USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 800 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: B 23 ASN : amide:sc= -4.13! C(o=-7.5!,f=-16!) USER MOD Set 1.2: B 55 GLN : amide:sc= -3.39! K(o=-7.5!,f=-4.8) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.0484 X(o=0.1,f=-0.11) USER MOD Set 2.2: B 28 LYS NZ :NH3+ 147:sc= 0.0535 (180deg=0.0905) USER MOD Set 3.1: A 28 ASN : amide:sc= -6.41! C(o=-6.6!,f=-14!) USER MOD Set 3.2: B 10 SER OG : rot -170:sc= -0.169 USER MOD Set 4.1: A 21 ASN : amide:sc= -1.27 X(o=-2.3,f=-2) USER MOD Set 4.2: A 52 ASN : amide:sc= -1.02 K(o=-2.3,f=-1.5) USER MOD Set 5.1: A 23 ASN : amide:sc= -1.83! C(o=-3.3!,f=-6.6!) USER MOD Set 5.2: A 26 GLN : amide:sc= -1 K(o=-3.3,f=-6.7!) USER MOD Set 5.3: A 55 GLN : amide:sc= -0.489 K(o=-3.3,f=-8.7!) USER MOD Set 6.1: A 14 TYR OH : rot 180:sc= -1.26 USER MOD Set 6.2: A 18 HIS : no HD1:sc= -25! C(o=-26!,f=-24!) USER MOD Single : A 6 ASN : amide:sc=-0.00206 X(o=-0.0021,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.33! C(o=-2.3!,f=-1.8!) USER MOD Single : A 10 GLN : amide:sc= -2.42 K(o=-2.4,f=-10!) USER MOD Single : A 32 GLN : amide:sc= -0.52 K(o=-0.52,f=-4.2!) USER MOD Single : A 33 SER OG : rot 4:sc= 0.287 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0.997 (180deg=0.988) USER MOD Single : A 39 SER OG : rot -31:sc= 0.235 USER MOD Single : A 40 GLN : amide:sc= 0.00643 X(o=0.0064,f=0) USER MOD Single : A 41 SER OG : rot -98:sc= 0.654 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.0406) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -2.12 K(o=-2.1,f=-6.1!) USER MOD Single : B 7 LYS NZ :NH3+ -177:sc= 0.00576 (180deg=0.00422) USER MOD Single : B 18 THR OG1 : rot -75:sc= 0.5 USER MOD Single : B 21 ASN : amide:sc= -1.73! C(o=-1.7!,f=-2.7!) USER MOD Single : B 26 GLN : amide:sc= -4.37! C(o=-4.4!,f=-8.8!) USER MOD Single : B 27 LYS NZ :NH3+ 169:sc= 0.859 (180deg=0.735) USER MOD Single : B 33 SER OG : rot -15:sc= -2.17! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -121:sc= -1.22 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -174:sc= -1.5! (180deg=-1.52!) USER MOD Single : B 50 LYS NZ :NH3+ -177:sc= 0.00549 (180deg=0.00512) USER MOD Single : B 52 ASN : amide:sc= -5.03! C(o=-5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 3.443 -13.950 7.068 1.00 0.00 N ATOM 68 CA PHE A 5 3.706 -13.182 5.802 1.00 0.00 C ATOM 69 C PHE A 5 2.415 -12.630 5.173 1.00 0.00 C ATOM 70 O PHE A 5 2.469 -11.633 4.474 1.00 0.00 O ATOM 71 CB PHE A 5 4.422 -14.144 4.833 1.00 0.00 C ATOM 72 CG PHE A 5 5.827 -14.490 5.331 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.508 -13.653 6.235 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.444 -15.665 4.881 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.789 -13.993 6.681 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.725 -16.004 5.329 1.00 0.00 C ATOM 77 CZ PHE A 5 8.396 -15.168 6.229 1.00 0.00 C ATOM 0 HA PHE A 5 4.323 -12.311 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.837 -15.057 4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.486 -13.688 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.040 -12.745 6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.929 -16.311 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.309 -13.348 7.374 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.196 -16.911 4.980 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.385 -15.431 6.575 1.00 0.00 H new ATOM 87 N ASN A 6 1.264 -13.251 5.406 1.00 0.00 N ATOM 88 CA ASN A 6 -0.021 -12.729 4.803 1.00 0.00 C ATOM 89 C ASN A 6 -0.222 -11.243 5.156 1.00 0.00 C ATOM 90 O ASN A 6 -0.500 -10.439 4.283 1.00 0.00 O ATOM 91 CB ASN A 6 -1.157 -13.578 5.399 1.00 0.00 C ATOM 92 CG ASN A 6 -1.101 -15.007 4.842 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.999 -15.954 5.593 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.175 -15.209 3.552 1.00 0.00 N ATOM 0 H ASN A 6 1.163 -14.087 5.981 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.000 -12.801 3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.072 -13.600 6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.120 -13.126 5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.147 -16.159 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.261 -14.416 2.916 1.00 0.00 H new ATOM 101 N LYS A 7 -0.038 -10.865 6.415 1.00 0.00 N ATOM 102 CA LYS A 7 -0.180 -9.420 6.790 1.00 0.00 C ATOM 103 C LYS A 7 1.172 -8.693 6.731 1.00 0.00 C ATOM 104 O LYS A 7 1.186 -7.507 6.532 1.00 0.00 O ATOM 105 CB LYS A 7 -0.772 -9.364 8.191 1.00 0.00 C ATOM 106 CG LYS A 7 -0.732 -7.923 8.707 1.00 0.00 C ATOM 107 CD LYS A 7 -1.231 -7.908 10.132 1.00 0.00 C ATOM 108 CE LYS A 7 -1.015 -6.517 10.745 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.108 -6.714 12.223 1.00 0.00 N ATOM 0 H LYS A 7 0.201 -11.492 7.183 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.836 -8.912 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.799 -9.728 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.211 -10.017 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.284 -7.532 8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.352 -7.280 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.289 -8.167 10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.704 -8.660 10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.044 -6.111 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.769 -5.812 10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.970 -5.802 12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.046 -7.094 12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.374 -7.383 12.531 1.00 0.00 H new ATOM 123 N GLU A 8 2.301 -9.371 6.875 1.00 0.00 N ATOM 124 CA GLU A 8 3.619 -8.644 6.762 1.00 0.00 C ATOM 125 C GLU A 8 3.681 -8.003 5.380 1.00 0.00 C ATOM 126 O GLU A 8 4.085 -6.871 5.245 1.00 0.00 O ATOM 127 CB GLU A 8 4.744 -9.667 6.910 1.00 0.00 C ATOM 128 CG GLU A 8 4.923 -10.063 8.380 1.00 0.00 C ATOM 129 CD GLU A 8 5.270 -8.830 9.232 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.291 -8.209 8.966 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.513 -8.534 10.141 1.00 0.00 O ATOM 0 H GLU A 8 2.366 -10.372 7.061 1.00 0.00 H new ATOM 0 HA GLU A 8 3.720 -7.879 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.519 -10.552 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.674 -9.251 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.008 -10.524 8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.714 -10.808 8.468 1.00 0.00 H new ATOM 138 N GLN A 9 3.201 -8.710 4.367 1.00 0.00 N ATOM 139 CA GLN A 9 3.133 -8.125 3.000 1.00 0.00 C ATOM 140 C GLN A 9 2.118 -6.969 3.027 1.00 0.00 C ATOM 141 O GLN A 9 2.336 -5.941 2.445 1.00 0.00 O ATOM 142 CB GLN A 9 2.619 -9.218 2.064 1.00 0.00 C ATOM 143 CG GLN A 9 3.624 -10.357 1.902 1.00 0.00 C ATOM 144 CD GLN A 9 3.001 -11.429 1.001 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.125 -11.367 -0.206 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.325 -12.409 1.536 1.00 0.00 N ATOM 0 H GLN A 9 2.856 -9.667 4.442 1.00 0.00 H new ATOM 0 HA GLN A 9 4.105 -7.760 2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.681 -9.615 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.402 -8.785 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.551 -9.986 1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.878 -10.780 2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.220 -12.463 2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.902 -13.121 0.941 1.00 0.00 H new ATOM 155 N GLN A 10 1.022 -7.152 3.746 1.00 0.00 N ATOM 156 CA GLN A 10 -0.038 -6.087 3.894 1.00 0.00 C ATOM 157 C GLN A 10 0.545 -4.861 4.605 1.00 0.00 C ATOM 158 O GLN A 10 0.373 -3.744 4.158 1.00 0.00 O ATOM 159 CB GLN A 10 -1.110 -6.746 4.769 1.00 0.00 C ATOM 160 CG GLN A 10 -2.477 -6.637 4.103 1.00 0.00 C ATOM 161 CD GLN A 10 -2.898 -7.989 3.525 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.104 -8.114 2.344 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.061 -9.014 4.322 1.00 0.00 N ATOM 0 H GLN A 10 0.815 -8.016 4.247 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.430 -5.744 2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.861 -7.794 4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.135 -6.267 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.216 -6.299 4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.444 -5.890 3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.888 -8.915 5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.361 -9.912 3.943 1.00 0.00 H new ATOM 172 N ASN A 11 1.245 -5.081 5.700 1.00 0.00 N ATOM 173 CA ASN A 11 1.873 -3.962 6.460 1.00 0.00 C ATOM 174 C ASN A 11 3.009 -3.363 5.632 1.00 0.00 C ATOM 175 O ASN A 11 3.111 -2.170 5.516 1.00 0.00 O ATOM 176 CB ASN A 11 2.420 -4.590 7.751 1.00 0.00 C ATOM 177 CG ASN A 11 2.779 -3.482 8.746 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.910 -2.912 9.375 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.030 -3.142 8.911 1.00 0.00 N ATOM 0 H ASN A 11 1.406 -6.006 6.099 1.00 0.00 H new ATOM 0 HA ASN A 11 1.166 -3.162 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.677 -5.258 8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.300 -5.194 7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.275 -2.400 9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.762 -3.619 8.384 1.00 0.00 H new ATOM 186 N ALA A 12 3.842 -4.197 5.039 1.00 0.00 N ATOM 187 CA ALA A 12 4.961 -3.681 4.187 1.00 0.00 C ATOM 188 C ALA A 12 4.384 -2.956 2.972 1.00 0.00 C ATOM 189 O ALA A 12 4.845 -1.894 2.618 1.00 0.00 O ATOM 190 CB ALA A 12 5.756 -4.904 3.743 1.00 0.00 C ATOM 0 H ALA A 12 3.791 -5.213 5.112 1.00 0.00 H new ATOM 0 HA ALA A 12 5.593 -2.977 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.589 -4.588 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.139 -5.427 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.108 -5.573 3.176 1.00 0.00 H new ATOM 196 N PHE A 13 3.348 -3.511 2.364 1.00 0.00 N ATOM 197 CA PHE A 13 2.683 -2.852 1.194 1.00 0.00 C ATOM 198 C PHE A 13 2.167 -1.493 1.645 1.00 0.00 C ATOM 199 O PHE A 13 2.515 -0.471 1.085 1.00 0.00 O ATOM 200 CB PHE A 13 1.498 -3.775 0.813 1.00 0.00 C ATOM 201 CG PHE A 13 0.559 -3.064 -0.128 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.059 -2.444 -1.273 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.817 -3.065 0.121 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.193 -1.834 -2.160 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.682 -2.442 -0.768 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.178 -1.834 -1.905 1.00 0.00 C ATOM 0 H PHE A 13 2.936 -4.403 2.638 1.00 0.00 H new ATOM 0 HA PHE A 13 3.355 -2.707 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.873 -4.684 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.961 -4.078 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.122 -2.441 -1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.206 -3.550 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.577 -1.358 -3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.744 -2.432 -0.573 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.852 -1.356 -2.600 1.00 0.00 H new ATOM 216 N TYR A 14 1.356 -1.499 2.679 1.00 0.00 N ATOM 217 CA TYR A 14 0.799 -0.240 3.230 1.00 0.00 C ATOM 218 C TYR A 14 1.928 0.726 3.607 1.00 0.00 C ATOM 219 O TYR A 14 1.964 1.838 3.141 1.00 0.00 O ATOM 220 CB TYR A 14 0.058 -0.673 4.475 1.00 0.00 C ATOM 221 CG TYR A 14 -0.562 0.526 5.119 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.829 0.942 4.732 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.124 1.200 6.132 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.414 2.013 5.352 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.460 2.300 6.751 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.734 2.710 6.369 1.00 0.00 C ATOM 227 OH TYR A 14 -2.328 3.791 6.993 1.00 0.00 O ATOM 0 H TYR A 14 1.057 -2.344 3.166 1.00 0.00 H new ATOM 0 HA TYR A 14 0.161 0.278 2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.711 -1.402 4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.742 -1.161 5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.352 0.422 3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.106 0.868 6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.405 2.326 5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.073 2.834 7.524 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.719 4.153 7.670 1.00 0.00 H new ATOM 237 N GLU A 15 2.860 0.286 4.438 1.00 0.00 N ATOM 238 CA GLU A 15 3.996 1.173 4.844 1.00 0.00 C ATOM 239 C GLU A 15 4.715 1.677 3.595 1.00 0.00 C ATOM 240 O GLU A 15 5.007 2.842 3.513 1.00 0.00 O ATOM 241 CB GLU A 15 4.922 0.328 5.726 1.00 0.00 C ATOM 242 CG GLU A 15 4.264 0.054 7.095 1.00 0.00 C ATOM 243 CD GLU A 15 3.960 1.370 7.826 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.893 2.114 8.092 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.799 1.603 8.120 1.00 0.00 O ATOM 0 H GLU A 15 2.876 -0.648 4.847 1.00 0.00 H new ATOM 0 HA GLU A 15 3.656 2.048 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.146 -0.616 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.870 0.846 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.342 -0.511 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.925 -0.562 7.705 1.00 0.00 H new ATOM 252 N ILE A 16 4.938 0.829 2.594 1.00 0.00 N ATOM 253 CA ILE A 16 5.575 1.319 1.317 1.00 0.00 C ATOM 254 C ILE A 16 4.741 2.491 0.764 1.00 0.00 C ATOM 255 O ILE A 16 5.266 3.566 0.556 1.00 0.00 O ATOM 256 CB ILE A 16 5.613 0.088 0.368 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.946 -0.627 0.607 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.508 0.490 -1.114 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.793 -2.128 0.399 1.00 0.00 C ATOM 0 H ILE A 16 4.708 -0.165 2.611 1.00 0.00 H new ATOM 0 HA ILE A 16 6.587 1.703 1.449 1.00 0.00 H new ATOM 0 HB ILE A 16 4.760 -0.555 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.702 -0.235 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.295 -0.428 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.539 -0.404 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.569 1.017 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.342 1.142 -1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.750 -2.619 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.053 -2.518 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.466 -2.322 -0.623 1.00 0.00 H new ATOM 271 N LEU A 17 3.447 2.291 0.581 1.00 0.00 N ATOM 272 CA LEU A 17 2.544 3.408 0.079 1.00 0.00 C ATOM 273 C LEU A 17 2.537 4.609 1.054 1.00 0.00 C ATOM 274 O LEU A 17 2.472 5.751 0.632 1.00 0.00 O ATOM 275 CB LEU A 17 1.123 2.830 0.004 1.00 0.00 C ATOM 276 CG LEU A 17 1.071 1.669 -0.986 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.286 0.524 -0.403 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.355 2.057 -2.257 1.00 0.00 C ATOM 0 H LEU A 17 2.972 1.405 0.756 1.00 0.00 H new ATOM 0 HA LEU A 17 2.901 3.762 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.810 2.489 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.423 3.608 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 17 2.105 1.393 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.256 -0.298 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.763 0.187 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.730 0.853 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.337 1.207 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.667 2.356 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.877 2.889 -2.729 1.00 0.00 H new ATOM 290 N HIS A 18 2.582 4.346 2.351 1.00 0.00 N ATOM 291 CA HIS A 18 2.555 5.445 3.379 1.00 0.00 C ATOM 292 C HIS A 18 3.976 5.971 3.731 1.00 0.00 C ATOM 293 O HIS A 18 4.098 6.862 4.557 1.00 0.00 O ATOM 294 CB HIS A 18 1.877 4.822 4.624 1.00 0.00 C ATOM 295 CG HIS A 18 0.396 4.605 4.370 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.579 5.507 4.784 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.296 3.606 3.726 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.771 5.021 4.370 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.638 3.898 3.715 1.00 0.00 N ATOM 0 H HIS A 18 2.637 3.405 2.740 1.00 0.00 H new ATOM 0 HA HIS A 18 2.016 6.313 3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.353 3.872 4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.012 5.477 5.485 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.150 2.723 3.293 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.719 5.503 4.558 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.381 3.349 3.283 1.00 0.00 H new ATOM 307 N LEU A 19 5.046 5.454 3.119 1.00 0.00 N ATOM 308 CA LEU A 19 6.431 5.967 3.444 1.00 0.00 C ATOM 309 C LEU A 19 6.565 7.407 2.908 1.00 0.00 C ATOM 310 O LEU A 19 6.260 7.659 1.754 1.00 0.00 O ATOM 311 CB LEU A 19 7.440 5.032 2.738 1.00 0.00 C ATOM 312 CG LEU A 19 7.857 3.860 3.656 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.761 2.905 2.876 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.620 4.369 4.888 1.00 0.00 C ATOM 0 H LEU A 19 5.013 4.711 2.421 1.00 0.00 H new ATOM 0 HA LEU A 19 6.617 5.978 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.997 4.640 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.323 5.600 2.446 1.00 0.00 H new ATOM 0 HG LEU A 19 6.955 3.347 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.057 2.077 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.221 2.517 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.650 3.439 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.901 3.524 5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.518 4.897 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.983 5.047 5.456 1.00 0.00 H new ATOM 326 N PRO A 20 6.985 8.318 3.776 1.00 0.00 N ATOM 327 CA PRO A 20 7.113 9.755 3.386 1.00 0.00 C ATOM 328 C PRO A 20 8.264 10.041 2.393 1.00 0.00 C ATOM 329 O PRO A 20 8.321 11.133 1.854 1.00 0.00 O ATOM 330 CB PRO A 20 7.347 10.469 4.717 1.00 0.00 C ATOM 331 CG PRO A 20 7.928 9.436 5.621 1.00 0.00 C ATOM 332 CD PRO A 20 7.377 8.104 5.181 1.00 0.00 C ATOM 0 HA PRO A 20 6.226 10.093 2.851 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.026 11.313 4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.415 10.865 5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.016 9.441 5.563 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.663 9.639 6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.124 7.315 5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.524 7.805 5.791 1.00 0.00 H new ATOM 340 N ASN A 21 9.179 9.108 2.138 1.00 0.00 N ATOM 341 CA ASN A 21 10.292 9.409 1.174 1.00 0.00 C ATOM 342 C ASN A 21 10.374 8.385 0.026 1.00 0.00 C ATOM 343 O ASN A 21 11.319 8.413 -0.747 1.00 0.00 O ATOM 344 CB ASN A 21 11.564 9.414 2.020 1.00 0.00 C ATOM 345 CG ASN A 21 11.662 10.737 2.796 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.535 11.802 2.225 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.886 10.719 4.082 1.00 0.00 N ATOM 0 H ASN A 21 9.196 8.175 2.550 1.00 0.00 H new ATOM 0 HA ASN A 21 10.131 10.365 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.555 8.574 2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.438 9.290 1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.953 11.595 4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.994 9.829 4.568 1.00 0.00 H new ATOM 354 N LEU A 22 9.382 7.522 -0.137 1.00 0.00 N ATOM 355 CA LEU A 22 9.413 6.564 -1.285 1.00 0.00 C ATOM 356 C LEU A 22 8.763 7.230 -2.492 1.00 0.00 C ATOM 357 O LEU A 22 7.770 7.923 -2.363 1.00 0.00 O ATOM 358 CB LEU A 22 8.599 5.310 -0.885 1.00 0.00 C ATOM 359 CG LEU A 22 9.450 4.275 -0.110 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.909 2.868 -0.386 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.913 4.309 -0.549 1.00 0.00 C ATOM 0 H LEU A 22 8.567 7.447 0.472 1.00 0.00 H new ATOM 0 HA LEU A 22 10.437 6.283 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.751 5.612 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.192 4.843 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 22 9.390 4.524 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.506 2.136 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.871 2.806 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.965 2.660 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.480 3.569 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.979 4.081 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.325 5.301 -0.364 1.00 0.00 H new ATOM 373 N ASN A 23 9.306 7.008 -3.661 1.00 0.00 N ATOM 374 CA ASN A 23 8.707 7.602 -4.904 1.00 0.00 C ATOM 375 C ASN A 23 7.933 6.520 -5.652 1.00 0.00 C ATOM 376 O ASN A 23 7.890 5.384 -5.227 1.00 0.00 O ATOM 377 CB ASN A 23 9.846 8.192 -5.773 1.00 0.00 C ATOM 378 CG ASN A 23 11.103 7.303 -5.800 1.00 0.00 C ATOM 379 OD1 ASN A 23 11.781 7.149 -4.803 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.456 6.728 -6.915 1.00 0.00 N ATOM 0 H ASN A 23 10.140 6.441 -3.813 1.00 0.00 H new ATOM 0 HA ASN A 23 8.012 8.404 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.484 8.331 -6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.113 9.178 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.297 6.152 -6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.891 6.854 -7.755 1.00 0.00 H new ATOM 387 N GLU A 24 7.312 6.863 -6.749 1.00 0.00 N ATOM 388 CA GLU A 24 6.517 5.838 -7.517 1.00 0.00 C ATOM 389 C GLU A 24 7.433 4.700 -8.003 1.00 0.00 C ATOM 390 O GLU A 24 7.048 3.555 -7.979 1.00 0.00 O ATOM 391 CB GLU A 24 5.895 6.590 -8.708 1.00 0.00 C ATOM 392 CG GLU A 24 4.475 7.087 -8.354 1.00 0.00 C ATOM 393 CD GLU A 24 4.497 8.080 -7.179 1.00 0.00 C ATOM 394 OE1 GLU A 24 5.262 9.033 -7.226 1.00 0.00 O ATOM 395 OE2 GLU A 24 3.740 7.867 -6.247 1.00 0.00 O ATOM 0 H GLU A 24 7.315 7.800 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 24 5.748 5.378 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.525 7.437 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.851 5.933 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.029 7.565 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.844 6.235 -8.099 1.00 0.00 H new ATOM 402 N GLU A 25 8.650 4.999 -8.412 1.00 0.00 N ATOM 403 CA GLU A 25 9.577 3.901 -8.866 1.00 0.00 C ATOM 404 C GLU A 25 9.904 2.960 -7.687 1.00 0.00 C ATOM 405 O GLU A 25 9.865 1.754 -7.832 1.00 0.00 O ATOM 406 CB GLU A 25 10.845 4.609 -9.360 1.00 0.00 C ATOM 407 CG GLU A 25 11.790 3.595 -10.017 1.00 0.00 C ATOM 408 CD GLU A 25 13.132 4.265 -10.322 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.236 4.901 -11.360 1.00 0.00 O ATOM 410 OE2 GLU A 25 14.034 4.133 -9.511 1.00 0.00 O ATOM 0 H GLU A 25 9.038 5.942 -8.451 1.00 0.00 H new ATOM 0 HA GLU A 25 9.131 3.289 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.581 5.389 -10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.347 5.098 -8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.940 2.742 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.346 3.212 -10.936 1.00 0.00 H new ATOM 417 N GLN A 26 10.203 3.511 -6.523 1.00 0.00 N ATOM 418 CA GLN A 26 10.524 2.658 -5.321 1.00 0.00 C ATOM 419 C GLN A 26 9.250 2.038 -4.726 1.00 0.00 C ATOM 420 O GLN A 26 9.163 0.843 -4.567 1.00 0.00 O ATOM 421 CB GLN A 26 11.194 3.603 -4.306 1.00 0.00 C ATOM 422 CG GLN A 26 12.547 4.098 -4.851 1.00 0.00 C ATOM 423 CD GLN A 26 13.642 3.034 -4.653 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.404 1.849 -4.798 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.848 3.412 -4.328 1.00 0.00 N ATOM 0 H GLN A 26 10.238 4.516 -6.355 1.00 0.00 H new ATOM 0 HA GLN A 26 11.175 1.826 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.542 4.453 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.343 3.084 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.452 4.335 -5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.833 5.019 -4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.056 4.403 -4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.583 2.717 -4.197 1.00 0.00 H new ATOM 434 N ARG A 27 8.279 2.851 -4.394 1.00 0.00 N ATOM 435 CA ARG A 27 6.994 2.353 -3.778 1.00 0.00 C ATOM 436 C ARG A 27 6.242 1.343 -4.679 1.00 0.00 C ATOM 437 O ARG A 27 5.756 0.338 -4.197 1.00 0.00 O ATOM 438 CB ARG A 27 6.143 3.621 -3.640 1.00 0.00 C ATOM 439 CG ARG A 27 5.172 3.521 -2.470 1.00 0.00 C ATOM 440 CD ARG A 27 4.915 4.919 -1.860 1.00 0.00 C ATOM 441 NE ARG A 27 4.731 5.859 -3.001 1.00 0.00 N ATOM 442 CZ ARG A 27 4.933 7.152 -2.855 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.641 7.755 -1.722 1.00 0.00 N ATOM 444 NH2 ARG A 27 5.407 7.848 -3.858 1.00 0.00 N ATOM 0 H ARG A 27 8.317 3.862 -4.524 1.00 0.00 H new ATOM 0 HA ARG A 27 7.191 1.829 -2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.795 4.484 -3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.586 3.788 -4.562 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.231 3.086 -2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.577 2.854 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.031 4.906 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.753 5.228 -1.235 1.00 0.00 H new ATOM 0 HE ARG A 27 4.444 5.495 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.254 7.220 -0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.802 8.757 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.617 7.388 -4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.566 8.850 -3.753 1.00 0.00 H new ATOM 458 N ASN A 28 6.111 1.620 -5.973 1.00 0.00 N ATOM 459 CA ASN A 28 5.342 0.690 -6.890 1.00 0.00 C ATOM 460 C ASN A 28 6.155 -0.570 -7.199 1.00 0.00 C ATOM 461 O ASN A 28 5.632 -1.670 -7.133 1.00 0.00 O ATOM 462 CB ASN A 28 5.057 1.460 -8.193 1.00 0.00 C ATOM 463 CG ASN A 28 4.375 2.813 -7.937 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.002 3.131 -6.830 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.200 3.632 -8.938 1.00 0.00 N ATOM 0 H ASN A 28 6.502 2.445 -6.429 1.00 0.00 H new ATOM 0 HA ASN A 28 4.416 0.375 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.993 1.623 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.423 0.853 -8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.751 4.535 -8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.512 3.369 -9.873 1.00 0.00 H new ATOM 472 N ALA A 29 7.436 -0.427 -7.510 1.00 0.00 N ATOM 473 CA ALA A 29 8.289 -1.636 -7.788 1.00 0.00 C ATOM 474 C ALA A 29 8.343 -2.514 -6.531 1.00 0.00 C ATOM 475 O ALA A 29 8.389 -3.727 -6.615 1.00 0.00 O ATOM 476 CB ALA A 29 9.672 -1.104 -8.117 1.00 0.00 C ATOM 0 H ALA A 29 7.919 0.468 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 29 7.895 -2.240 -8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.341 -1.938 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.614 -0.454 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.056 -0.538 -7.268 1.00 0.00 H new ATOM 482 N PHE A 30 8.293 -1.891 -5.367 1.00 0.00 N ATOM 483 CA PHE A 30 8.282 -2.648 -4.076 1.00 0.00 C ATOM 484 C PHE A 30 7.040 -3.513 -4.006 1.00 0.00 C ATOM 485 O PHE A 30 7.099 -4.651 -3.615 1.00 0.00 O ATOM 486 CB PHE A 30 8.234 -1.582 -2.997 1.00 0.00 C ATOM 487 CG PHE A 30 9.638 -1.280 -2.554 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.713 -1.237 -3.468 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.869 -1.060 -1.218 1.00 0.00 C ATOM 490 CE1 PHE A 30 12.000 -0.973 -3.008 1.00 0.00 C ATOM 491 CE2 PHE A 30 11.140 -0.808 -0.775 1.00 0.00 C ATOM 492 CZ PHE A 30 12.204 -0.767 -1.657 1.00 0.00 C ATOM 0 H PHE A 30 8.259 -0.877 -5.263 1.00 0.00 H new ATOM 0 HA PHE A 30 9.148 -3.302 -3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.756 -0.680 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.637 -1.926 -2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.538 -1.408 -4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.048 -1.086 -0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.829 -0.930 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.314 -0.639 0.277 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.200 -0.573 -1.288 1.00 0.00 H new ATOM 502 N ILE A 31 5.923 -2.973 -4.426 1.00 0.00 N ATOM 503 CA ILE A 31 4.656 -3.758 -4.452 1.00 0.00 C ATOM 504 C ILE A 31 4.816 -4.940 -5.429 1.00 0.00 C ATOM 505 O ILE A 31 4.245 -5.981 -5.207 1.00 0.00 O ATOM 506 CB ILE A 31 3.590 -2.742 -4.862 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.396 -1.779 -3.690 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.276 -3.439 -5.172 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.748 -0.495 -4.168 1.00 0.00 C ATOM 0 H ILE A 31 5.837 -2.011 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 31 4.380 -4.214 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 31 3.908 -2.209 -5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.775 -2.246 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.358 -1.559 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.531 -2.698 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.423 -4.145 -5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.931 -3.974 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.616 0.182 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.385 -0.022 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.777 -0.720 -4.609 1.00 0.00 H new ATOM 521 N GLN A 32 5.638 -4.809 -6.470 1.00 0.00 N ATOM 522 CA GLN A 32 5.871 -5.976 -7.393 1.00 0.00 C ATOM 523 C GLN A 32 6.743 -7.029 -6.670 1.00 0.00 C ATOM 524 O GLN A 32 6.418 -8.203 -6.666 1.00 0.00 O ATOM 525 CB GLN A 32 6.583 -5.420 -8.636 1.00 0.00 C ATOM 526 CG GLN A 32 5.641 -4.481 -9.401 1.00 0.00 C ATOM 527 CD GLN A 32 6.333 -3.971 -10.670 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.033 -2.979 -10.634 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.168 -4.610 -11.797 1.00 0.00 N ATOM 0 H GLN A 32 6.145 -3.957 -6.709 1.00 0.00 H new ATOM 0 HA GLN A 32 4.940 -6.463 -7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.484 -4.883 -8.340 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.898 -6.239 -9.282 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.723 -5.007 -9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.358 -3.640 -8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.581 -5.443 -11.830 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.627 -4.276 -12.645 1.00 0.00 H new ATOM 538 N SER A 33 7.820 -6.604 -6.012 1.00 0.00 N ATOM 539 CA SER A 33 8.696 -7.563 -5.233 1.00 0.00 C ATOM 540 C SER A 33 7.949 -8.094 -3.992 1.00 0.00 C ATOM 541 O SER A 33 8.176 -9.202 -3.555 1.00 0.00 O ATOM 542 CB SER A 33 9.947 -6.762 -4.832 1.00 0.00 C ATOM 543 OG SER A 33 9.573 -5.565 -4.167 1.00 0.00 O ATOM 0 H SER A 33 8.126 -5.632 -5.984 1.00 0.00 H new ATOM 0 HA SER A 33 8.965 -8.436 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.580 -7.365 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.535 -6.525 -5.719 1.00 0.00 H new ATOM 0 HG SER A 33 8.599 -5.540 -4.061 1.00 0.00 H new ATOM 549 N LEU A 34 7.061 -7.296 -3.439 1.00 0.00 N ATOM 550 CA LEU A 34 6.267 -7.700 -2.232 1.00 0.00 C ATOM 551 C LEU A 34 5.093 -8.622 -2.628 1.00 0.00 C ATOM 552 O LEU A 34 4.849 -9.617 -1.969 1.00 0.00 O ATOM 553 CB LEU A 34 5.800 -6.347 -1.658 1.00 0.00 C ATOM 554 CG LEU A 34 5.012 -6.514 -0.357 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.939 -6.843 0.793 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.298 -5.208 -0.043 1.00 0.00 C ATOM 0 H LEU A 34 6.850 -6.359 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 34 6.832 -8.282 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.667 -5.712 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.179 -5.836 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 34 4.298 -7.328 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.358 -6.957 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.467 -7.772 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.661 -6.036 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.733 -5.316 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.032 -4.410 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.617 -4.961 -0.857 1.00 0.00 H new ATOM 568 N LYS A 35 4.369 -8.298 -3.696 1.00 0.00 N ATOM 569 CA LYS A 35 3.206 -9.160 -4.138 1.00 0.00 C ATOM 570 C LYS A 35 3.710 -10.538 -4.609 1.00 0.00 C ATOM 571 O LYS A 35 3.029 -11.534 -4.432 1.00 0.00 O ATOM 572 CB LYS A 35 2.479 -8.382 -5.273 1.00 0.00 C ATOM 573 CG LYS A 35 1.377 -7.503 -4.688 1.00 0.00 C ATOM 574 CD LYS A 35 0.064 -7.735 -5.439 1.00 0.00 C ATOM 575 CE LYS A 35 -1.093 -7.792 -4.436 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.076 -9.182 -3.881 1.00 0.00 N ATOM 0 H LYS A 35 4.536 -7.476 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 35 2.513 -9.353 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.195 -7.766 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.052 -9.084 -5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.244 -7.729 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.663 -6.454 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.103 -6.933 -6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.115 -8.665 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.963 -7.053 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.044 -7.576 -4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.800 -9.268 -3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.277 -9.862 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.139 -9.383 -3.476 1.00 0.00 H new ATOM 590 N ASP A 36 4.902 -10.605 -5.184 1.00 0.00 N ATOM 591 CA ASP A 36 5.464 -11.921 -5.648 1.00 0.00 C ATOM 592 C ASP A 36 6.339 -12.596 -4.562 1.00 0.00 C ATOM 593 O ASP A 36 6.484 -13.808 -4.571 1.00 0.00 O ATOM 594 CB ASP A 36 6.293 -11.592 -6.899 1.00 0.00 C ATOM 595 CG ASP A 36 5.353 -11.313 -8.083 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.008 -12.258 -8.778 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.985 -10.165 -8.271 1.00 0.00 O ATOM 0 H ASP A 36 5.507 -9.800 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 36 4.667 -12.634 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.925 -10.724 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.957 -12.423 -7.137 1.00 0.00 H new ATOM 602 N ASP A 37 6.917 -11.842 -3.630 1.00 0.00 N ATOM 603 CA ASP A 37 7.771 -12.472 -2.559 1.00 0.00 C ATOM 604 C ASP A 37 7.181 -12.203 -1.155 1.00 0.00 C ATOM 605 O ASP A 37 7.405 -11.147 -0.580 1.00 0.00 O ATOM 606 CB ASP A 37 9.168 -11.837 -2.696 1.00 0.00 C ATOM 607 CG ASP A 37 10.243 -12.830 -2.231 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.155 -13.296 -1.103 1.00 0.00 O ATOM 609 OD2 ASP A 37 11.138 -13.105 -3.009 1.00 0.00 O ATOM 0 H ASP A 37 6.831 -10.827 -3.571 1.00 0.00 H new ATOM 0 HA ASP A 37 7.815 -13.555 -2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.347 -11.553 -3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.222 -10.925 -2.102 1.00 0.00 H new ATOM 614 N PRO A 38 6.441 -13.179 -0.642 1.00 0.00 N ATOM 615 CA PRO A 38 5.814 -13.051 0.710 1.00 0.00 C ATOM 616 C PRO A 38 6.863 -13.062 1.845 1.00 0.00 C ATOM 617 O PRO A 38 6.730 -12.327 2.807 1.00 0.00 O ATOM 618 CB PRO A 38 4.908 -14.279 0.794 1.00 0.00 C ATOM 619 CG PRO A 38 5.518 -15.270 -0.136 1.00 0.00 C ATOM 620 CD PRO A 38 6.107 -14.474 -1.263 1.00 0.00 C ATOM 0 HA PRO A 38 5.282 -12.107 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.863 -14.668 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.887 -14.037 0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.285 -15.858 0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.769 -15.972 -0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.991 -14.959 -1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.397 -14.354 -2.082 1.00 0.00 H new ATOM 628 N SER A 39 7.890 -13.892 1.744 1.00 0.00 N ATOM 629 CA SER A 39 8.939 -13.952 2.828 1.00 0.00 C ATOM 630 C SER A 39 9.788 -12.667 2.873 1.00 0.00 C ATOM 631 O SER A 39 10.217 -12.258 3.937 1.00 0.00 O ATOM 632 CB SER A 39 9.809 -15.180 2.505 1.00 0.00 C ATOM 633 OG SER A 39 10.573 -14.944 1.324 1.00 0.00 O ATOM 0 H SER A 39 8.045 -14.527 0.961 1.00 0.00 H new ATOM 0 HA SER A 39 8.478 -14.035 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.475 -15.393 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.177 -16.057 2.369 1.00 0.00 H new ATOM 0 HG SER A 39 10.074 -14.350 0.725 1.00 0.00 H new ATOM 639 N GLN A 40 10.018 -12.023 1.741 1.00 0.00 N ATOM 640 CA GLN A 40 10.825 -10.758 1.740 1.00 0.00 C ATOM 641 C GLN A 40 9.950 -9.533 2.070 1.00 0.00 C ATOM 642 O GLN A 40 10.437 -8.428 2.031 1.00 0.00 O ATOM 643 CB GLN A 40 11.383 -10.617 0.312 1.00 0.00 C ATOM 644 CG GLN A 40 12.712 -9.856 0.348 1.00 0.00 C ATOM 645 CD GLN A 40 13.075 -9.380 -1.063 1.00 0.00 C ATOM 646 OE1 GLN A 40 13.241 -10.178 -1.965 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.213 -8.102 -1.293 1.00 0.00 N ATOM 0 H GLN A 40 9.681 -12.321 0.826 1.00 0.00 H new ATOM 0 HA GLN A 40 11.611 -10.804 2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.529 -11.602 -0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.667 -10.088 -0.318 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.635 -9.002 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.500 -10.500 0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.074 -7.430 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.459 -7.776 -2.227 1.00 0.00 H new ATOM 656 N SER A 41 8.667 -9.704 2.365 1.00 0.00 N ATOM 657 CA SER A 41 7.782 -8.517 2.643 1.00 0.00 C ATOM 658 C SER A 41 8.304 -7.638 3.786 1.00 0.00 C ATOM 659 O SER A 41 8.374 -6.436 3.629 1.00 0.00 O ATOM 660 CB SER A 41 6.401 -9.090 2.975 1.00 0.00 C ATOM 661 OG SER A 41 6.455 -9.844 4.184 1.00 0.00 O ATOM 0 H SER A 41 8.203 -10.610 2.424 1.00 0.00 H new ATOM 0 HA SER A 41 7.753 -7.859 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.678 -8.280 3.076 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.057 -9.724 2.158 1.00 0.00 H new ATOM 0 HG SER A 41 6.537 -10.797 3.972 1.00 0.00 H new ATOM 667 N ALA A 42 8.698 -8.203 4.916 1.00 0.00 N ATOM 668 CA ALA A 42 9.252 -7.327 6.009 1.00 0.00 C ATOM 669 C ALA A 42 10.521 -6.650 5.497 1.00 0.00 C ATOM 670 O ALA A 42 10.691 -5.460 5.651 1.00 0.00 O ATOM 671 CB ALA A 42 9.623 -8.241 7.145 1.00 0.00 C ATOM 0 H ALA A 42 8.661 -9.201 5.123 1.00 0.00 H new ATOM 0 HA ALA A 42 8.531 -6.570 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.032 -7.653 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.736 -8.775 7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.370 -8.958 6.806 1.00 0.00 H new ATOM 677 N ASN A 43 11.386 -7.416 4.840 1.00 0.00 N ATOM 678 CA ASN A 43 12.631 -6.840 4.236 1.00 0.00 C ATOM 679 C ASN A 43 12.246 -5.741 3.262 1.00 0.00 C ATOM 680 O ASN A 43 12.935 -4.767 3.148 1.00 0.00 O ATOM 681 CB ASN A 43 13.281 -7.961 3.436 1.00 0.00 C ATOM 682 CG ASN A 43 14.511 -8.499 4.173 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.523 -9.634 4.606 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.552 -7.726 4.340 1.00 0.00 N ATOM 0 H ASN A 43 11.272 -8.420 4.702 1.00 0.00 H new ATOM 0 HA ASN A 43 13.293 -6.441 5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.564 -8.766 3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.571 -7.593 2.452 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.373 -8.076 4.833 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.543 -6.773 3.977 1.00 0.00 H new ATOM 691 N LEU A 44 11.138 -5.920 2.565 1.00 0.00 N ATOM 692 CA LEU A 44 10.659 -4.899 1.591 1.00 0.00 C ATOM 693 C LEU A 44 10.243 -3.656 2.313 1.00 0.00 C ATOM 694 O LEU A 44 10.591 -2.574 1.900 1.00 0.00 O ATOM 695 CB LEU A 44 9.500 -5.527 0.856 1.00 0.00 C ATOM 696 CG LEU A 44 10.091 -6.473 -0.159 1.00 0.00 C ATOM 697 CD1 LEU A 44 8.983 -7.298 -0.764 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.818 -5.642 -1.209 1.00 0.00 C ATOM 0 H LEU A 44 10.544 -6.746 2.639 1.00 0.00 H new ATOM 0 HA LEU A 44 11.441 -4.607 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.847 -6.060 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.893 -4.765 0.367 1.00 0.00 H new ATOM 0 HG LEU A 44 10.803 -7.159 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.401 -7.985 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.483 -7.866 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.263 -6.640 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.256 -6.303 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.112 -4.966 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.607 -5.062 -0.731 1.00 0.00 H new ATOM 710 N LEU A 45 9.560 -3.789 3.421 1.00 0.00 N ATOM 711 CA LEU A 45 9.234 -2.561 4.181 1.00 0.00 C ATOM 712 C LEU A 45 10.542 -2.015 4.761 1.00 0.00 C ATOM 713 O LEU A 45 10.789 -0.847 4.688 1.00 0.00 O ATOM 714 CB LEU A 45 8.258 -2.957 5.263 1.00 0.00 C ATOM 715 CG LEU A 45 8.107 -1.816 6.272 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.895 -0.466 5.546 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.920 -2.140 7.164 1.00 0.00 C ATOM 0 H LEU A 45 9.226 -4.668 3.817 1.00 0.00 H new ATOM 0 HA LEU A 45 8.781 -1.783 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.290 -3.195 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.608 -3.857 5.769 1.00 0.00 H new ATOM 0 HG LEU A 45 9.013 -1.721 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.790 0.331 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.753 -0.258 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.993 -0.518 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.786 -1.343 7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.020 -2.228 6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.101 -3.082 7.682 1.00 0.00 H new ATOM 729 N ALA A 46 11.388 -2.874 5.299 1.00 0.00 N ATOM 730 CA ALA A 46 12.713 -2.404 5.839 1.00 0.00 C ATOM 731 C ALA A 46 13.499 -1.683 4.746 1.00 0.00 C ATOM 732 O ALA A 46 14.021 -0.623 4.982 1.00 0.00 O ATOM 733 CB ALA A 46 13.483 -3.662 6.195 1.00 0.00 C ATOM 0 H ALA A 46 11.218 -3.876 5.387 1.00 0.00 H new ATOM 0 HA ALA A 46 12.570 -1.731 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.460 -3.390 6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.929 -4.228 6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.614 -4.273 5.302 1.00 0.00 H new ATOM 739 N GLU A 47 13.565 -2.249 3.545 1.00 0.00 N ATOM 740 CA GLU A 47 14.293 -1.569 2.432 1.00 0.00 C ATOM 741 C GLU A 47 13.500 -0.322 2.040 1.00 0.00 C ATOM 742 O GLU A 47 14.083 0.687 1.722 1.00 0.00 O ATOM 743 CB GLU A 47 14.472 -2.568 1.273 1.00 0.00 C ATOM 744 CG GLU A 47 13.162 -3.048 0.720 1.00 0.00 C ATOM 745 CD GLU A 47 13.432 -4.106 -0.354 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.725 -5.235 0.016 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.343 -3.772 -1.525 1.00 0.00 O ATOM 0 H GLU A 47 13.145 -3.146 3.302 1.00 0.00 H new ATOM 0 HA GLU A 47 15.291 -1.246 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.048 -2.096 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.051 -3.423 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.548 -3.468 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.604 -2.214 0.295 1.00 0.00 H new ATOM 754 N ALA A 48 12.172 -0.362 2.104 1.00 0.00 N ATOM 755 CA ALA A 48 11.376 0.864 1.807 1.00 0.00 C ATOM 756 C ALA A 48 11.661 1.914 2.897 1.00 0.00 C ATOM 757 O ALA A 48 11.821 3.080 2.605 1.00 0.00 O ATOM 758 CB ALA A 48 9.934 0.384 1.856 1.00 0.00 C ATOM 0 H ALA A 48 11.625 -1.188 2.347 1.00 0.00 H new ATOM 0 HA ALA A 48 11.610 1.329 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.265 1.219 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.784 -0.395 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.717 -0.017 2.846 1.00 0.00 H new ATOM 764 N LYS A 49 11.788 1.478 4.148 1.00 0.00 N ATOM 765 CA LYS A 49 12.140 2.399 5.276 1.00 0.00 C ATOM 766 C LYS A 49 13.591 2.856 5.071 1.00 0.00 C ATOM 767 O LYS A 49 13.941 4.002 5.264 1.00 0.00 O ATOM 768 CB LYS A 49 12.021 1.526 6.529 1.00 0.00 C ATOM 769 CG LYS A 49 10.665 1.765 7.170 1.00 0.00 C ATOM 770 CD LYS A 49 10.153 0.441 7.708 1.00 0.00 C ATOM 771 CE LYS A 49 8.788 0.639 8.361 1.00 0.00 C ATOM 772 NZ LYS A 49 9.055 1.172 9.735 1.00 0.00 N ATOM 0 H LYS A 49 11.658 0.505 4.426 1.00 0.00 H new ATOM 0 HA LYS A 49 11.508 3.285 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.134 0.474 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.818 1.766 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.749 2.495 7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.967 2.174 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.077 -0.285 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.858 0.036 8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.178 1.335 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.239 -0.301 8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.740 0.479 10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.074 1.345 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.536 2.063 9.869 1.00 0.00 H new ATOM 786 N LYS A 50 14.406 1.928 4.611 1.00 0.00 N ATOM 787 CA LYS A 50 15.838 2.195 4.283 1.00 0.00 C ATOM 788 C LYS A 50 15.882 3.238 3.153 1.00 0.00 C ATOM 789 O LYS A 50 16.674 4.160 3.181 1.00 0.00 O ATOM 790 CB LYS A 50 16.346 0.807 3.840 1.00 0.00 C ATOM 791 CG LYS A 50 17.615 0.874 2.984 1.00 0.00 C ATOM 792 CD LYS A 50 17.632 -0.349 2.049 1.00 0.00 C ATOM 793 CE LYS A 50 17.976 -1.615 2.852 1.00 0.00 C ATOM 794 NZ LYS A 50 18.116 -2.704 1.837 1.00 0.00 N ATOM 0 H LYS A 50 14.119 0.963 4.446 1.00 0.00 H new ATOM 0 HA LYS A 50 16.445 2.599 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.543 0.200 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.561 0.303 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.633 1.796 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.501 0.879 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.660 -0.465 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.364 -0.201 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.899 -1.483 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.192 -1.848 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.351 -3.597 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.221 -2.814 1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.874 -2.460 1.168 1.00 0.00 H new ATOM 808 N LEU A 51 14.981 3.112 2.187 1.00 0.00 N ATOM 809 CA LEU A 51 14.890 4.107 1.070 1.00 0.00 C ATOM 810 C LEU A 51 14.313 5.409 1.619 1.00 0.00 C ATOM 811 O LEU A 51 14.710 6.480 1.231 1.00 0.00 O ATOM 812 CB LEU A 51 13.907 3.498 0.057 1.00 0.00 C ATOM 813 CG LEU A 51 14.619 2.766 -1.088 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.975 2.209 -0.659 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.743 1.620 -1.535 1.00 0.00 C ATOM 0 H LEU A 51 14.303 2.352 2.133 1.00 0.00 H new ATOM 0 HA LEU A 51 15.859 4.317 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.245 2.802 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.280 4.288 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 51 14.791 3.479 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.442 1.699 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.616 3.026 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.836 1.503 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.231 1.085 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.581 0.939 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.784 2.008 -1.879 1.00 0.00 H new ATOM 827 N ASN A 52 13.373 5.296 2.533 1.00 0.00 N ATOM 828 CA ASN A 52 12.738 6.484 3.161 1.00 0.00 C ATOM 829 C ASN A 52 13.820 7.362 3.831 1.00 0.00 C ATOM 830 O ASN A 52 13.817 8.567 3.678 1.00 0.00 O ATOM 831 CB ASN A 52 11.742 5.876 4.178 1.00 0.00 C ATOM 832 CG ASN A 52 11.555 6.782 5.393 1.00 0.00 C ATOM 833 OD1 ASN A 52 12.142 6.559 6.431 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.757 7.794 5.306 1.00 0.00 N ATOM 0 H ASN A 52 13.017 4.402 2.872 1.00 0.00 H new ATOM 0 HA ASN A 52 12.228 7.142 2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.779 5.714 3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.103 4.900 4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.620 8.406 6.110 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.264 7.981 4.433 1.00 0.00 H new ATOM 841 N ASP A 53 14.746 6.757 4.545 1.00 0.00 N ATOM 842 CA ASP A 53 15.844 7.550 5.209 1.00 0.00 C ATOM 843 C ASP A 53 16.947 7.920 4.197 1.00 0.00 C ATOM 844 O ASP A 53 17.471 9.021 4.228 1.00 0.00 O ATOM 845 CB ASP A 53 16.413 6.648 6.313 1.00 0.00 C ATOM 846 CG ASP A 53 15.340 6.340 7.372 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.778 7.279 7.920 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.099 5.171 7.618 1.00 0.00 O ATOM 0 H ASP A 53 14.791 5.750 4.698 1.00 0.00 H new ATOM 0 HA ASP A 53 15.460 8.486 5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.778 5.718 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.266 7.136 6.784 1.00 0.00 H new ATOM 853 N ALA A 54 17.300 7.009 3.302 1.00 0.00 N ATOM 854 CA ALA A 54 18.368 7.297 2.277 1.00 0.00 C ATOM 855 C ALA A 54 17.887 8.367 1.281 1.00 0.00 C ATOM 856 O ALA A 54 18.616 9.285 0.948 1.00 0.00 O ATOM 857 CB ALA A 54 18.616 5.966 1.557 1.00 0.00 C ATOM 0 H ALA A 54 16.891 6.077 3.240 1.00 0.00 H new ATOM 0 HA ALA A 54 19.277 7.682 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.384 6.102 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.948 5.219 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.693 5.630 1.085 1.00 0.00 H new ATOM 863 N GLN A 55 16.647 8.265 0.836 1.00 0.00 N ATOM 864 CA GLN A 55 16.068 9.279 -0.113 1.00 0.00 C ATOM 865 C GLN A 55 15.438 10.462 0.671 1.00 0.00 C ATOM 866 O GLN A 55 14.810 11.326 0.078 1.00 0.00 O ATOM 867 CB GLN A 55 14.982 8.539 -0.906 1.00 0.00 C ATOM 868 CG GLN A 55 15.579 7.341 -1.667 1.00 0.00 C ATOM 869 CD GLN A 55 14.483 6.667 -2.496 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.630 6.482 -3.687 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.376 6.294 -1.911 1.00 0.00 N ATOM 0 H GLN A 55 16.007 7.514 1.094 1.00 0.00 H new ATOM 0 HA GLN A 55 16.836 9.695 -0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.203 8.192 -0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.510 9.224 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.388 7.675 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.009 6.628 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.251 6.449 -0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.637 5.848 -2.455 1.00 0.00 H new ATOM 880 N ALA A 56 15.590 10.503 1.992 1.00 0.00 N ATOM 881 CA ALA A 56 14.995 11.615 2.809 1.00 0.00 C ATOM 882 C ALA A 56 15.706 12.948 2.557 1.00 0.00 C ATOM 883 O ALA A 56 16.838 12.973 2.097 1.00 0.00 O ATOM 884 CB ALA A 56 15.185 11.219 4.277 1.00 0.00 C ATOM 0 H ALA A 56 16.104 9.807 2.532 1.00 0.00 H new ATOM 0 HA ALA A 56 13.947 11.751 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.769 11.995 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.673 10.276 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.248 11.104 4.488 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.093 -5.572 -9.366 1.00 0.00 N ATOM 1015 CA ASN B 6 0.870 -4.777 -8.511 1.00 0.00 C ATOM 1016 C ASN B 6 0.841 -3.300 -8.919 1.00 0.00 C ATOM 1017 O ASN B 6 0.873 -2.415 -8.079 1.00 0.00 O ATOM 1018 CB ASN B 6 2.278 -5.365 -8.752 1.00 0.00 C ATOM 1019 CG ASN B 6 2.316 -6.893 -8.527 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.424 -7.466 -7.938 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.322 -7.584 -8.991 1.00 0.00 N ATOM 0 HA ASN B 6 0.597 -4.839 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.594 -5.141 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.991 -4.883 -8.083 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.352 -8.595 -8.856 1.00 0.00 H new ATOM 0 HD22 ASN B 6 4.078 -7.113 -9.488 1.00 0.00 H new ATOM 1028 N LYS B 7 0.746 -3.044 -10.207 1.00 0.00 N ATOM 1029 CA LYS B 7 0.671 -1.632 -10.729 1.00 0.00 C ATOM 1030 C LYS B 7 -0.560 -0.930 -10.162 1.00 0.00 C ATOM 1031 O LYS B 7 -0.522 0.248 -9.857 1.00 0.00 O ATOM 1032 CB LYS B 7 0.553 -1.768 -12.254 1.00 0.00 C ATOM 1033 CG LYS B 7 0.661 -0.388 -12.932 1.00 0.00 C ATOM 1034 CD LYS B 7 -0.736 0.230 -13.129 1.00 0.00 C ATOM 1035 CE LYS B 7 -1.554 -0.597 -14.140 1.00 0.00 C ATOM 1036 NZ LYS B 7 -2.737 -1.108 -13.381 1.00 0.00 N ATOM 0 H LYS B 7 0.717 -3.763 -10.930 1.00 0.00 H new ATOM 0 HA LYS B 7 1.541 -1.042 -10.442 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.338 -2.425 -12.628 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.400 -2.232 -12.511 1.00 0.00 H new ATOM 0 HG2 LYS B 7 1.275 0.275 -12.323 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.159 -0.488 -13.896 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -1.260 0.270 -12.174 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -0.640 1.256 -13.483 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -1.866 0.016 -14.986 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -0.963 -1.419 -14.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.307 -1.720 -13.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.412 -1.653 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -3.316 -0.306 -13.059 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.641 -1.654 -10.010 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.875 -1.046 -9.440 1.00 0.00 C ATOM 1052 C GLU B 8 -2.664 -0.664 -7.988 1.00 0.00 C ATOM 1053 O GLU B 8 -3.189 0.319 -7.552 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.991 -2.089 -9.555 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.932 -1.758 -10.722 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.288 -0.258 -10.761 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -5.987 0.196 -9.871 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -4.847 0.409 -11.685 1.00 0.00 O ATOM 0 H GLU B 8 -1.719 -2.640 -10.257 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.135 -0.137 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.556 -3.078 -9.702 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.558 -2.125 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.460 -2.044 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.845 -2.346 -10.631 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.868 -1.399 -7.247 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.620 -1.004 -5.820 1.00 0.00 C ATOM 1067 C LEU B 9 -0.847 0.310 -5.784 1.00 0.00 C ATOM 1068 O LEU B 9 -0.950 1.066 -4.839 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.797 -2.090 -5.133 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.347 -3.492 -5.412 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.366 -4.537 -4.844 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.728 -3.615 -4.742 1.00 0.00 C ATOM 0 H LEU B 9 -1.386 -2.242 -7.560 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.573 -0.882 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.236 -2.032 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.788 -1.912 -4.058 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.454 -3.663 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.749 -5.539 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.606 -4.421 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.261 -4.391 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.136 -4.608 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.626 -3.462 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.400 -2.862 -5.154 1.00 0.00 H new ATOM 1084 N SER B 10 -0.095 0.596 -6.823 1.00 0.00 N ATOM 1085 CA SER B 10 0.656 1.870 -6.877 1.00 0.00 C ATOM 1086 C SER B 10 -0.367 3.030 -6.967 1.00 0.00 C ATOM 1087 O SER B 10 -0.363 3.943 -6.162 1.00 0.00 O ATOM 1088 CB SER B 10 1.528 1.745 -8.143 1.00 0.00 C ATOM 1089 OG SER B 10 1.464 2.934 -8.928 1.00 0.00 O ATOM 0 H SER B 10 0.024 -0.009 -7.635 1.00 0.00 H new ATOM 0 HA SER B 10 1.279 2.070 -6.005 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.562 1.548 -7.859 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.193 0.895 -8.737 1.00 0.00 H new ATOM 0 HG SER B 10 1.892 2.777 -9.795 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.256 2.959 -7.939 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.302 4.028 -8.136 1.00 0.00 C ATOM 1097 C VAL B 11 -3.452 3.863 -7.123 1.00 0.00 C ATOM 1098 O VAL B 11 -3.775 4.779 -6.388 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.816 3.828 -9.582 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.693 5.014 -9.990 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.631 3.708 -10.561 1.00 0.00 C ATOM 0 H VAL B 11 -1.302 2.195 -8.614 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.895 5.027 -7.981 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.402 2.910 -9.618 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.052 4.868 -11.009 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.544 5.087 -9.313 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.109 5.933 -9.940 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.009 3.568 -11.574 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.032 4.617 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.014 2.854 -10.282 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.060 2.696 -7.093 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.195 2.411 -6.148 1.00 0.00 C ATOM 1113 C ALA B 12 -4.747 2.493 -4.695 1.00 0.00 C ATOM 1114 O ALA B 12 -5.386 3.126 -3.881 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.641 0.973 -6.466 1.00 0.00 C ATOM 0 H ALA B 12 -3.812 1.912 -7.697 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.996 3.140 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.469 0.696 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.963 0.914 -7.506 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.807 0.289 -6.305 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.654 1.851 -4.380 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.127 1.834 -2.988 1.00 0.00 C ATOM 1123 C GLY B 13 -2.805 3.237 -2.510 1.00 0.00 C ATOM 1124 O GLY B 13 -3.283 3.655 -1.478 1.00 0.00 O ATOM 0 H GLY B 13 -3.092 1.325 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.861 1.379 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.230 1.216 -2.943 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.971 3.945 -3.236 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.575 5.319 -2.783 1.00 0.00 C ATOM 1130 C ARG B 14 -2.759 6.292 -2.686 1.00 0.00 C ATOM 1131 O ARG B 14 -2.838 7.043 -1.736 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.575 5.845 -3.787 1.00 0.00 C ATOM 1133 CG ARG B 14 0.415 6.738 -3.047 1.00 0.00 C ATOM 1134 CD ARG B 14 1.719 5.984 -2.913 1.00 0.00 C ATOM 1135 NE ARG B 14 2.272 6.004 -4.295 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.303 4.936 -5.055 1.00 0.00 C ATOM 1137 NH1 ARG B 14 2.489 3.744 -4.531 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.156 5.074 -6.351 1.00 0.00 N ATOM 0 H ARG B 14 -1.551 3.636 -4.113 1.00 0.00 H new ATOM 0 HA ARG B 14 -1.159 5.246 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -0.054 5.020 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -1.083 6.407 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG B 14 0.568 7.669 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.026 7.004 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG B 14 2.391 6.467 -2.204 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.560 4.966 -2.558 1.00 0.00 H new ATOM 0 HE ARG B 14 2.640 6.881 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG B 14 2.611 3.643 -3.523 1.00 0.00 H new ATOM 0 HH12 ARG B 14 2.511 2.920 -5.132 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.020 6.002 -6.753 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.178 4.254 -6.957 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.682 6.289 -3.636 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.865 7.226 -3.527 1.00 0.00 C ATOM 1154 C GLU B 15 -5.647 6.865 -2.250 1.00 0.00 C ATOM 1155 O GLU B 15 -6.062 7.733 -1.507 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.710 7.011 -4.787 1.00 0.00 C ATOM 1157 CG GLU B 15 -5.028 7.687 -5.985 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.904 7.550 -7.235 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.960 8.166 -7.274 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.501 6.836 -8.137 1.00 0.00 O ATOM 0 H GLU B 15 -3.670 5.693 -4.464 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.573 8.274 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.831 5.945 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.708 7.424 -4.643 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.854 8.741 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -4.053 7.233 -6.163 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.760 5.578 -1.975 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.414 5.074 -0.720 1.00 0.00 C ATOM 1169 C ILE B 16 -5.542 5.473 0.509 1.00 0.00 C ATOM 1170 O ILE B 16 -6.052 5.700 1.590 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.504 3.538 -0.951 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.669 3.257 -1.912 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.741 2.789 0.356 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.523 1.882 -2.573 1.00 0.00 C ATOM 0 H ILE B 16 -5.415 4.839 -2.588 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.400 5.491 -0.514 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.559 3.192 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.612 3.303 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.705 4.030 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.799 1.719 0.157 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.918 2.987 1.043 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.676 3.125 0.804 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.362 1.712 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.591 1.847 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.512 1.108 -1.805 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.233 5.594 0.320 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.289 6.018 1.422 1.00 0.00 C ATOM 1188 C VAL B 17 -3.347 7.545 1.662 1.00 0.00 C ATOM 1189 O VAL B 17 -3.101 8.000 2.769 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.858 5.661 0.907 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.763 6.356 1.732 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.619 4.165 0.970 1.00 0.00 C ATOM 0 H VAL B 17 -3.774 5.412 -0.572 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.552 5.523 2.357 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.806 6.009 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.217 6.081 1.341 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.889 7.437 1.667 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.839 6.044 2.774 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.616 3.941 0.606 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.716 3.824 2.001 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.353 3.653 0.348 1.00 0.00 H new ATOM 1202 N THR B 18 -3.546 8.337 0.618 1.00 0.00 N ATOM 1203 CA THR B 18 -3.462 9.834 0.775 1.00 0.00 C ATOM 1204 C THR B 18 -4.773 10.623 0.598 1.00 0.00 C ATOM 1205 O THR B 18 -4.700 11.845 0.565 1.00 0.00 O ATOM 1206 CB THR B 18 -2.452 10.272 -0.309 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.987 10.013 -1.605 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.141 9.501 -0.143 1.00 0.00 C ATOM 0 H THR B 18 -3.761 8.012 -0.325 1.00 0.00 H new ATOM 0 HA THR B 18 -3.179 10.055 1.804 1.00 0.00 H new ATOM 0 HB THR B 18 -2.262 11.340 -0.200 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.945 9.052 -1.790 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.434 9.815 -0.911 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.721 9.705 0.842 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.332 8.432 -0.242 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.954 10.020 0.486 1.00 0.00 N ATOM 1217 CA LEU B 19 -7.179 10.905 0.323 1.00 0.00 C ATOM 1218 C LEU B 19 -7.314 11.871 1.544 1.00 0.00 C ATOM 1219 O LEU B 19 -6.871 11.557 2.638 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.411 10.022 0.088 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.561 8.918 1.125 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.022 8.877 1.521 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.170 7.567 0.515 1.00 0.00 C ATOM 0 H LEU B 19 -6.119 9.014 0.499 1.00 0.00 H new ATOM 0 HA LEU B 19 -7.079 11.547 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -9.305 10.646 0.098 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -8.346 9.574 -0.904 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.919 9.110 1.984 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.175 8.096 2.266 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.313 9.840 1.940 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.631 8.665 0.642 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.281 6.784 1.265 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.818 7.350 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.133 7.605 0.180 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.812 13.071 1.260 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.869 14.188 2.272 1.00 0.00 C ATOM 1237 C PRO B 20 -8.826 13.996 3.465 1.00 0.00 C ATOM 1238 O PRO B 20 -8.518 14.442 4.558 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.313 15.392 1.436 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.041 14.811 0.269 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.397 13.486 -0.027 1.00 0.00 C ATOM 0 HA PRO B 20 -6.900 14.276 2.764 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -8.958 16.055 2.012 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -7.457 15.983 1.111 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.099 14.684 0.497 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -8.978 15.473 -0.595 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.127 12.760 -0.385 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.634 13.578 -0.800 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.977 13.391 3.282 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.940 13.244 4.445 1.00 0.00 C ATOM 1251 C ASN B 21 -10.756 11.919 5.200 1.00 0.00 C ATOM 1252 O ASN B 21 -11.619 11.530 5.975 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.340 13.266 3.836 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.671 14.604 3.163 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.917 15.557 3.227 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.801 14.710 2.529 1.00 0.00 N ATOM 0 H ASN B 21 -10.296 12.996 2.397 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.767 14.045 5.164 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.426 12.464 3.103 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -13.074 13.065 4.616 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -14.056 15.592 2.085 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -14.433 13.911 2.476 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.680 11.205 4.967 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.493 9.895 5.646 1.00 0.00 C ATOM 1265 C LEU B 22 -8.401 9.934 6.708 1.00 0.00 C ATOM 1266 O LEU B 22 -7.503 10.760 6.681 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.074 8.961 4.533 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.517 7.533 4.817 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -11.019 7.376 4.540 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.724 6.595 3.913 1.00 0.00 C ATOM 0 H LEU B 22 -8.927 11.477 4.335 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.402 9.593 6.165 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.505 9.298 3.590 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.991 8.992 4.417 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.335 7.292 5.864 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.322 6.350 4.747 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.580 8.056 5.180 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -11.223 7.610 3.495 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.027 5.565 4.102 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.918 6.845 2.870 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.659 6.703 4.121 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.467 8.991 7.611 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.425 8.871 8.692 1.00 0.00 C ATOM 1284 C ASN B 23 -6.716 7.496 8.598 1.00 0.00 C ATOM 1285 O ASN B 23 -7.153 6.616 7.873 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.151 9.102 10.042 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.197 8.015 10.346 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.550 7.233 9.498 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -9.715 7.944 11.540 1.00 0.00 N ATOM 0 H ASN B 23 -9.204 8.287 7.652 1.00 0.00 H new ATOM 0 HA ASN B 23 -6.633 9.613 8.588 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -7.415 9.128 10.846 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -8.639 10.076 10.025 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -10.413 7.231 11.751 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -9.422 8.601 12.263 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.589 7.344 9.279 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.764 6.073 9.200 1.00 0.00 C ATOM 1298 C ASP B 24 -5.544 4.727 9.325 1.00 0.00 C ATOM 1299 O ASP B 24 -5.190 3.806 8.610 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.642 6.197 10.263 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.193 6.243 11.694 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.600 7.314 12.120 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.181 5.209 12.344 1.00 0.00 O ATOM 0 H ASP B 24 -5.200 8.057 9.896 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.368 6.005 8.187 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -2.959 5.353 10.167 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.062 7.100 10.071 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.556 4.604 10.196 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.283 3.297 10.304 1.00 0.00 C ATOM 1310 C PRO B 25 -8.071 2.948 9.019 1.00 0.00 C ATOM 1311 O PRO B 25 -8.144 1.788 8.646 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.227 3.501 11.490 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.420 4.975 11.565 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.122 5.596 11.129 1.00 0.00 C ATOM 0 HA PRO B 25 -6.596 2.462 10.440 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.174 2.984 11.336 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.796 3.110 12.412 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.239 5.293 10.919 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.676 5.282 12.579 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.282 6.558 10.642 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.459 5.774 11.976 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.661 3.926 8.349 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.448 3.626 7.099 1.00 0.00 C ATOM 1324 C GLN B 26 -8.503 3.230 5.959 1.00 0.00 C ATOM 1325 O GLN B 26 -8.655 2.167 5.386 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.199 4.914 6.736 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.000 5.440 7.936 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.296 4.663 8.140 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.351 3.458 7.976 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.347 5.316 8.522 1.00 0.00 N ATOM 0 H GLN B 26 -8.630 4.911 8.614 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.138 2.797 7.259 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.489 5.673 6.407 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.872 4.724 5.900 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -10.390 5.372 8.837 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.229 6.495 7.785 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.298 6.326 8.659 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.223 4.821 8.686 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.525 4.076 5.634 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.549 3.744 4.521 1.00 0.00 C ATOM 1341 C LYS B 27 -5.934 2.367 4.749 1.00 0.00 C ATOM 1342 O LYS B 27 -5.792 1.595 3.819 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.456 4.834 4.471 1.00 0.00 C ATOM 1344 CG LYS B 27 -4.987 5.319 5.855 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.441 6.751 5.729 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.591 7.741 5.450 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.954 8.939 4.825 1.00 0.00 N ATOM 0 H LYS B 27 -7.365 4.974 6.090 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.074 3.720 3.566 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.597 4.447 3.923 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.835 5.687 3.908 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.816 5.294 6.563 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.215 4.655 6.244 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.925 7.032 6.647 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.708 6.798 4.924 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.333 7.301 4.784 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.108 8.009 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.692 9.565 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.401 9.452 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.325 8.635 4.054 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.615 2.045 5.984 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.062 0.687 6.297 1.00 0.00 C ATOM 1363 C LYS B 28 -6.083 -0.394 5.885 1.00 0.00 C ATOM 1364 O LYS B 28 -5.731 -1.399 5.307 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.930 0.627 7.835 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.532 1.004 8.290 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.776 -0.254 8.727 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.279 -0.084 8.448 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.584 -1.073 9.325 1.00 0.00 N ATOM 0 H LYS B 28 -5.714 2.665 6.788 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.118 0.521 5.778 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.656 1.301 8.290 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.168 -0.378 8.182 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.996 1.499 7.480 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.587 1.713 9.116 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.939 -0.436 9.789 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.158 -1.123 8.192 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.054 -0.268 7.397 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.953 0.932 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.273 -1.418 8.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.321 -0.617 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.220 -1.873 9.517 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.350 -0.176 6.223 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.439 -1.169 5.915 1.00 0.00 C ATOM 1385 C ALA B 29 -8.541 -1.485 4.414 1.00 0.00 C ATOM 1386 O ALA B 29 -8.537 -2.651 4.049 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.740 -0.524 6.412 1.00 0.00 C ATOM 0 H ALA B 29 -7.672 0.663 6.706 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.231 -2.121 6.403 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.576 -1.196 6.218 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.667 -0.335 7.483 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.902 0.418 5.888 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.620 -0.491 3.535 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.708 -0.845 2.069 1.00 0.00 C ATOM 1395 C PHE B 30 -7.329 -1.236 1.527 1.00 0.00 C ATOM 1396 O PHE B 30 -7.256 -2.108 0.704 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.291 0.297 1.190 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.828 1.488 1.934 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.947 2.448 2.393 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.207 1.668 2.084 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.430 3.599 3.010 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.692 2.810 2.713 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.802 3.781 3.175 1.00 0.00 C ATOM 0 H PHE B 30 -8.627 0.504 3.758 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.397 -1.688 2.008 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.512 0.639 0.509 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.092 -0.115 0.576 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.883 2.306 2.273 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.894 0.922 1.712 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.740 4.352 3.361 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.756 2.945 2.844 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.176 4.671 3.659 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.230 -0.623 1.963 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.890 -1.056 1.411 1.00 0.00 C ATOM 1415 C ILE B 31 -4.649 -2.531 1.753 1.00 0.00 C ATOM 1416 O ILE B 31 -4.233 -3.305 0.912 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.793 -0.179 2.033 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.731 1.148 1.243 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.417 -0.912 1.957 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.298 1.506 0.936 1.00 0.00 C ATOM 0 H ILE B 31 -6.205 0.130 2.651 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.874 -0.942 0.327 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.018 0.019 3.081 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.297 1.054 0.316 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.197 1.946 1.821 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.645 -0.283 2.400 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.476 -1.854 2.503 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.168 -1.112 0.915 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.268 2.443 0.379 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.744 1.620 1.868 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.845 0.714 0.339 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.900 -2.912 2.988 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.687 -4.330 3.397 1.00 0.00 C ATOM 1434 C PHE B 32 -5.579 -5.255 2.536 1.00 0.00 C ATOM 1435 O PHE B 32 -5.110 -6.262 2.044 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.989 -4.380 4.912 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.708 -4.047 5.686 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.021 -2.804 5.488 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.149 -5.007 6.574 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.839 -2.566 6.167 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.956 -4.737 7.218 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.311 -3.534 7.017 1.00 0.00 C ATOM 0 H PHE B 32 -5.243 -2.297 3.726 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.670 -4.686 3.231 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.776 -3.669 5.163 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.352 -5.369 5.191 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.422 -2.061 4.815 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.656 -5.945 6.745 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.324 -1.626 6.037 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.526 -5.472 7.882 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.380 -3.340 7.528 1.00 0.00 H new ATOM 1452 N SER B 33 -6.825 -4.880 2.276 1.00 0.00 N ATOM 1453 CA SER B 33 -7.693 -5.717 1.364 1.00 0.00 C ATOM 1454 C SER B 33 -7.244 -5.534 -0.118 1.00 0.00 C ATOM 1455 O SER B 33 -7.343 -6.453 -0.906 1.00 0.00 O ATOM 1456 CB SER B 33 -9.144 -5.252 1.587 1.00 0.00 C ATOM 1457 OG SER B 33 -9.284 -3.889 1.225 1.00 0.00 O ATOM 0 H SER B 33 -7.271 -4.043 2.651 1.00 0.00 H new ATOM 0 HA SER B 33 -7.605 -6.781 1.585 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.824 -5.864 0.995 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.420 -5.388 2.633 1.00 0.00 H new ATOM 0 HG SER B 33 -8.398 -3.478 1.147 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.702 -4.365 -0.471 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.171 -4.110 -1.872 1.00 0.00 C ATOM 1465 C LEU B 34 -5.047 -5.114 -2.138 1.00 0.00 C ATOM 1466 O LEU B 34 -4.963 -5.704 -3.201 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.618 -2.660 -1.842 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.082 -2.220 -3.208 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.237 -1.765 -4.110 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.090 -1.051 -3.021 1.00 0.00 C ATOM 0 H LEU B 34 -6.606 -3.571 0.163 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.924 -4.222 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.407 -1.978 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.821 -2.591 -1.101 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.575 -3.064 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.843 -1.455 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.936 -2.590 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.754 -0.927 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.709 -0.738 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.600 -0.214 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.260 -1.375 -2.393 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.210 -5.322 -1.144 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.098 -6.305 -1.256 1.00 0.00 C ATOM 1484 C TRP B 35 -3.652 -7.745 -1.368 1.00 0.00 C ATOM 1485 O TRP B 35 -3.184 -8.524 -2.174 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.309 -6.151 0.034 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.066 -6.945 -0.105 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.817 -8.135 0.479 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.088 -6.634 -0.912 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.424 -8.563 0.086 1.00 0.00 N ATOM 1491 CE2 TRP B 35 1.029 -7.663 -0.758 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.407 -5.557 -1.745 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.246 -7.624 -1.406 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.634 -5.515 -2.401 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.549 -6.541 -2.230 1.00 0.00 C ATOM 0 H TRP B 35 -4.258 -4.839 -0.247 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.488 -6.129 -2.142 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.075 -5.102 0.217 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.894 -6.501 0.885 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.484 -8.662 1.145 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.847 -9.442 0.384 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.302 -4.754 -1.880 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.958 -8.426 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.873 -4.681 -3.044 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.502 -6.502 -2.737 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.648 -8.090 -0.559 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.239 -9.473 -0.607 1.00 0.00 C ATOM 1508 C ASP B 36 -5.916 -9.707 -1.954 1.00 0.00 C ATOM 1509 O ASP B 36 -5.708 -10.731 -2.584 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.289 -9.544 0.521 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.620 -9.659 1.899 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.772 -10.526 2.067 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.986 -8.892 2.775 1.00 0.00 O ATOM 0 H ASP B 36 -5.072 -7.468 0.130 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.467 -10.232 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.917 -8.654 0.492 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.943 -10.401 0.359 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.724 -8.760 -2.400 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.418 -8.921 -3.700 1.00 0.00 C ATOM 1520 C ASP B 37 -7.450 -7.594 -4.480 1.00 0.00 C ATOM 1521 O ASP B 37 -8.424 -6.857 -4.397 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.848 -9.396 -3.361 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.816 -10.829 -2.813 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.713 -11.747 -3.612 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.894 -10.983 -1.606 1.00 0.00 O ATOM 0 H ASP B 37 -6.923 -7.888 -1.909 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.901 -9.638 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.296 -8.728 -2.625 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.474 -9.354 -4.253 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.400 -7.335 -5.256 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.369 -6.105 -6.094 1.00 0.00 C ATOM 1532 C PRO B 38 -7.406 -6.177 -7.242 1.00 0.00 C ATOM 1533 O PRO B 38 -7.595 -5.212 -7.950 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.952 -6.047 -6.625 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.476 -7.465 -6.593 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.168 -8.126 -5.425 1.00 0.00 C ATOM 0 HA PRO B 38 -6.632 -5.212 -5.528 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.925 -5.643 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.324 -5.404 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.717 -7.976 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.393 -7.508 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.390 -9.173 -5.631 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.550 -8.102 -4.527 1.00 0.00 H new ATOM 1544 N SER B 39 -8.123 -7.287 -7.400 1.00 0.00 N ATOM 1545 CA SER B 39 -9.200 -7.353 -8.450 1.00 0.00 C ATOM 1546 C SER B 39 -10.260 -6.283 -8.098 1.00 0.00 C ATOM 1547 O SER B 39 -10.848 -5.664 -8.965 1.00 0.00 O ATOM 1548 CB SER B 39 -9.797 -8.758 -8.340 1.00 0.00 C ATOM 1549 OG SER B 39 -10.049 -9.266 -9.644 1.00 0.00 O ATOM 0 H SER B 39 -8.004 -8.137 -6.849 1.00 0.00 H new ATOM 0 HA SER B 39 -8.835 -7.168 -9.460 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.111 -9.416 -7.807 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.722 -8.728 -7.764 1.00 0.00 H new ATOM 0 HG SER B 39 -10.430 -10.166 -9.576 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.446 -6.046 -6.803 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.405 -4.992 -6.309 1.00 0.00 C ATOM 1557 C GLN B 40 -10.669 -3.631 -6.183 1.00 0.00 C ATOM 1558 O GLN B 40 -11.182 -2.726 -5.570 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.849 -5.424 -4.887 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.012 -6.943 -4.775 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.676 -7.301 -3.444 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -12.177 -6.963 -2.388 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.786 -7.982 -3.447 1.00 0.00 N ATOM 0 H GLN B 40 -9.962 -6.551 -6.061 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.247 -4.889 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.114 -5.083 -4.158 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.793 -4.939 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.615 -7.314 -5.603 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.038 -7.428 -4.847 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -14.207 -8.267 -4.331 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.234 -8.230 -2.565 1.00 0.00 H new ATOM 1572 N SER B 41 -9.460 -3.501 -6.726 1.00 0.00 N ATOM 1573 CA SER B 41 -8.657 -2.227 -6.610 1.00 0.00 C ATOM 1574 C SER B 41 -9.456 -0.991 -7.058 1.00 0.00 C ATOM 1575 O SER B 41 -9.420 0.030 -6.393 1.00 0.00 O ATOM 1576 CB SER B 41 -7.471 -2.455 -7.528 1.00 0.00 C ATOM 1577 OG SER B 41 -6.624 -1.326 -7.522 1.00 0.00 O ATOM 0 H SER B 41 -8.994 -4.241 -7.252 1.00 0.00 H new ATOM 0 HA SER B 41 -8.371 -2.025 -5.578 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.916 -3.336 -7.205 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.819 -2.652 -8.542 1.00 0.00 H new ATOM 0 HG SER B 41 -6.549 -0.968 -8.431 1.00 0.00 H new ATOM 1583 N ALA B 42 -10.194 -1.082 -8.155 1.00 0.00 N ATOM 1584 CA ALA B 42 -11.023 0.088 -8.607 1.00 0.00 C ATOM 1585 C ALA B 42 -12.087 0.374 -7.534 1.00 0.00 C ATOM 1586 O ALA B 42 -12.275 1.507 -7.125 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.677 -0.342 -9.926 1.00 0.00 C ATOM 0 H ALA B 42 -10.254 -1.910 -8.748 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.434 0.994 -8.751 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -12.296 0.470 -10.307 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.903 -0.581 -10.655 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.298 -1.221 -9.755 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.741 -0.670 -7.044 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.752 -0.512 -5.955 1.00 0.00 C ATOM 1595 C ASN B 43 -13.066 -0.075 -4.642 1.00 0.00 C ATOM 1596 O ASN B 43 -13.671 0.588 -3.827 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.404 -1.895 -5.792 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.602 -1.798 -4.838 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.513 -2.194 -3.693 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.727 -1.282 -5.261 1.00 0.00 N ATOM 0 H ASN B 43 -12.608 -1.630 -7.363 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.490 0.253 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.730 -2.270 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.675 -2.607 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.526 -1.213 -4.630 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.806 -0.948 -6.222 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.808 -0.454 -4.437 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.069 -0.075 -3.183 1.00 0.00 C ATOM 1609 C LEU B 44 -10.774 1.417 -3.170 1.00 0.00 C ATOM 1610 O LEU B 44 -11.072 2.108 -2.216 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.782 -0.895 -3.240 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.001 -2.177 -2.459 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.194 -3.322 -3.085 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.559 -1.923 -1.020 1.00 0.00 C ATOM 0 H LEU B 44 -11.266 -1.014 -5.095 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.642 -0.277 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.520 -1.120 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.952 -0.329 -2.817 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.051 -2.467 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.359 -4.237 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.515 -3.473 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.133 -3.071 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.704 -2.828 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.505 -1.646 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.152 -1.114 -0.595 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.223 1.904 -4.246 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.930 3.366 -4.384 1.00 0.00 C ATOM 1628 C LEU B 45 -11.247 4.140 -4.242 1.00 0.00 C ATOM 1629 O LEU B 45 -11.308 5.157 -3.573 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.351 3.541 -5.795 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.168 4.502 -5.754 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.636 4.705 -7.173 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.611 5.846 -5.165 1.00 0.00 C ATOM 0 H LEU B 45 -9.956 1.342 -5.054 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.235 3.734 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -9.033 2.576 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -10.119 3.924 -6.468 1.00 0.00 H new ATOM 0 HG LEU B 45 -7.380 4.085 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.790 5.392 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.315 3.747 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -8.424 5.121 -7.801 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.762 6.529 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -9.400 6.272 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.987 5.694 -4.153 1.00 0.00 H new ATOM 1645 N ALA B 46 -12.310 3.620 -4.831 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.654 4.259 -4.699 1.00 0.00 C ATOM 1647 C ALA B 46 -14.098 4.172 -3.232 1.00 0.00 C ATOM 1648 O ALA B 46 -14.576 5.135 -2.675 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.580 3.429 -5.582 1.00 0.00 C ATOM 0 H ALA B 46 -12.295 2.774 -5.400 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.657 5.309 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.589 3.838 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -14.223 3.457 -6.611 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.591 2.398 -5.230 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.895 3.018 -2.603 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.245 2.835 -1.157 1.00 0.00 C ATOM 1657 C GLU B 47 -13.462 3.846 -0.308 1.00 0.00 C ATOM 1658 O GLU B 47 -13.969 4.365 0.663 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.818 1.398 -0.795 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.310 1.042 0.618 1.00 0.00 C ATOM 1661 CD GLU B 47 -15.842 1.126 0.688 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.493 0.239 0.159 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -16.336 2.081 1.268 1.00 0.00 O ATOM 0 H GLU B 47 -13.496 2.191 -3.047 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.308 2.992 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.228 0.695 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.733 1.309 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -13.982 0.036 0.882 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -13.868 1.722 1.346 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.236 4.139 -0.706 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.397 5.142 0.028 1.00 0.00 C ATOM 1672 C ALA B 48 -12.074 6.516 -0.082 1.00 0.00 C ATOM 1673 O ALA B 48 -12.289 7.183 0.911 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.023 5.128 -0.677 1.00 0.00 C ATOM 0 H ALA B 48 -11.782 3.719 -1.517 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.282 4.916 1.088 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.357 5.841 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.592 4.129 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.148 5.405 -1.724 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.446 6.908 -1.289 1.00 0.00 N ATOM 1681 CA LYS B 49 -13.156 8.221 -1.505 1.00 0.00 C ATOM 1682 C LYS B 49 -14.529 8.208 -0.799 1.00 0.00 C ATOM 1683 O LYS B 49 -14.891 9.153 -0.137 1.00 0.00 O ATOM 1684 CB LYS B 49 -13.338 8.339 -3.028 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.967 8.432 -3.716 1.00 0.00 C ATOM 1686 CD LYS B 49 -12.155 8.530 -5.234 1.00 0.00 C ATOM 1687 CE LYS B 49 -10.794 8.376 -5.934 1.00 0.00 C ATOM 1688 NZ LYS B 49 -10.997 7.344 -6.995 1.00 0.00 N ATOM 0 H LYS B 49 -12.286 6.368 -2.140 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.594 9.061 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.885 7.475 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.933 9.221 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.424 9.304 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -11.366 7.556 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.841 7.755 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -12.602 9.489 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -10.467 9.322 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.024 8.065 -5.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -10.084 7.120 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -11.396 6.483 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -11.652 7.710 -7.715 1.00 0.00 H new ATOM 1702 N LYS B 50 -15.278 7.129 -0.928 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.626 7.030 -0.253 1.00 0.00 C ATOM 1704 C LYS B 50 -16.470 7.081 1.279 1.00 0.00 C ATOM 1705 O LYS B 50 -17.227 7.750 1.960 1.00 0.00 O ATOM 1706 CB LYS B 50 -17.201 5.675 -0.686 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.618 5.729 -2.163 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.661 4.308 -2.749 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.823 3.510 -2.130 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.181 2.466 -1.273 1.00 0.00 N ATOM 0 H LYS B 50 -15.014 6.309 -1.474 1.00 0.00 H new ATOM 0 HA LYS B 50 -17.278 7.857 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.458 4.891 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -18.061 5.421 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.597 6.200 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.915 6.342 -2.726 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.780 4.357 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.717 3.799 -2.555 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.472 4.157 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.443 3.056 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.915 1.855 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.536 1.891 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.645 2.925 -0.509 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.482 6.382 1.811 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.242 6.377 3.293 1.00 0.00 C ATOM 1726 C LEU B 51 -14.767 7.768 3.770 1.00 0.00 C ATOM 1727 O LEU B 51 -15.142 8.208 4.844 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.189 5.272 3.521 1.00 0.00 C ATOM 1729 CG LEU B 51 -13.962 4.987 5.026 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.279 5.078 5.818 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.394 3.568 5.183 1.00 0.00 C ATOM 0 H LEU B 51 -14.829 5.812 1.273 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.144 6.173 3.870 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.510 4.357 3.023 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.246 5.570 3.062 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.269 5.733 5.415 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.085 4.873 6.871 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.697 6.079 5.714 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -15.988 4.347 5.430 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.230 3.357 6.240 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.101 2.846 4.774 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.448 3.494 4.647 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.986 8.480 2.963 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.534 9.865 3.348 1.00 0.00 C ATOM 1745 C ASN B 52 -14.767 10.779 3.530 1.00 0.00 C ATOM 1746 O ASN B 52 -14.758 11.674 4.349 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.587 10.313 2.188 1.00 0.00 C ATOM 1748 CG ASN B 52 -13.160 11.397 1.229 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -14.318 11.436 0.901 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.351 12.282 0.730 1.00 0.00 N ATOM 0 H ASN B 52 -13.647 8.156 2.057 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.003 9.909 4.299 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.663 10.692 2.624 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.324 9.435 1.598 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.702 12.985 0.079 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.364 12.275 0.989 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.822 10.541 2.761 1.00 0.00 N ATOM 1758 CA ASP B 53 -17.058 11.375 2.855 1.00 0.00 C ATOM 1759 C ASP B 53 -17.764 11.177 4.208 1.00 0.00 C ATOM 1760 O ASP B 53 -18.356 12.102 4.737 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.964 10.893 1.717 1.00 0.00 C ATOM 1762 CG ASP B 53 -19.105 11.894 1.495 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.892 12.859 0.781 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -20.172 11.675 2.043 1.00 0.00 O ATOM 0 H ASP B 53 -15.867 9.793 2.069 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.822 12.436 2.777 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -17.383 10.782 0.801 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.372 9.911 1.957 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.705 9.977 4.759 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.374 9.699 6.077 1.00 0.00 C ATOM 1771 C ALA B 54 -17.708 10.512 7.203 1.00 0.00 C ATOM 1772 O ALA B 54 -18.371 10.976 8.115 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.182 8.196 6.304 1.00 0.00 C ATOM 0 H ALA B 54 -17.220 9.179 4.349 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.427 9.981 6.074 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.643 7.909 7.249 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.649 7.642 5.489 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.117 7.966 6.335 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.406 10.695 7.127 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.663 11.483 8.162 1.00 0.00 C ATOM 1781 C GLN B 55 -15.691 12.986 7.818 1.00 0.00 C ATOM 1782 O GLN B 55 -15.751 13.825 8.702 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.239 10.922 8.100 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.223 9.508 8.695 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.877 8.854 8.400 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.203 8.388 9.294 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.460 8.799 7.171 1.00 0.00 N ATOM 0 H GLN B 55 -15.821 10.324 6.378 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.097 11.397 9.158 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.890 10.898 7.068 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.557 11.569 8.652 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.391 9.552 9.771 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.031 8.913 8.270 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.029 9.192 6.421 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.563 8.363 6.956 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.636 13.322 6.538 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.646 14.759 6.107 1.00 0.00 C ATOM 1798 C ALA B 56 -16.335 14.906 4.735 1.00 0.00 C ATOM 1799 O ALA B 56 -16.312 13.988 3.951 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.170 15.120 5.994 1.00 0.00 C ATOM 0 H ALA B 56 -15.584 12.650 5.772 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.188 15.401 6.801 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.073 16.160 5.682 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.687 14.985 6.962 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.693 14.474 5.257 1.00 0.00 H new