 0.00 O ATOM 616 CB SER A 35 35.812 14.220 -15.859 1.00 0.00 C ATOM 617 OG SER A 35 35.792 14.012 -17.260 1.00 0.00 O ATOM 0 H SER A 35 35.446 14.924 -13.520 1.00 0.00 H new ATOM 0 HA SER A 35 35.950 16.364 -15.805 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.835 14.138 -15.491 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.232 13.441 -15.364 1.00 0.00 H new ATOM 0 HG SER A 35 36.162 13.128 -17.465 1.00 0.00 H new ATOM 623 N THR A 36 33.805 16.980 -16.873 1.00 0.00 N ATOM 624 CA THR A 36 32.597 17.321 -17.614 1.00 0.00 C ATOM 625 C THR A 36 32.282 16.266 -18.668 1.00 0.00 C ATOM 626 O THR A 36 31.131 16.103 -19.072 1.00 0.00 O ATOM 627 CB THR A 36 32.729 18.694 -18.301 1.00 0.00 C ATOM 628 OG1 THR A 36 33.909 18.724 -19.112 1.00 0.00 O ATOM 629 CG2 THR A 36 32.787 19.811 -17.270 1.00 0.00 C ATOM 0 H THR A 36 34.529 17.699 -16.892 1.00 0.00 H new ATOM 0 HA THR A 36 31.783 17.361 -16.890 1.00 0.00 H new ATOM 0 HB THR A 36 31.852 18.847 -18.930 1.00 0.00 H new ATOM 0 HG1 THR A 36 33.985 19.599 -19.547 1.00 0.00 H new ATOM 0 HG21 THR A 36 32.880 20.771 -17.778 1.00 0.00 H new ATOM 0 HG22 THR A 36 31.875 19.803 -16.674 1.00 0.00 H new ATOM 0 HG23 THR A 36 33.648 19.660 -16.618 1.00 0.00 H new ATOM 637 N SER A 37 33.312 15.551 -19.110 1.00 0.00 N ATOM 638 CA SER A 37 33.145 14.513 -20.120 1.00 0.00 C ATOM 639 C SER A 37 32.008 13.568 -19.745 1.00 0.00 C ATOM 640 O SER A 37 31.324 13.025 -20.614 1.00 0.00 O ATOM 641 CB SER A 37 34.444 13.724 -20.290 1.00 0.00 C ATOM 642 OG SER A 37 34.434 12.979 -21.496 1.00 0.00 O ATOM 0 H SER A 37 34.271 15.672 -18.784 1.00 0.00 H new ATOM 0 HA SER A 37 32.896 14.996 -21.065 1.00 0.00 H new ATOM 0 HB2 SER A 37 35.292 14.409 -20.289 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.577 13.050 -19.444 1.00 0.00 H new ATOM 0 HG SER A 37 35.276 12.485 -21.582 1.00 0.00 H new ATOM 648 N LEU A 38 31.811 13.377 -18.446 1.00 0.00 N ATOM 649 CA LEU A 38 30.756 12.497 -17.953 1.00 0.00 C ATOM 650 C LEU A 38 29.834 13.239 -16.991 1.00 0.00 C ATOM 651 O LEU A 38 28.630 12.984 -16.948 1.00 0.00 O ATOM 652 CB LEU A 38 31.364 11.278 -17.257 1.00 0.00 C ATOM 653 CG LEU A 38 31.653 10.071 -18.150 1.00 0.00 C ATOM 654 CD1 LEU A 38 30.356 9.470 -18.670 1.00 0.00 C ATOM 655 CD2 LEU A 38 32.561 10.465 -19.305 1.00 0.00 C ATOM 0 H LEU A 38 32.367 13.819 -17.714 1.00 0.00 H new ATOM 0 HA LEU A 38 30.167 12.163 -18.807 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.295 11.584 -16.780 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.688 10.963 -16.462 1.00 0.00 H new ATOM 0 HG LEU A 38 32.166 9.317 -17.553 1.00 0.00 H new ATOM 0 HD11 LEU A 38 30.581 8.612 -19.304 1.00 0.00 H new ATOM 0 HD12 LEU A 38 29.741 9.149 -17.829 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.815 10.218 -19.250 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.755 9.593 -19.929 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.076 11.238 -19.902 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.503 10.848 -18.913 1.00 0.00 H new ATOM 667 N ARG A 39 30.407 14.158 -16.221 1.00 0.00 N ATOM 668 CA ARG A 39 29.636 14.938 -15.260 1.00 0.00 C ATOM 669 C ARG A 39 28.580 15.782 -15.967 1.00 0.00 C ATOM 670 O ARG A 39 27.477 15.970 -15.454 1.00 0.00 O ATOM 671 CB ARG A 39 30.563 15.840 -14.443 1.00 0.00 C ATOM 672 CG ARG A 39 29.870 16.531 -13.280 1.00 0.00 C ATOM 673 CD ARG A 39 30.391 17.946 -13.082 1.00 0.00 C ATOM 674 NE ARG A 39 29.965 18.841 -14.155 1.00 0.00 N ATOM 675 CZ ARG A 39 28.732 19.321 -14.265 1.00 0.00 C ATOM 676 NH1 ARG A 39 27.807 18.995 -13.373 1.00 0.00 N ATOM 677 NH2 ARG A 39 28.421 20.130 -15.270 1.00 0.00 N ATOM 0 H ARG A 39 31.402 14.381 -16.244 1.00 0.00 H new ATOM 0 HA ARG A 39 29.131 14.244 -14.588 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.391 15.244 -14.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 30.992 16.596 -15.100 1.00 0.00 H new ATOM 0 HG2 ARG A 39 28.795 16.560 -13.460 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.025 15.954 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.037 18.332 -12.126 1.00 0.00 H new ATOM 0 HD3 ARG A 39 31.480 17.928 -13.035 1.00 0.00 H new ATOM 0 HE ARG A 39 30.652 19.112 -14.858 1.00 0.00 H new ATOM 0 HH11 ARG A 39 28.042 18.374 -12.599 1.00 0.00 H new ATOM 0 HH12 ARG A 39 26.861 19.366 -13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 39 29.129 20.383 -15.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 27.474 20.498 -15.354 1.00 0.00 H new ATOM 691 N GLN A 40 28.926 16.288 -17.146 1.00 0.00 N ATOM 692 CA GLN A 40 28.008 17.114 -17.922 1.00 0.00 C ATOM 693 C GLN A 40 26.812 16.296 -18.400 1.00 0.00 C ATOM 694 O GLN A 40 25.686 16.790 -18.436 1.00 0.00 O ATOM 695 CB GLN A 40 28.731 17.729 -19.121 1.00 0.00 C ATOM 696 CG GLN A 40 27.849 18.636 -19.964 1.00 0.00 C ATOM 697 CD GLN A 40 28.071 20.106 -19.668 1.00 0.00 C ATOM 698 OE1 GLN A 40 28.827 20.462 -18.763 1.00 0.00 O ATOM 699 NE2 GLN A 40 27.413 20.970 -20.432 1.00 0.00 N ATOM 0 H GLN A 40 29.835 16.141 -17.585 1.00 0.00 H new ATOM 0 HA GLN A 40 27.645 17.914 -17.277 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.588 18.300 -18.764 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.120 16.928 -19.750 1.00 0.00 H new ATOM 0 HG2 GLN A 40 28.045 18.448 -21.020 1.00 0.00 H new ATOM 0 HG3 GLN A 40 26.803 18.387 -19.785 1.00 0.00 H new ATOM 0 HE21 GLN A 40 26.797 20.631 -21.171 1.00 0.00 H new ATOM 0 HE22 GLN A 40 27.524 21.973 -20.280 1.00 0.00 H new ATOM 708 N GLU A 41 27.066 15.043 -18.765 1.00 0.00 N ATOM 709 CA GLU A 41 26.010 14.158 -19.241 1.00 0.00 C ATOM 710 C GLU A 41 25.073 13.766 -18.102 1.00 0.00 C ATOM 711 O GLU A 41 23.852 13.849 -18.233 1.00 0.00 O ATOM 712 CB GLU A 41 26.613 12.903 -19.875 1.00 0.00 C ATOM 713 CG GLU A 41 27.838 13.181 -20.730 1.00 0.00 C ATOM 714 CD GLU A 41 27.595 14.263 -21.763 1.00 0.00 C ATOM 715 OE1 GLU A 41 26.462 14.344 -22.283 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.538 15.029 -22.053 1.00 0.00 O ATOM 0 H GLU A 41 27.993 14.619 -18.740 1.00 0.00 H new ATOM 0 HA GLU A 41 25.433 14.695 -19.994 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.883 12.201 -19.086 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.855 12.416 -20.489 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.666 13.478 -20.086 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.140 12.263 -21.235 1.00 0.00 H new ATOM 723 N MET A 42 25.654 13.339 -16.986 1.00 0.00 N ATOM 724 CA MET A 42 24.872 12.935 -15.824 1.00 0.00 C ATOM 725 C MET A 42 24.012 14.090 -15.319 1.00 0.00 C ATOM 726 O MET A 42 22.805 13.942 -15.129 1.00 0.00 O ATOM 727 CB MET A 42 25.795 12.445 -14.706 1.00 0.00 C ATOM 728 CG MET A 42 26.446 11.103 -15.001 1.00 0.00 C ATOM 729 SD MET A 42 28.162 11.029 -14.455 1.00 0.00 S ATOM 730 CE MET A 42 28.311 9.293 -14.039 1.00 0.00 C ATOM 0 H MET A 42 26.664 13.264 -16.862 1.00 0.00 H new ATOM 0 HA MET A 42 24.214 12.120 -16.126 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.574 13.188 -14.537 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.223 12.367 -13.781 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.878 10.312 -14.510 1.00 0.00 H new ATOM 0 HG3 MET A 42 26.401 10.910 -16.073 1.00 0.00 H new ATOM 0 HE1 MET A 42 29.326 9.086 -13.700 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.606 9.047 -13.245 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.091 8.688 -14.919 1.00 0.00 H new ATOM 740 N VAL A 43 24.642 15.241 -15.103 1.00 0.00 N ATOM 741 CA VAL A 43 23.935 16.421 -14.621 1.00 0.00 C ATOM 742 C VAL A 43 22.883 16.880 -15.625 1.00 0.00 C ATOM 743 O VAL A 43 21.808 17.341 -15.244 1.00 0.00 O ATOM 744 CB VAL A 43 24.906 17.583 -14.344 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.517 18.090 -15.641 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.195 18.707 -13.605 1.00 0.00 C ATOM 0 H VAL A 43 25.641 15.381 -15.254 1.00 0.00 H new ATOM 0 HA VAL A 43 23.445 16.138 -13.690 1.00 0.00 H new ATOM 0 HB VAL A 43 25.713 17.215 -13.710 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.200 18.911 -15.425 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.063 17.281 -16.126 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.726 18.441 -16.303 1.00 0.00 H new ATOM 0 HG21 VAL A 43 24.896 19.520 -13.417 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.367 19.075 -14.211 1.00 0.00 H new ATOM 0 HG23 VAL A 43 23.811 18.333 -12.656 1.00 0.00 H new ATOM 756 N GLN A 44 23.202 16.749 -16.908 1.00 0.00 N ATOM 757 CA GLN A 44 22.284 17.151 -17.968 1.00 0.00 C ATOM 758 C GLN A 44 20.986 16.353 -17.895 1.00 0.00 C ATOM 759 O GLN A 44 19.895 16.924 -17.892 1.00 0.00 O ATOM 760 CB GLN A 44 22.938 16.959 -19.338 1.00 0.00 C ATOM 761 CG GLN A 44 23.628 18.208 -19.863 1.00 0.00 C ATOM 762 CD GLN A 44 24.451 17.940 -21.107 1.00 0.00 C ATOM 763 OE1 GLN A 44 24.829 16.801 -21.382 1.00 0.00 O ATOM 764 NE2 GLN A 44 24.734 18.992 -21.867 1.00 0.00 N ATOM 0 H GLN A 44 24.088 16.368 -17.239 1.00 0.00 H new ATOM 0 HA GLN A 44 22.049 18.206 -17.830 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.667 16.151 -19.273 1.00 0.00 H new ATOM 0 HB3 GLN A 44 22.178 16.646 -20.054 1.00 0.00 H new ATOM 0 HG2 GLN A 44 22.878 18.967 -20.085 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.274 18.616 -19.085 1.00 0.00 H new ATOM 0 HE21 GLN A 44 24.400 19.918 -21.601 1.00 0.00 H new ATOM 0 HE22 GLN A 44 25.285 18.874 -22.717 1.00 0.00 H new ATOM 773 N ARG A 45 21.112 15.032 -17.835 1.00 0.00 N ATOM 774 CA ARG A 45 19.948 14.156 -17.764 1.00 0.00 C ATOM 775 C ARG A 45 19.386 14.114 -16.346 1.00 0.00 C ATOM 776 O ARG A 45 18.277 13.631 -16.122 1.00 0.00 O ATOM 777 CB ARG A 45 20.318 12.743 -18.219 1.00 0.00 C ATOM 778 CG ARG A 45 20.310 12.569 -19.729 1.00 0.00 C ATOM 779 CD ARG A 45 20.987 11.271 -20.143 1.00 0.00 C ATOM 780 NE ARG A 45 20.942 11.068 -21.589 1.00 0.00 N ATOM 781 CZ ARG A 45 21.424 9.988 -22.194 1.00 0.00 C ATOM 782 NH1 ARG A 45 21.983 9.019 -21.483 1.00 0.00 N ATOM 783 NH2 ARG A 45 21.346 9.876 -23.514 1.00 0.00 N ATOM 0 H ARG A 45 22.008 14.544 -17.834 1.00 0.00 H new ATOM 0 HA ARG A 45 19.182 14.556 -18.429 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.309 12.495 -17.838 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.620 12.033 -17.776 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.282 12.577 -20.092 1.00 0.00 H new ATOM 0 HG3 ARG A 45 20.819 13.412 -20.196 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.025 11.281 -19.810 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.501 10.433 -19.644 1.00 0.00 H new ATOM 0 HE ARG A 45 20.518 11.795 -22.165 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.044 9.101 -20.468 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.352 8.191 -21.951 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.916 10.619 -24.064 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.716 9.047 -23.978 1.00 0.00 H new ATOM 797 N ALA A 46 20.160 14.623 -15.393 1.00 0.00 N ATOM 798 CA ALA A 46 19.739 14.645 -13.997 1.00 0.00 C ATOM 799 C ALA A 46 18.728 15.759 -13.747 1.00 0.00 C ATOM 800 O ALA A 46 17.750 15.572 -13.025 1.00 0.00 O ATOM 801 CB ALA A 46 20.945 14.809 -13.085 1.00 0.00 C ATOM 0 H ALA A 46 21.082 15.026 -15.562 1.00 0.00 H new ATOM 0 HA ALA A 46 19.255 13.694 -13.773 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.616 14.824 -12.046 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.632 13.976 -13.236 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.453 15.745 -13.318 1.00 0.00 H new ATOM 807 N ASN A 47 18.972 16.920 -14.347 1.00 0.00 N ATOM 808 CA ASN A 47 18.083 18.065 -14.188 1.00 0.00 C ATOM 809 C ASN A 47 17.565 18.544 -15.540 1.00 0.00 C ATOM 810 O ASN A 47 16.373 18.801 -15.704 1.00 0.00 O ATOM 811 CB ASN A 47 18.811 19.206 -13.474 1.00 0.00 C ATOM 812 CG ASN A 47 20.281 19.274 -13.843 1.00 0.00 C ATOM 813 OD1 ASN A 47 21.133 18.723 -13.147 1.00 0.00 O ATOM 814 ND2 ASN A 47 20.583 19.953 -14.944 1.00 0.00 N ATOM 0 H ASN A 47 19.778 17.092 -14.948 1.00 0.00 H new ATOM 0 HA ASN A 47 17.232 17.751 -13.584 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.332 20.152 -13.725 1.00 0.00 H new ATOM 0 HB3 ASN A 47 18.715 19.076 -12.396 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.555 20.034 -15.243 1.00 0.00 H new ATOM 0 HD22 ASN A 47 19.843 20.394 -15.490 1.00 0.00 H new ATOM 821 N GLY A 48 18.470 18.661 -16.507 1.00 0.00 N ATOM 822 CA GLY A 48 18.086 19.108 -17.833 1.00 0.00 C ATOM 823 C GLY A 48 19.236 19.746 -18.587 1.00 0.00 C ATOM 824 O GLY A 48 19.597 19.299 -19.676 1.00 0.00 O ATOM 0 H GLY A 48 19.463 18.454 -16.396 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.708 18.260 -18.404 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.269 19.825 -17.749 1.00 0.00 H new ATOM 828 N ARG A 49 19.813 20.793 -18.007 1.00 0.00 N ATOM 829 CA ARG A 49 20.927 21.495 -18.632 1.00 0.00 C ATOM 830 C ARG A 49 21.814 22.154 -17.580 1.00 0.00 C ATOM 831 O ARG A 49 21.376 23.048 -16.856 1.00 0.00 O ATOM 832 CB ARG A 49 20.408 22.551 -19.611 1.00 0.00 C ATOM 833 CG ARG A 49 21.511 23.327 -20.310 1.00 0.00 C ATOM 834 CD ARG A 49 22.082 22.548 -21.485 1.00 0.00 C ATOM 835 NE ARG A 49 21.236 22.649 -22.672 1.00 0.00 N ATOM 836 CZ ARG A 49 21.226 23.704 -23.479 1.00 0.00 C ATOM 837 NH1 ARG A 49 22.012 24.742 -23.229 1.00 0.00 N ATOM 838 NH2 ARG A 49 20.428 23.722 -24.539 1.00 0.00 N ATOM 0 H ARG A 49 19.527 21.174 -17.105 1.00 0.00 H new ATOM 0 HA ARG A 49 21.523 20.764 -19.179 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.786 22.064 -20.362 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.768 23.250 -19.073 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.119 24.282 -20.661 1.00 0.00 H new ATOM 0 HG3 ARG A 49 22.307 23.551 -19.599 1.00 0.00 H new ATOM 0 HD2 ARG A 49 23.079 22.922 -21.718 1.00 0.00 H new ATOM 0 HD3 ARG A 49 22.192 21.500 -21.206 1.00 0.00 H new ATOM 0 HE ARG A 49 20.620 21.867 -22.893 1.00 0.00 H new ATOM 0 HH11 ARG A 49 22.627 24.732 -22.415 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.002 25.551 -23.851 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.822 22.925 -24.735 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.421 24.532 -25.158 1.00 0.00 H new ATOM 852 N ASN A 50 23.062 21.706 -17.500 1.00 0.00 N ATOM 853 CA ASN A 50 24.011 22.251 -16.536 1.00 0.00 C ATOM 854 C ASN A 50 25.444 22.091 -17.032 1.00 0.00 C ATOM 855 O ASN A 50 25.722 21.273 -17.910 1.00 0.00 O ATOM 856 CB ASN A 50 23.847 21.558 -15.181 1.00 0.00 C ATOM 857 CG ASN A 50 23.010 22.372 -14.213 1.00 0.00 C ATOM 858 OD1 ASN A 50 22.051 21.867 -13.629 1.00 0.00 O ATOM 859 ND2 ASN A 50 23.371 23.638 -14.039 1.00 0.00 N ATOM 0 H ASN A 50 23.440 20.966 -18.092 1.00 0.00 H new ATOM 0 HA ASN A 50 23.803 23.315 -16.421 1.00 0.00 H new ATOM 0 HB2 ASN A 50 23.382 20.583 -15.328 1.00 0.00 H new ATOM 0 HB3 ASN A 50 24.830 21.380 -14.746 1.00 0.00 H new ATOM 0 HD21 ASN A 50 22.846 24.235 -13.400 1.00 0.00 H new ATOM 0 HD22 ASN A 50 24.173 24.014 -14.545 1.00 0.00 H new ATOM 866 N THR A 51 26.353 22.877 -16.463 1.00 0.00 N ATOM 867 CA THR A 51 27.758 22.823 -16.848 1.00 0.00 C ATOM 868 C THR A 51 28.657 23.293 -15.710 1.00 0.00 C ATOM 869 O THR A 51 29.683 23.934 -15.940 1.00 0.00 O ATOM 870 CB THR A 51 28.033 23.686 -18.094 1.00 0.00 C ATOM 871 OG1 THR A 51 26.981 23.515 -19.050 1.00 0.00 O ATOM 872 CG2 THR A 51 29.366 23.314 -18.726 1.00 0.00 C ATOM 0 H THR A 51 26.141 23.558 -15.734 1.00 0.00 H new ATOM 0 HA THR A 51 27.983 21.782 -17.080 1.00 0.00 H new ATOM 0 HB THR A 51 28.075 24.730 -17.784 1.00 0.00 H new ATOM 0 HG1 THR A 51 27.163 24.068 -19.839 1.00 0.00 H new ATOM 0 HG21 THR A 51 29.539 23.936 -19.604 1.00 0.00 H new ATOM 0 HG22 THR A 51 30.168 23.473 -18.005 1.00 0.00 H new ATOM 0 HG23 THR A 51 29.348 22.265 -19.023 1.00 0.00 H new ATOM 880 N PHE A 52 28.267 22.969 -14.481 1.00 0.00 N ATOM 881 CA PHE A 52 29.039 23.358 -13.307 1.00 0.00 C ATOM 882 C PHE A 52 28.927 22.304 -12.209 1.00 0.00 C ATOM 883 O PHE A 52 27.884 21.679 -12.018 1.00 0.00 O ATOM 884 CB PHE A 52 28.559 24.712 -12.781 1.00 0.00 C ATOM 885 CG PHE A 52 29.218 25.884 -13.451 1.00 0.00 C ATOM 886 CD1 PHE A 52 28.755 26.352 -14.670 1.00 0.00 C ATOM 887 CD2 PHE A 52 30.301 26.517 -12.862 1.00 0.00 C ATOM 888 CE1 PHE A 52 29.360 27.429 -15.289 1.00 0.00 C ATOM 889 CE2 PHE A 52 30.910 27.595 -13.476 1.00 0.00 C ATOM 890 CZ PHE A 52 30.438 28.052 -14.691 1.00 0.00 C ATOM 0 H PHE A 52 27.421 22.438 -14.273 1.00 0.00 H new ATOM 0 HA PHE A 52 30.085 23.441 -13.602 1.00 0.00 H new ATOM 0 HB2 PHE A 52 27.480 24.784 -12.919 1.00 0.00 H new ATOM 0 HB3 PHE A 52 28.748 24.764 -11.709 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.912 25.870 -15.142 1.00 0.00 H new ATOM 0 HD2 PHE A 52 30.674 26.164 -11.912 1.00 0.00 H new ATOM 0 HE1 PHE A 52 28.990 27.783 -16.240 1.00 0.00 H new ATOM 0 HE2 PHE A 52 31.754 28.079 -13.007 1.00 0.00 H new ATOM 0 HZ PHE A 52 30.911 28.895 -15.173 1.00 0.00 H new ATOM 900 N PRO A 53 30.028 22.101 -11.470 1.00 0.00 N ATOM 901 CA PRO A 53 30.079 21.124 -10.378 1.00 0.00 C ATOM 902 C PRO A 53 29.235 21.547 -9.181 1.00 0.00 C ATOM 903 O PRO A 53 29.142 22.732 -8.864 1.00 0.00 O ATOM 904 CB PRO A 53 31.563 21.091 -10.001 1.00 0.00 C ATOM 905 CG PRO A 53 32.089 22.421 -10.419 1.00 0.00 C ATOM 906 CD PRO A 53 31.307 22.811 -11.642 1.00 0.00 C ATOM 0 HA PRO A 53 29.679 20.156 -10.679 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.696 20.931 -8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 53 32.083 20.281 -10.512 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.964 23.157 -9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.155 22.367 -10.639 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.163 23.890 -11.700 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.815 22.508 -12.557 1.00 0.00 H new ATOM 914 N GLN A 54 28.622 20.570 -8.521 1.00 0.00 N ATOM 915 CA GLN A 54 27.785 20.842 -7.359 1.00 0.00 C ATOM 916 C GLN A 54 27.268 19.546 -6.744 1.00 0.00 C ATOM 917 O GLN A 54 27.559 18.455 -7.236 1.00 0.00 O ATOM 918 CB GLN A 54 26.609 21.739 -7.750 1.00 0.00 C ATOM 919 CG GLN A 54 25.370 20.968 -8.176 1.00 0.00 C ATOM 920 CD GLN A 54 25.681 19.872 -9.177 1.00 0.00 C ATOM 921 OE1 GLN A 54 26.400 20.092 -10.152 1.00 0.00 O ATOM 922 NE2 GLN A 54 25.140 18.683 -8.940 1.00 0.00 N ATOM 0 H GLN A 54 28.689 19.583 -8.771 1.00 0.00 H new ATOM 0 HA GLN A 54 28.395 21.357 -6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 54 26.355 22.380 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.918 22.393 -8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.900 20.529 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 54 24.648 21.659 -8.612 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.550 18.546 -8.119 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.314 17.907 -9.579 1.00 0.00 H new ATOM 931 N ILE A 55 26.500 19.672 -5.667 1.00 0.00 N ATOM 932 CA ILE A 55 25.943 18.510 -4.986 1.00 0.00 C ATOM 933 C ILE A 55 24.518 18.232 -5.451 1.00 0.00 C ATOM 934 O ILE A 55 23.743 19.156 -5.701 1.00 0.00 O ATOM 935 CB ILE A 55 25.944 18.699 -3.457 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.371 18.917 -2.950 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.311 17.496 -2.774 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.441 19.713 -1.666 1.00 0.00 C ATOM 0 H ILE A 55 26.249 20.567 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 55 26.578 17.661 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 55 25.353 19.582 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.844 17.948 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.946 19.432 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.319 17.645 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.283 17.382 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.877 16.598 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.482 19.829 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 55 26.997 20.696 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.894 19.189 -0.883 1.00 0.00 H new ATOM 950 N PHE A 56 24.177 16.952 -5.563 1.00 0.00 N ATOM 951 CA PHE A 56 22.844 16.551 -5.998 1.00 0.00 C ATOM 952 C PHE A 56 22.180 15.655 -4.957 1.00 0.00 C ATOM 953 O PHE A 56 22.826 14.790 -4.364 1.00 0.00 O ATOM 954 CB PHE A 56 22.920 15.822 -7.341 1.00 0.00 C ATOM 955 CG PHE A 56 22.112 16.477 -8.425 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.744 16.639 -8.285 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.722 16.930 -9.583 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.998 17.241 -9.281 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.982 17.533 -10.583 1.00 0.00 C ATOM 960 CZ PHE A 56 20.618 17.689 -10.431 1.00 0.00 C ATOM 0 H PHE A 56 24.805 16.175 -5.359 1.00 0.00 H new ATOM 0 HA PHE A 56 22.241 17.451 -6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.962 15.768 -7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.573 14.797 -7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.254 16.291 -7.387 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.788 16.811 -9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.932 17.361 -9.160 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.470 17.881 -11.481 1.00 0.00 H new ATOM 0 HZ PHE A 56 20.037 18.160 -11.210 1.00 0.00 H new ATOM 970 N ILE A 57 20.887 15.869 -4.740 1.00 0.00 N ATOM 971 CA ILE A 57 20.134 15.081 -3.771 1.00 0.00 C ATOM 972 C ILE A 57 18.720 14.802 -4.269 1.00 0.00 C ATOM 973 O ILE A 57 17.962 15.725 -4.566 1.00 0.00 O ATOM 974 CB ILE A 57 20.056 15.792 -2.407 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.686 17.264 -2.595 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.378 15.662 -1.665 1.00 0.00 C ATOM 977 CD1 ILE A 57 19.194 17.930 -1.329 1.00 0.00 C ATOM 0 H ILE A 57 20.339 16.581 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 57 20.666 14.137 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 57 19.279 15.316 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.557 17.805 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.914 17.341 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.307 16.170 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.602 14.608 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.173 16.115 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 57 18.950 18.972 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.304 17.414 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.973 17.885 -0.568 1.00 0.00 H new ATOM 989 N GLY A 58 18.371 13.522 -4.356 1.00 0.00 N ATOM 990 CA GLY A 58 17.048 13.144 -4.817 1.00 0.00 C ATOM 991 C GLY A 58 16.637 13.886 -6.073 1.00 0.00 C ATOM 992 O GLY A 58 15.510 14.372 -6.175 1.00 0.00 O ATOM 0 H GLY A 58 18.981 12.740 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.026 12.071 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.322 13.341 -4.028 1.00 0.00 H new ATOM 996 N ASP A 59 17.553 13.976 -7.031 1.00 0.00 N ATOM 997 CA ASP A 59 17.281 14.665 -8.287 1.00 0.00 C ATOM 998 C ASP A 59 17.089 16.160 -8.056 1.00 0.00 C ATOM 999 O ASP A 59 16.301 16.809 -8.745 1.00 0.00 O ATOM 1000 CB ASP A 59 16.038 14.076 -8.957 1.00 0.00 C ATOM 1001 CG ASP A 59 15.999 12.563 -8.877 1.00 0.00 C ATOM 1002 OD1 ASP A 59 16.720 11.908 -9.659 1.00 0.00 O ATOM 1003 OD2 ASP A 59 15.248 12.033 -8.032 1.00 0.00 O ATOM 0 H ASP A 59 18.491 13.580 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 59 18.140 14.525 -8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.145 14.485 -8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.013 14.382 -10.003 1.00 0.00 H new ATOM 1008 N TYR A 60 17.813 16.701 -7.083 1.00 0.00 N ATOM 1009 CA TYR A 60 17.720 18.119 -6.759 1.00 0.00 C ATOM 1010 C TYR A 60 19.081 18.674 -6.348 1.00 0.00 C ATOM 1011 O TYR A 60 19.568 18.406 -5.249 1.00 0.00 O ATOM 1012 CB TYR A 60 16.706 18.342 -5.636 1.00 0.00 C ATOM 1013 CG TYR A 60 16.748 19.735 -5.049 1.00 0.00 C ATOM 1014 CD1 TYR A 60 15.971 20.757 -5.578 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.565 20.028 -3.964 1.00 0.00 C ATOM 1016 CE1 TYR A 60 16.007 22.031 -5.046 1.00 0.00 C ATOM 1017 CE2 TYR A 60 17.607 21.299 -3.423 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.826 22.297 -3.968 1.00 0.00 C ATOM 1019 OH TYR A 60 16.864 23.564 -3.434 1.00 0.00 O ATOM 0 H TYR A 60 18.471 16.179 -6.505 1.00 0.00 H new ATOM 0 HA TYR A 60 17.386 18.648 -7.651 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.704 18.148 -6.019 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.890 17.617 -4.843 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.327 20.552 -6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.178 19.249 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.398 22.815 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.247 21.510 -2.579 1.00 0.00 H new ATOM 0 HH TYR A 60 17.490 23.583 -2.680 1.00 0.00 H new ATOM 1029 N HIS A 61 19.690 19.451 -7.239 1.00 0.00 N ATOM 1030 CA HIS A 61 20.994 20.046 -6.970 1.00 0.00 C ATOM 1031 C HIS A 61 20.906 21.054 -5.828 1.00 0.00 C ATOM 1032 O HIS A 61 19.920 21.780 -5.702 1.00 0.00 O ATOM 1033 CB HIS A 61 21.536 20.727 -8.226 1.00 0.00 C ATOM 1034 CG HIS A 61 20.607 21.753 -8.799 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.518 21.430 -9.581 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.609 23.103 -8.699 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.891 22.536 -9.938 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.533 23.566 -9.416 1.00 0.00 N ATOM 0 H HIS A 61 19.301 19.683 -8.153 1.00 0.00 H new ATOM 0 HA HIS A 61 21.676 19.248 -6.675 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.488 21.202 -7.990 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.738 19.969 -8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 61 21.324 23.704 -8.156 1.00 0.00 H new ATOM 0 HE1 HIS A 61 18.004 22.589 -10.552 1.00 0.00 H new ATOM 0 HE2 HIS A 61 19.272 24.546 -9.527 1.00 0.00 H new ATOM 1046 N VAL A 62 21.943 21.091 -4.997 1.00 0.00 N ATOM 1047 CA VAL A 62 21.983 22.010 -3.865 1.00 0.00 C ATOM 1048 C VAL A 62 22.917 23.183 -4.142 1.00 0.00 C ATOM 1049 O VAL A 62 22.510 24.342 -4.082 1.00 0.00 O ATOM 1050 CB VAL A 62 22.440 21.297 -2.579 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.469 22.270 -1.410 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.534 20.113 -2.276 1.00 0.00 C ATOM 0 H VAL A 62 22.766 20.496 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 62 20.968 22.383 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 62 23.452 20.921 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 62 22.794 21.748 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.163 23.082 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.471 22.678 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 62 21.871 19.621 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.510 20.463 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.570 19.406 -3.105 1.00 0.00 H new ATOM 1062 N GLY A 63 24.174 22.872 -4.448 1.00 0.00 N ATOM 1063 CA GLY A 63 25.147 23.911 -4.730 1.00 0.00 C ATOM 1064 C GLY A 63 26.500 23.621 -4.113 1.00 0.00 C ATOM 1065 O GLY A 63 27.202 22.706 -4.541 1.00 0.00 O ATOM 0 H GLY A 63 24.535 21.920 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.258 24.017 -5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.776 24.864 -4.353 1.00 0.00 H new ATOM 1069 N GLY A 64 26.869 24.405 -3.104 1.00 0.00 N ATOM 1070 CA GLY A 64 28.147 24.212 -2.444 1.00 0.00 C ATOM 1071 C GLY A 64 28.086 23.158 -1.357 1.00 0.00 C ATOM 1072 O GLY A 64 27.045 22.535 -1.146 1.00 0.00 O ATOM 0 H GLY A 64 26.306 25.170 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.894 23.924 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 64 28.475 25.157 -2.011 1.00 0.00 H new ATOM 1076 N CYS A 65 29.203 22.955 -0.668 1.00 0.00 N ATOM 1077 CA CYS A 65 29.273 21.966 0.401 1.00 0.00 C ATOM 1078 C CYS A 65 28.525 22.449 1.639 1.00 0.00 C ATOM 1079 O CYS A 65 27.555 21.827 2.072 1.00 0.00 O ATOM 1080 CB CYS A 65 30.731 21.669 0.755 1.00 0.00 C ATOM 1081 SG CYS A 65 31.086 19.915 1.015 1.00 0.00 S ATOM 0 H CYS A 65 30.073 23.462 -0.831 1.00 0.00 H new ATOM 0 HA CYS A 65 28.799 21.051 0.047 1.00 0.00 H new ATOM 0 HB2 CYS A 65 31.371 22.044 -0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.994 22.219 1.658 1.00 0.00 H new ATOM 0 HG CYS A 65 32.008 19.789 1.923 1.00 0.00 H new ATOM 1087 N ASP A 66 28.982 23.561 2.204 1.00 0.00 N ATOM 1088 CA ASP A 66 28.356 24.128 3.393 1.00 0.00 C ATOM 1089 C ASP A 66 26.864 24.349 3.168 1.00 0.00 C ATOM 1090 O ASP A 66 26.077 24.352 4.115 1.00 0.00 O ATOM 1091 CB ASP A 66 29.029 25.449 3.769 1.00 0.00 C ATOM 1092 CG ASP A 66 29.082 26.423 2.608 1.00 0.00 C ATOM 1093 OD1 ASP A 66 28.107 27.182 2.426 1.00 0.00 O ATOM 1094 OD2 ASP A 66 30.098 26.425 1.882 1.00 0.00 O ATOM 0 H ASP A 66 29.784 24.088 1.858 1.00 0.00 H new ATOM 0 HA ASP A 66 28.481 23.420 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.489 25.906 4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 66 30.042 25.251 4.119 1.00 0.00 H new ATOM 1099 N ASP A 67 26.481 24.534 1.910 1.00 0.00 N ATOM 1100 CA ASP A 67 25.083 24.756 1.560 1.00 0.00 C ATOM 1101 C ASP A 67 24.197 23.657 2.138 1.00 0.00 C ATOM 1102 O ASP A 67 23.239 23.933 2.861 1.00 0.00 O ATOM 1103 CB ASP A 67 24.918 24.815 0.041 1.00 0.00 C ATOM 1104 CG ASP A 67 23.635 25.507 -0.376 1.00 0.00 C ATOM 1105 OD1 ASP A 67 22.919 26.013 0.513 1.00 0.00 O ATOM 1106 OD2 ASP A 67 23.348 25.543 -1.591 1.00 0.00 O ATOM 0 H ASP A 67 27.120 24.535 1.115 1.00 0.00 H new ATOM 0 HA ASP A 67 24.774 25.710 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.768 25.340 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.929 23.802 -0.362 1.00 0.00 H new ATOM 1111 N LEU A 68 24.524 22.410 1.816 1.00 0.00 N ATOM 1112 CA LEU A 68 23.757 21.268 2.302 1.00 0.00 C ATOM 1113 C LEU A 68 23.696 21.263 3.826 1.00 0.00 C ATOM 1114 O LEU A 68 22.682 20.889 4.416 1.00 0.00 O ATOM 1115 CB LEU A 68 24.376 19.963 1.801 1.00 0.00 C ATOM 1116 CG LEU A 68 25.592 19.455 2.577 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.156 18.558 3.725 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.544 18.713 1.651 1.00 0.00 C ATOM 0 H LEU A 68 25.315 22.164 1.221 1.00 0.00 H new ATOM 0 HA LEU A 68 22.741 21.353 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.609 19.189 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.666 20.098 0.759 1.00 0.00 H new ATOM 0 HG LEU A 68 26.118 20.314 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.035 18.206 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.514 19.121 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.606 17.703 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.403 18.359 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 68 26.029 17.862 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.883 19.385 0.863 1.00 0.00 H new ATOM 1130 N TYR A 69 24.786 21.683 4.458 1.00 0.00 N ATOM 1131 CA TYR A 69 24.857 21.727 5.914 1.00 0.00 C ATOM 1132 C TYR A 69 23.919 22.792 6.473 1.00 0.00 C ATOM 1133 O TYR A 69 23.094 22.514 7.342 1.00 0.00 O ATOM 1134 CB TYR A 69 26.291 22.005 6.368 1.00 0.00 C ATOM 1135 CG TYR A 69 26.904 20.875 7.164 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.170 19.646 6.572 1.00 0.00 C ATOM 1137 CD2 TYR A 69 27.219 21.037 8.507 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.729 18.611 7.296 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.780 20.008 9.239 1.00 0.00 C ATOM 1140 CZ TYR A 69 28.033 18.797 8.629 1.00 0.00 C ATOM 1141 OH TYR A 69 28.591 17.769 9.353 1.00 0.00 O ATOM 0 H TYR A 69 25.633 21.998 3.985 1.00 0.00 H new ATOM 0 HA TYR A 69 24.544 20.756 6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.910 22.198 5.492 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.302 22.912 6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.936 19.498 5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 69 27.022 21.984 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.927 17.661 6.821 1.00 0.00 H new ATOM 0 HE2 TYR A 69 28.019 20.151 10.282 1.00 0.00 H new ATOM 0 HH TYR A 69 28.745 18.064 10.275 1.00 0.00 H new ATOM 1151 N ALA A 70 24.053 24.014 5.967 1.00 0.00 N ATOM 1152 CA ALA A 70 23.216 25.121 6.413 1.00 0.00 C ATOM 1153 C ALA A 70 21.736 24.771 6.301 1.00 0.00 C ATOM 1154 O ALA A 70 20.983 24.898 7.267 1.00 0.00 O ATOM 1155 CB ALA A 70 23.527 26.374 5.608 1.00 0.00 C ATOM 0 H ALA A 70 24.733 24.262 5.248 1.00 0.00 H new ATOM 0 HA ALA A 70 23.438 25.312 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.895 27.193 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.575 26.643 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.334 26.185 4.552 1.00 0.00 H new ATOM 1161 N LEU A 71 21.325 24.331 5.117 1.00 0.00 N ATOM 1162 CA LEU A 71 19.934 23.963 4.878 1.00 0.00 C ATOM 1163 C LEU A 71 19.496 22.848 5.822 1.00 0.00 C ATOM 1164 O LEU A 71 18.434 22.926 6.439 1.00 0.00 O ATOM 1165 CB LEU A 71 19.745 23.522 3.426 1.00 0.00 C ATOM 1166 CG LEU A 71 20.056 24.572 2.359 1.00 0.00 C ATOM 1167 CD1 LEU A 71 20.483 23.904 1.061 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.850 25.470 2.127 1.00 0.00 C ATOM 0 H LEU A 71 21.935 24.220 4.307 1.00 0.00 H new ATOM 0 HA LEU A 71 19.314 24.839 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.377 22.652 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.712 23.197 3.297 1.00 0.00 H new ATOM 0 HG LEU A 71 20.881 25.190 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.700 24.667 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 71 21.376 23.304 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.679 23.262 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 71 19.090 26.211 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.006 24.866 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.589 25.977 3.056 1.00 0.00 H new ATOM 1180 N GLU A 72 20.323 21.813 5.930 1.00 0.00 N ATOM 1181 CA GLU A 72 20.020 20.682 6.801 1.00 0.00 C ATOM 1182 C GLU A 72 19.796 21.147 8.237 1.00 0.00 C ATOM 1183 O GLU A 72 18.985 20.577 8.965 1.00 0.00 O ATOM 1184 CB GLU A 72 21.155 19.658 6.755 1.00 0.00 C ATOM 1185 CG GLU A 72 20.965 18.495 7.716 1.00 0.00 C ATOM 1186 CD GLU A 72 20.810 17.167 7.001 1.00 0.00 C ATOM 1187 OE1 GLU A 72 21.452 16.984 5.945 1.00 0.00 O ATOM 1188 OE2 GLU A 72 20.047 16.312 7.495 1.00 0.00 O ATOM 0 H GLU A 72 21.207 21.734 5.427 1.00 0.00 H new ATOM 0 HA GLU A 72 19.103 20.214 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.242 19.269 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.095 20.159 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.820 18.443 8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.084 18.677 8.331 1.00 0.00 H new ATOM 1195 N ASN A 73 20.522 22.186 8.637 1.00 0.00 N ATOM 1196 CA ASN A 73 20.404 22.727 9.986 1.00 0.00 C ATOM 1197 C ASN A 73 19.279 23.754 10.064 1.00 0.00 C ATOM 1198 O ASN A 73 18.768 24.051 11.144 1.00 0.00 O ATOM 1199 CB ASN A 73 21.725 23.367 10.419 1.00 0.00 C ATOM 1200 CG ASN A 73 21.838 23.497 11.925 1.00 0.00 C ATOM 1201 OD1 ASN A 73 22.908 22.947 12.487 1.00 0.00 O flip ATOM 1202 ND2 ASN A 73 20.974 24.085 12.575 1.00 0.00 N flip ATOM 0 H ASN A 73 21.198 22.670 8.046 1.00 0.00 H new ATOM 0 HA ASN A 73 20.168 21.904 10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.555 22.768 10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.814 24.354 9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 73 20.168 24.493 12.101 1.00 0.00 H new ATOM 0 HD22 ASN A 73 21.064 24.165 13.588 1.00 0.00 H new ATOM 1209 N LYS A 74 18.896 24.292 8.911 1.00 0.00 N ATOM 1210 CA LYS A 74 17.830 25.285 8.846 1.00 0.00 C ATOM 1211 C LYS A 74 16.460 24.615 8.892 1.00 0.00 C ATOM 1212 O LYS A 74 15.464 25.242 9.251 1.00 0.00 O ATOM 1213 CB LYS A 74 17.959 26.119 7.570 1.00 0.00 C ATOM 1214 CG LYS A 74 18.975 27.243 7.678 1.00 0.00 C ATOM 1215 CD LYS A 74 18.606 28.224 8.778 1.00 0.00 C ATOM 1216 CE LYS A 74 19.453 29.485 8.708 1.00 0.00 C ATOM 1217 NZ LYS A 74 18.786 30.640 9.371 1.00 0.00 N ATOM 0 H LYS A 74 19.308 24.057 8.008 1.00 0.00 H new ATOM 0 HA LYS A 74 17.924 25.940 9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.240 25.464 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.986 26.543 7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.962 26.825 7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.039 27.770 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 74 17.552 28.488 8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.739 27.749 9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.417 29.301 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.652 29.731 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.396 31.480 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.878 30.832 8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.618 30.416 10.373 1.00 0.00 H new ATOM 1231 N GLY A 75 16.418 23.337 8.527 1.00 0.00 N ATOM 1232 CA GLY A 75 15.166 22.604 8.535 1.00 0.00 C ATOM 1233 C GLY A 75 14.979 21.761 7.290 1.00 0.00 C ATOM 1234 O GLY A 75 13.994 21.033 7.165 1.00 0.00 O ATOM 0 H GLY A 75 17.229 22.797 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.131 21.961 9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.338 23.307 8.622 1.00 0.00 H new ATOM 1238 N LYS A 76 15.927 21.859 6.363 1.00 0.00 N ATOM 1239 CA LYS A 76 15.863 21.100 5.120 1.00 0.00 C ATOM 1240 C LYS A 76 16.349 19.670 5.330 1.00 0.00 C ATOM 1241 O LYS A 76 16.403 18.877 4.389 1.00 0.00 O ATOM 1242 CB LYS A 76 16.705 21.782 4.039 1.00 0.00 C ATOM 1243 CG LYS A 76 15.909 22.177 2.807 1.00 0.00 C ATOM 1244 CD LYS A 76 14.850 23.216 3.137 1.00 0.00 C ATOM 1245 CE LYS A 76 14.632 24.177 1.979 1.00 0.00 C ATOM 1246 NZ LYS A 76 13.758 25.319 2.363 1.00 0.00 N ATOM 0 H LYS A 76 16.749 22.457 6.450 1.00 0.00 H new ATOM 0 HA LYS A 76 14.823 21.068 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.171 22.672 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.511 21.111 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.584 22.572 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.433 21.294 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.912 22.717 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.151 23.775 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.595 24.556 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.183 23.642 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.634 25.951 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.831 24.960 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.198 25.846 3.144 1.00 0.00 H new ATOM 1260 N LEU A 77 16.699 19.345 6.570 1.00 0.00 N ATOM 1261 CA LEU A 77 17.179 18.008 6.904 1.00 0.00 C ATOM 1262 C LEU A 77 16.235 16.940 6.362 1.00 0.00 C ATOM 1263 O LEU A 77 16.674 15.940 5.793 1.00 0.00 O ATOM 1264 CB LEU A 77 17.318 17.860 8.420 1.00 0.00 C ATOM 1265 CG LEU A 77 17.531 16.437 8.938 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.572 16.423 10.047 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.218 15.846 9.430 1.00 0.00 C ATOM 0 H LEU A 77 16.659 19.989 7.360 1.00 0.00 H new ATOM 0 HA LEU A 77 18.156 17.872 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.156 18.475 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.421 18.265 8.888 1.00 0.00 H new ATOM 0 HG LEU A 77 17.897 15.823 8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.710 15.402 10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.518 16.805 9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.235 17.052 10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.389 14.833 9.795 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.822 16.461 10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.501 15.820 8.610 1.00 0.00 H new ATOM 1279 N ASP A 78 14.937 17.159 6.540 1.00 0.00 N ATOM 1280 CA ASP A 78 13.930 16.217 6.065 1.00 0.00 C ATOM 1281 C ASP A 78 14.131 15.906 4.585 1.00 0.00 C ATOM 1282 O ASP A 78 14.048 14.752 4.166 1.00 0.00 O ATOM 1283 CB ASP A 78 12.526 16.778 6.295 1.00 0.00 C ATOM 1284 CG ASP A 78 11.439 15.800 5.895 1.00 0.00 C ATOM 1285 OD1 ASP A 78 11.280 14.774 6.588 1.00 0.00 O ATOM 1286 OD2 ASP A 78 10.747 16.061 4.889 1.00 0.00 O ATOM 0 H ASP A 78 14.557 17.981 7.010 1.00 0.00 H new ATOM 0 HA ASP A 78 14.040 15.291 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.409 17.036 7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.409 17.700 5.726 1.00 0.00 H new ATOM 1291 N SER A 79 14.395 16.945 3.798 1.00 0.00 N ATOM 1292 CA SER A 79 14.603 16.784 2.364 1.00 0.00 C ATOM 1293 C SER A 79 15.903 16.037 2.084 1.00 0.00 C ATOM 1294 O SER A 79 15.918 15.045 1.354 1.00 0.00 O ATOM 1295 CB SER A 79 14.627 18.150 1.675 1.00 0.00 C ATOM 1296 OG SER A 79 14.915 18.018 0.293 1.00 0.00 O ATOM 0 H SER A 79 14.470 17.907 4.130 1.00 0.00 H new ATOM 0 HA SER A 79 13.775 16.198 1.965 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.663 18.643 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.376 18.786 2.147 1.00 0.00 H new ATOM 0 HG SER A 79 14.923 18.904 -0.126 1.00 0.00 H new ATOM 1302 N LEU A 80 16.993 16.520 2.670 1.00 0.00 N ATOM 1303 CA LEU A 80 18.300 15.899 2.485 1.00 0.00 C ATOM 1304 C LEU A 80 18.255 14.417 2.845 1.00 0.00 C ATOM 1305 O LEU A 80 18.676 13.564 2.062 1.00 0.00 O ATOM 1306 CB LEU A 80 19.351 16.611 3.338 1.00 0.00 C ATOM 1307 CG LEU A 80 20.024 17.826 2.699 1.00 0.00 C ATOM 1308 CD1 LEU A 80 21.010 17.387 1.628 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.981 18.767 2.114 1.00 0.00 C ATOM 0 H LEU A 80 16.998 17.340 3.277 1.00 0.00 H new ATOM 0 HA LEU A 80 18.572 15.990 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.880 16.929 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.124 15.890 3.603 1.00 0.00 H new ATOM 0 HG LEU A 80 20.574 18.362 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.480 18.265 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.776 16.753 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.483 16.828 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.478 19.626 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.403 18.242 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.314 19.108 2.906 1.00 0.00 H new ATOM 1321 N LEU A 81 17.740 14.118 4.032 1.00 0.00 N ATOM 1322 CA LEU A 81 17.637 12.738 4.496 1.00 0.00 C ATOM 1323 C LEU A 81 16.709 11.929 3.595 1.00 0.00 C ATOM 1324 O LEU A 81 16.995 10.777 3.270 1.00 0.00 O ATOM 1325 CB LEU A 81 17.126 12.701 5.937 1.00 0.00 C ATOM 1326 CG LEU A 81 18.131 12.238 6.993 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.832 13.431 7.623 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.438 11.401 8.058 1.00 0.00 C ATOM 0 H LEU A 81 17.387 14.812 4.691 1.00 0.00 H new ATOM 0 HA LEU A 81 18.631 12.292 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.782 13.700 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.258 12.043 5.977 1.00 0.00 H new ATOM 0 HG LEU A 81 18.883 11.618 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.543 13.082 8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.362 13.990 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.094 14.078 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.168 11.080 8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.665 11.997 8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.984 10.525 7.594 1.00 0.00 H new ATOM 1340 N GLN A 82 15.600 12.541 3.193 1.00 0.00 N ATOM 1341 CA GLN A 82 14.632 11.877 2.328 1.00 0.00 C ATOM 1342 C GLN A 82 15.217 11.636 0.940 1.00 0.00 C ATOM 1343 O GLN A 82 14.773 10.746 0.215 1.00 0.00 O ATOM 1344 CB GLN A 82 13.357 12.714 2.218 1.00 0.00 C ATOM 1345 CG GLN A 82 12.339 12.147 1.241 1.00 0.00 C ATOM 1346 CD GLN A 82 11.033 12.917 1.246 1.00 0.00 C ATOM 1347 OE1 GLN A 82 10.164 12.683 2.087 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.888 13.843 0.306 1.00 0.00 N ATOM 0 H GLN A 82 15.349 13.495 3.452 1.00 0.00 H new ATOM 0 HA GLN A 82 14.388 10.912 2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.898 12.793 3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.622 13.725 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.760 12.160 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.143 11.104 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.634 14.004 -0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.031 14.394 0.261 1.00 0.00 H new ATOM 1357 N ASP A 83 16.216 12.434 0.578 1.00 0.00 N ATOM 1358 CA ASP A 83 16.863 12.306 -0.723 1.00 0.00 C ATOM 1359 C ASP A 83 18.005 11.296 -0.665 1.00 0.00 C ATOM 1360 O ASP A 83 18.150 10.457 -1.554 1.00 0.00 O ATOM 1361 CB ASP A 83 17.390 13.664 -1.189 1.00 0.00 C ATOM 1362 CG ASP A 83 16.310 14.516 -1.828 1.00 0.00 C ATOM 1363 OD1 ASP A 83 15.210 13.984 -2.086 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.566 15.714 -2.070 1.00 0.00 O ATOM 0 H ASP A 83 16.595 13.176 1.167 1.00 0.00 H new ATOM 0 HA ASP A 83 16.121 11.948 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.814 14.198 -0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.198 13.511 -1.904 1.00 0.00 H new ATOM 1369 N VAL A 84 18.814 11.384 0.386 1.00 0.00 N ATOM 1370 CA VAL A 84 19.943 10.479 0.560 1.00 0.00 C ATOM 1371 C VAL A 84 19.475 9.093 0.991 1.00 0.00 C ATOM 1372 O VAL A 84 20.169 8.098 0.780 1.00 0.00 O ATOM 1373 CB VAL A 84 20.940 11.018 1.602 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.373 12.432 1.245 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.330 10.975 2.995 1.00 0.00 C ATOM 0 H VAL A 84 18.708 12.074 1.130 1.00 0.00 H new ATOM 0 HA VAL A 84 20.442 10.407 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 84 21.824 10.380 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.078 12.796 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.852 12.430 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.500 13.085 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 84 21.048 11.360 3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.429 11.588 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.075 9.946 3.249 1.00 0.00 H new ATOM 1385 N HIS A 85 18.292 9.035 1.595 1.00 0.00 N ATOM 1386 CA HIS A 85 17.729 7.771 2.055 1.00 0.00 C ATOM 1387 C HIS A 85 17.677 6.754 0.918 1.00 0.00 C ATOM 1388 O HIS A 85 18.393 5.752 0.936 1.00 0.00 O ATOM 1389 CB HIS A 85 16.327 7.989 2.624 1.00 0.00 C ATOM 1390 CG HIS A 85 15.607 6.716 2.947 1.00 0.00 C ATOM 1391 ND1 HIS A 85 14.953 5.959 1.998 1.00 0.00 N ATOM 1392 CD2 HIS A 85 15.442 6.067 4.123 1.00 0.00 C ATOM 1393 CE1 HIS A 85 14.415 4.900 2.576 1.00 0.00 C ATOM 1394 NE2 HIS A 85 14.698 4.942 3.866 1.00 0.00 N ATOM 0 H HIS A 85 17.705 9.849 1.777 1.00 0.00 H new ATOM 0 HA HIS A 85 18.374 7.379 2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.401 8.594 3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.737 8.558 1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.824 6.376 5.085 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.842 4.131 2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.410 4.251 4.559 1.00 0.00 H new