USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 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 5 GLN : amide:sc= -2.57! C(o=-2.9!,f=-4.7!) USER MOD Set 1.2: B 27 THR OG1 : rot -140:sc= -0.365 USER MOD Set 2.1: A 27 THR OG1 : rot -150:sc= 0.763! USER MOD Set 2.2: B 5 GLN : amide:sc= -4.98! C(o=-4.2!,f=-6.6!) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -148:sc= 0.0202 (180deg=-1.27e-05) USER MOD Set 3.2: A 16 GLN : amide:sc= -0.452 K(o=-0.43,f=-1.8) USER MOD Single : A 3 ASN : amide:sc= -2.84 K(o=-2.8,f=-0.83) USER MOD Single : A 8 SER OG : rot 27:sc= 1.17 USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.0161 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 33 SER OG : rot 180:sc= -2.48! USER MOD Single : A 35 LYS NZ :NH3+ -128:sc= -0.0241 (180deg=-0.316) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.018) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.478 USER MOD Single : B 3 ASN : amide:sc= -2.07 K(o=-2.1,f=0.16!) USER MOD Single : B 8 SER OG : rot 47:sc= 0.127 USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.0548 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -114:sc= -0.319 (180deg=-2.87!) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 17 SER OG : rot 180:sc= -0.0063 USER MOD Single : B 21 LYS NZ :NH3+ 151:sc= -0.0889 (180deg=-0.681) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 33 SER OG : rot 82:sc= -1.38 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 TYR OH : rot 30:sc= -0.553 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 -10.074 8.765 -9.183 1.00 0.00 N ATOM 33 CA ASN A 3 -8.900 8.775 -8.254 1.00 0.00 C ATOM 34 C ASN A 3 -9.135 7.781 -7.115 1.00 0.00 C ATOM 35 O ASN A 3 -8.322 7.639 -6.223 1.00 0.00 O ATOM 36 CB ASN A 3 -8.730 10.177 -7.664 1.00 0.00 C ATOM 37 CG ASN A 3 -9.992 10.555 -6.888 1.00 0.00 C ATOM 38 OD1 ASN A 3 -11.047 10.723 -7.465 1.00 0.00 O ATOM 39 ND2 ASN A 3 -9.927 10.693 -5.592 1.00 0.00 N ATOM 0 HA ASN A 3 -8.004 8.493 -8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.862 10.204 -7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.548 10.899 -8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.763 10.942 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.040 10.552 -5.108 1.00 0.00 H new ATOM 46 N ARG A 4 -10.247 7.095 -7.134 1.00 0.00 N ATOM 47 CA ARG A 4 -10.549 6.113 -6.051 1.00 0.00 C ATOM 48 C ARG A 4 -9.830 4.791 -6.324 1.00 0.00 C ATOM 49 O ARG A 4 -9.628 4.400 -7.458 1.00 0.00 O ATOM 50 CB ARG A 4 -12.061 5.860 -6.007 1.00 0.00 C ATOM 51 CG ARG A 4 -12.807 7.167 -5.685 1.00 0.00 C ATOM 52 CD ARG A 4 -12.861 7.392 -4.168 1.00 0.00 C ATOM 53 NE ARG A 4 -13.860 6.468 -3.561 1.00 0.00 N ATOM 54 CZ ARG A 4 -15.132 6.674 -3.759 1.00 0.00 C ATOM 55 NH1 ARG A 4 -15.519 7.667 -4.510 1.00 0.00 N ATOM 56 NH2 ARG A 4 -16.016 5.889 -3.205 1.00 0.00 N ATOM 0 H ARG A 4 -10.963 7.173 -7.857 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.208 6.517 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.400 5.466 -6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.290 5.107 -5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.306 8.007 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.818 7.125 -6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.878 7.220 -3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.129 8.426 -3.953 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.550 5.679 -2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -14.827 8.280 -4.941 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.514 7.831 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.712 5.113 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -17.011 6.051 -3.361 1.00 0.00 H new ATOM 70 N GLN A 5 -9.445 4.100 -5.287 1.00 0.00 N ATOM 71 CA GLN A 5 -8.743 2.801 -5.468 1.00 0.00 C ATOM 72 C GLN A 5 -8.938 1.943 -4.216 1.00 0.00 C ATOM 73 O GLN A 5 -9.257 2.442 -3.151 1.00 0.00 O ATOM 74 CB GLN A 5 -7.253 3.055 -5.699 1.00 0.00 C ATOM 75 CG GLN A 5 -6.678 3.886 -4.544 1.00 0.00 C ATOM 76 CD GLN A 5 -5.333 4.477 -4.969 1.00 0.00 C ATOM 77 OE1 GLN A 5 -4.826 5.380 -4.336 1.00 0.00 O ATOM 78 NE2 GLN A 5 -4.736 4.003 -6.025 1.00 0.00 N ATOM 0 H GLN A 5 -9.588 4.382 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.154 2.277 -6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.721 2.107 -5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.107 3.579 -6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.370 4.684 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.551 3.262 -3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.164 3.244 -6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.840 4.391 -6.322 1.00 0.00 H new ATOM 87 N PHE A 6 -8.746 0.656 -4.340 1.00 0.00 N ATOM 88 CA PHE A 6 -8.910 -0.260 -3.168 1.00 0.00 C ATOM 89 C PHE A 6 -7.528 -0.753 -2.749 1.00 0.00 C ATOM 90 O PHE A 6 -6.707 -1.080 -3.581 1.00 0.00 O ATOM 91 CB PHE A 6 -9.752 -1.466 -3.586 1.00 0.00 C ATOM 92 CG PHE A 6 -11.061 -0.986 -4.159 1.00 0.00 C ATOM 93 CD1 PHE A 6 -12.092 -0.578 -3.307 1.00 0.00 C ATOM 94 CD2 PHE A 6 -11.242 -0.952 -5.546 1.00 0.00 C ATOM 95 CE1 PHE A 6 -13.303 -0.127 -3.843 1.00 0.00 C ATOM 96 CE2 PHE A 6 -12.452 -0.503 -6.083 1.00 0.00 C ATOM 97 CZ PHE A 6 -13.485 -0.094 -5.232 1.00 0.00 C ATOM 0 H PHE A 6 -8.480 0.195 -5.210 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.398 0.265 -2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -9.215 -2.060 -4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.933 -2.113 -2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.954 -0.611 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -10.446 -1.273 -6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -14.097 0.196 -3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -12.590 -0.472 -7.154 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.422 0.247 -5.646 1.00 0.00 H new ATOM 107 N LEU A 7 -7.265 -0.817 -1.471 1.00 0.00 N ATOM 108 CA LEU A 7 -5.930 -1.304 -0.992 1.00 0.00 C ATOM 109 C LEU A 7 -6.168 -2.429 0.013 1.00 0.00 C ATOM 110 O LEU A 7 -6.872 -2.261 0.988 1.00 0.00 O ATOM 111 CB LEU A 7 -5.180 -0.146 -0.314 1.00 0.00 C ATOM 112 CG LEU A 7 -3.698 -0.508 -0.102 1.00 0.00 C ATOM 113 CD1 LEU A 7 -2.911 0.773 0.194 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.538 -1.497 1.073 1.00 0.00 C ATOM 0 H LEU A 7 -7.917 -0.553 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.332 -1.670 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.256 0.752 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.645 0.083 0.645 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.316 -0.984 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.860 0.527 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.005 1.460 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.307 1.244 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.483 -1.738 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.923 -1.043 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.095 -2.409 0.859 1.00 0.00 H new ATOM 126 N SER A 8 -5.587 -3.576 -0.221 1.00 0.00 N ATOM 127 CA SER A 8 -5.769 -4.734 0.711 1.00 0.00 C ATOM 128 C SER A 8 -4.393 -5.267 1.098 1.00 0.00 C ATOM 129 O SER A 8 -3.453 -5.185 0.334 1.00 0.00 O ATOM 130 CB SER A 8 -6.564 -5.836 0.008 1.00 0.00 C ATOM 131 OG SER A 8 -6.701 -6.946 0.884 1.00 0.00 O ATOM 0 H SER A 8 -4.988 -3.764 -1.025 1.00 0.00 H new ATOM 0 HA SER A 8 -6.311 -4.415 1.601 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.546 -5.463 -0.282 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.056 -6.140 -0.907 1.00 0.00 H new ATOM 0 HG SER A 8 -6.670 -6.635 1.813 1.00 0.00 H new ATOM 137 N LEU A 9 -4.261 -5.802 2.284 1.00 0.00 N ATOM 138 CA LEU A 9 -2.930 -6.330 2.723 1.00 0.00 C ATOM 139 C LEU A 9 -3.135 -7.607 3.546 1.00 0.00 C ATOM 140 O LEU A 9 -4.111 -7.748 4.254 1.00 0.00 O ATOM 141 CB LEU A 9 -2.224 -5.267 3.576 1.00 0.00 C ATOM 142 CG LEU A 9 -0.715 -5.569 3.653 1.00 0.00 C ATOM 143 CD1 LEU A 9 -0.002 -5.075 2.383 1.00 0.00 C ATOM 144 CD2 LEU A 9 -0.117 -4.862 4.876 1.00 0.00 C ATOM 0 H LEU A 9 -5.013 -5.897 2.967 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.317 -6.561 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.384 -4.279 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.651 -5.251 4.579 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.576 -6.647 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.063 -5.296 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.420 -5.579 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.143 -3.999 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.951 -5.074 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.269 -3.786 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.607 -5.222 5.780 1.00 0.00 H new ATOM 156 N THR A 10 -2.219 -8.538 3.445 1.00 0.00 N ATOM 157 CA THR A 10 -2.339 -9.828 4.206 1.00 0.00 C ATOM 158 C THR A 10 -1.082 -10.043 5.049 1.00 0.00 C ATOM 159 O THR A 10 -0.091 -9.366 4.884 1.00 0.00 O ATOM 160 CB THR A 10 -2.480 -10.992 3.212 1.00 0.00 C ATOM 161 OG1 THR A 10 -1.187 -11.448 2.838 1.00 0.00 O ATOM 162 CG2 THR A 10 -3.228 -10.522 1.963 1.00 0.00 C ATOM 0 H THR A 10 -1.384 -8.462 2.864 1.00 0.00 H new ATOM 0 HA THR A 10 -3.213 -9.786 4.855 1.00 0.00 H new ATOM 0 HB THR A 10 -3.038 -11.801 3.683 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.266 -12.078 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.324 -11.352 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.220 -10.168 2.245 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.674 -9.711 1.490 1.00 0.00 H new ATOM 170 N GLY A 11 -1.114 -10.981 5.955 1.00 0.00 N ATOM 171 CA GLY A 11 0.089 -11.238 6.794 1.00 0.00 C ATOM 172 C GLY A 11 0.309 -10.065 7.748 1.00 0.00 C ATOM 173 O GLY A 11 1.365 -9.916 8.327 1.00 0.00 O ATOM 0 H GLY A 11 -1.918 -11.578 6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.040 -12.161 7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.965 -11.373 6.160 1.00 0.00 H new ATOM 177 N VAL A 12 -0.675 -9.227 7.909 1.00 0.00 N ATOM 178 CA VAL A 12 -0.515 -8.057 8.819 1.00 0.00 C ATOM 179 C VAL A 12 -0.435 -8.538 10.266 1.00 0.00 C ATOM 180 O VAL A 12 -1.186 -9.395 10.690 1.00 0.00 O ATOM 181 CB VAL A 12 -1.710 -7.115 8.653 1.00 0.00 C ATOM 182 CG1 VAL A 12 -2.976 -7.786 9.191 1.00 0.00 C ATOM 183 CG2 VAL A 12 -1.448 -5.824 9.431 1.00 0.00 C ATOM 0 H VAL A 12 -1.583 -9.300 7.451 1.00 0.00 H new ATOM 0 HA VAL A 12 0.403 -7.525 8.568 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.846 -6.886 7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.824 -7.112 9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.163 -8.707 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.844 -8.018 10.248 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.297 -5.151 9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.311 -6.057 10.487 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.549 -5.343 9.046 1.00 0.00 H new ATOM 193 N SER A 13 0.467 -7.986 11.032 1.00 0.00 N ATOM 194 CA SER A 13 0.594 -8.412 12.454 1.00 0.00 C ATOM 195 C SER A 13 -0.585 -7.858 13.255 1.00 0.00 C ATOM 196 O SER A 13 -1.211 -8.572 14.016 1.00 0.00 O ATOM 197 CB SER A 13 1.904 -7.870 13.039 1.00 0.00 C ATOM 198 OG SER A 13 2.990 -8.650 12.560 1.00 0.00 O ATOM 0 H SER A 13 1.119 -7.260 10.735 1.00 0.00 H new ATOM 0 HA SER A 13 0.596 -9.501 12.507 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.038 -6.826 12.755 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.870 -7.903 14.128 1.00 0.00 H new ATOM 0 HG SER A 13 3.829 -8.305 12.931 1.00 0.00 H new ATOM 204 N LYS A 14 -0.903 -6.601 13.085 1.00 0.00 N ATOM 205 CA LYS A 14 -2.056 -6.020 13.842 1.00 0.00 C ATOM 206 C LYS A 14 -2.323 -4.592 13.367 1.00 0.00 C ATOM 207 O LYS A 14 -1.491 -3.968 12.739 1.00 0.00 O ATOM 208 CB LYS A 14 -1.747 -6.007 15.347 1.00 0.00 C ATOM 209 CG LYS A 14 -0.415 -5.262 15.627 1.00 0.00 C ATOM 210 CD LYS A 14 -0.689 -3.821 16.098 1.00 0.00 C ATOM 211 CE LYS A 14 -1.006 -3.809 17.600 1.00 0.00 C ATOM 212 NZ LYS A 14 -1.220 -2.404 18.055 1.00 0.00 N ATOM 0 H LYS A 14 -0.420 -5.955 12.461 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.938 -6.634 13.662 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.561 -5.522 15.886 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.683 -7.030 15.719 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.154 -5.797 16.387 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.196 -5.245 14.724 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.179 -3.193 15.896 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.524 -3.400 15.539 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.896 -4.406 17.799 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.187 -4.262 18.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.903 -2.306 19.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.675 -1.756 17.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.231 -2.169 17.992 1.00 0.00 H new ATOM 226 N VAL A 15 -3.480 -4.069 13.670 1.00 0.00 N ATOM 227 CA VAL A 15 -3.819 -2.676 13.249 1.00 0.00 C ATOM 228 C VAL A 15 -3.505 -1.701 14.383 1.00 0.00 C ATOM 229 O VAL A 15 -4.082 -1.769 15.452 1.00 0.00 O ATOM 230 CB VAL A 15 -5.307 -2.606 12.915 1.00 0.00 C ATOM 231 CG1 VAL A 15 -5.684 -1.169 12.545 1.00 0.00 C ATOM 232 CG2 VAL A 15 -5.595 -3.527 11.730 1.00 0.00 C ATOM 0 H VAL A 15 -4.211 -4.549 14.195 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.229 -2.406 12.373 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.892 -2.920 13.780 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.747 -1.121 12.307 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.471 -0.509 13.386 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.104 -0.852 11.679 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.656 -3.483 11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.010 -3.205 10.869 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.325 -4.550 11.990 1.00 0.00 H new ATOM 242 N GLN A 16 -2.599 -0.790 14.157 1.00 0.00 N ATOM 243 CA GLN A 16 -2.249 0.198 15.217 1.00 0.00 C ATOM 244 C GLN A 16 -3.433 1.145 15.433 1.00 0.00 C ATOM 245 O GLN A 16 -3.707 1.568 16.539 1.00 0.00 O ATOM 246 CB GLN A 16 -1.017 0.998 14.783 1.00 0.00 C ATOM 247 CG GLN A 16 -0.542 1.888 15.935 1.00 0.00 C ATOM 248 CD GLN A 16 0.027 1.014 17.056 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.704 0.525 17.895 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.312 0.794 17.100 1.00 0.00 N ATOM 0 H GLN A 16 -2.085 -0.687 13.282 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.027 -0.323 16.148 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.219 0.319 14.483 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.258 1.610 13.914 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.218 2.584 15.581 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.371 2.487 16.312 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.924 1.205 16.395 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.705 0.211 17.839 1.00 0.00 H new ATOM 259 N SER A 17 -4.136 1.481 14.387 1.00 0.00 N ATOM 260 CA SER A 17 -5.299 2.402 14.533 1.00 0.00 C ATOM 261 C SER A 17 -6.123 2.381 13.249 1.00 0.00 C ATOM 262 O SER A 17 -5.653 1.980 12.203 1.00 0.00 O ATOM 263 CB SER A 17 -4.795 3.823 14.776 1.00 0.00 C ATOM 264 OG SER A 17 -5.875 4.632 15.222 1.00 0.00 O ATOM 0 H SER A 17 -3.956 1.158 13.437 1.00 0.00 H new ATOM 0 HA SER A 17 -5.913 2.080 15.374 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.998 3.817 15.520 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.372 4.233 13.859 1.00 0.00 H new ATOM 0 HG SER A 17 -5.556 5.545 15.381 1.00 0.00 H new ATOM 270 N PHE A 18 -7.347 2.823 13.318 1.00 0.00 N ATOM 271 CA PHE A 18 -8.202 2.846 12.098 1.00 0.00 C ATOM 272 C PHE A 18 -9.219 3.981 12.225 1.00 0.00 C ATOM 273 O PHE A 18 -10.115 3.925 13.044 1.00 0.00 O ATOM 274 CB PHE A 18 -8.936 1.503 11.956 1.00 0.00 C ATOM 275 CG PHE A 18 -9.320 1.286 10.506 1.00 0.00 C ATOM 276 CD1 PHE A 18 -10.369 2.024 9.940 1.00 0.00 C ATOM 277 CD2 PHE A 18 -8.613 0.365 9.723 1.00 0.00 C ATOM 278 CE1 PHE A 18 -10.716 1.830 8.598 1.00 0.00 C ATOM 279 CE2 PHE A 18 -8.962 0.170 8.382 1.00 0.00 C ATOM 280 CZ PHE A 18 -10.009 0.908 7.817 1.00 0.00 C ATOM 0 H PHE A 18 -7.793 3.170 14.167 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.582 3.006 11.216 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.297 0.689 12.299 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.827 1.495 12.584 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.909 2.742 10.539 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.797 -0.196 10.155 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.530 2.392 8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.424 -0.550 7.783 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.271 0.766 6.779 1.00 0.00 H new ATOM 290 N ASP A 19 -9.090 5.012 11.419 1.00 0.00 N ATOM 291 CA ASP A 19 -10.057 6.161 11.491 1.00 0.00 C ATOM 292 C ASP A 19 -10.631 6.418 10.086 1.00 0.00 C ATOM 293 O ASP A 19 -10.019 6.059 9.098 1.00 0.00 O ATOM 294 CB ASP A 19 -9.328 7.417 11.999 1.00 0.00 C ATOM 295 CG ASP A 19 -9.231 7.381 13.528 1.00 0.00 C ATOM 296 OD1 ASP A 19 -9.171 6.291 14.073 1.00 0.00 O ATOM 297 OD2 ASP A 19 -9.215 8.444 14.124 1.00 0.00 O ATOM 0 H ASP A 19 -8.358 5.108 10.715 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.868 5.922 12.178 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.330 7.470 11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.862 8.312 11.681 1.00 0.00 H new ATOM 302 N PRO A 20 -11.797 7.028 9.979 1.00 0.00 N ATOM 303 CA PRO A 20 -12.420 7.309 8.648 1.00 0.00 C ATOM 304 C PRO A 20 -11.510 8.145 7.738 1.00 0.00 C ATOM 305 O PRO A 20 -11.579 8.052 6.529 1.00 0.00 O ATOM 306 CB PRO A 20 -13.704 8.092 8.982 1.00 0.00 C ATOM 307 CG PRO A 20 -14.003 7.767 10.410 1.00 0.00 C ATOM 308 CD PRO A 20 -12.652 7.516 11.085 1.00 0.00 C ATOM 0 HA PRO A 20 -12.608 6.386 8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.558 9.163 8.844 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -14.526 7.796 8.331 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.532 8.588 10.893 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.643 6.888 10.483 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.251 8.426 11.530 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.734 6.779 11.884 1.00 0.00 H new ATOM 316 N LYS A 21 -10.681 8.982 8.314 1.00 0.00 N ATOM 317 CA LYS A 21 -9.775 9.857 7.497 1.00 0.00 C ATOM 318 C LYS A 21 -8.306 9.523 7.778 1.00 0.00 C ATOM 319 O LYS A 21 -7.419 10.293 7.472 1.00 0.00 O ATOM 320 CB LYS A 21 -10.060 11.324 7.837 1.00 0.00 C ATOM 321 CG LYS A 21 -9.840 11.568 9.335 1.00 0.00 C ATOM 322 CD LYS A 21 -10.089 13.047 9.667 1.00 0.00 C ATOM 323 CE LYS A 21 -11.592 13.354 9.676 1.00 0.00 C ATOM 324 NZ LYS A 21 -11.819 14.681 10.314 1.00 0.00 N ATOM 0 H LYS A 21 -10.591 9.099 9.323 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.964 9.682 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.407 11.974 7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.085 11.576 7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.512 10.938 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.823 11.291 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.658 13.284 10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.588 13.679 8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.981 13.356 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.130 12.579 10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.837 14.893 10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.462 14.662 11.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.317 15.416 9.776 1.00 0.00 H new ATOM 338 N GLU A 22 -8.044 8.377 8.346 1.00 0.00 N ATOM 339 CA GLU A 22 -6.631 7.990 8.629 1.00 0.00 C ATOM 340 C GLU A 22 -6.592 6.532 9.087 1.00 0.00 C ATOM 341 O GLU A 22 -7.354 6.122 9.937 1.00 0.00 O ATOM 342 CB GLU A 22 -6.060 8.883 9.728 1.00 0.00 C ATOM 343 CG GLU A 22 -4.556 8.627 9.855 1.00 0.00 C ATOM 344 CD GLU A 22 -3.944 9.633 10.833 1.00 0.00 C ATOM 345 OE1 GLU A 22 -4.186 10.816 10.660 1.00 0.00 O ATOM 346 OE2 GLU A 22 -3.249 9.203 11.735 1.00 0.00 O ATOM 0 H GLU A 22 -8.746 7.692 8.626 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.034 8.109 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.244 9.931 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.557 8.677 10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.378 7.610 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.078 8.716 8.879 1.00 0.00 H new ATOM 353 N ILE A 23 -5.706 5.746 8.530 1.00 0.00 N ATOM 354 CA ILE A 23 -5.608 4.307 8.936 1.00 0.00 C ATOM 355 C ILE A 23 -4.147 3.943 9.175 1.00 0.00 C ATOM 356 O ILE A 23 -3.289 4.200 8.356 1.00 0.00 O ATOM 357 CB ILE A 23 -6.188 3.417 7.837 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.686 3.706 7.690 1.00 0.00 C ATOM 359 CG2 ILE A 23 -5.985 1.947 8.210 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.221 3.016 6.435 1.00 0.00 C ATOM 0 H ILE A 23 -5.044 6.037 7.810 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.174 4.153 9.855 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.682 3.624 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.223 3.351 8.569 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.855 4.781 7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.399 1.312 7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.920 1.743 8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.492 1.737 9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.286 3.223 6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.692 3.392 5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.066 1.940 6.517 1.00 0.00 H new ATOM 372 N LEU A 24 -3.866 3.339 10.300 1.00 0.00 N ATOM 373 CA LEU A 24 -2.461 2.938 10.626 1.00 0.00 C ATOM 374 C LEU A 24 -2.377 1.411 10.641 1.00 0.00 C ATOM 375 O LEU A 24 -3.143 0.746 11.309 1.00 0.00 O ATOM 376 CB LEU A 24 -2.084 3.487 12.005 1.00 0.00 C ATOM 377 CG LEU A 24 -2.299 5.008 12.037 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.854 5.560 13.398 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.486 5.680 10.918 1.00 0.00 C ATOM 0 H LEU A 24 -4.555 3.103 11.015 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.775 3.339 9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.690 3.009 12.775 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.043 3.253 12.227 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.357 5.221 11.884 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.007 6.639 13.421 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.441 5.094 14.189 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.798 5.340 13.552 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.645 6.758 10.949 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.427 5.466 11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.809 5.294 9.951 1.00 0.00 H new ATOM 391 N LEU A 25 -1.454 0.856 9.898 1.00 0.00 N ATOM 392 CA LEU A 25 -1.307 -0.634 9.843 1.00 0.00 C ATOM 393 C LEU A 25 0.101 -1.031 10.285 1.00 0.00 C ATOM 394 O LEU A 25 1.086 -0.480 9.833 1.00 0.00 O ATOM 395 CB LEU A 25 -1.531 -1.106 8.403 1.00 0.00 C ATOM 396 CG LEU A 25 -2.914 -0.658 7.919 1.00 0.00 C ATOM 397 CD1 LEU A 25 -3.095 -1.093 6.462 1.00 0.00 C ATOM 398 CD2 LEU A 25 -4.011 -1.295 8.792 1.00 0.00 C ATOM 0 H LEU A 25 -0.790 1.373 9.322 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.039 -1.095 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.758 -0.697 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.451 -2.192 8.350 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.993 0.427 7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.077 -0.779 6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.323 -0.632 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.015 -2.178 6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.990 -0.970 8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.943 -2.381 8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.877 -0.985 9.828 1.00 0.00 H new ATOM 410 N GLU A 26 0.199 -1.999 11.158 1.00 0.00 N ATOM 411 CA GLU A 26 1.537 -2.467 11.631 1.00 0.00 C ATOM 412 C GLU A 26 1.874 -3.764 10.897 1.00 0.00 C ATOM 413 O GLU A 26 1.218 -4.780 11.076 1.00 0.00 O ATOM 414 CB GLU A 26 1.485 -2.728 13.140 1.00 0.00 C ATOM 415 CG GLU A 26 2.886 -3.130 13.669 1.00 0.00 C ATOM 416 CD GLU A 26 2.744 -4.147 14.806 1.00 0.00 C ATOM 417 OE1 GLU A 26 2.535 -5.313 14.505 1.00 0.00 O ATOM 418 OE2 GLU A 26 2.838 -3.745 15.951 1.00 0.00 O ATOM 0 H GLU A 26 -0.596 -2.490 11.567 1.00 0.00 H new ATOM 0 HA GLU A 26 2.296 -1.711 11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.137 -1.834 13.658 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.768 -3.520 13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.481 -3.556 12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.417 -2.247 14.024 1.00 0.00 H new ATOM 425 N THR A 27 2.890 -3.729 10.067 1.00 0.00 N ATOM 426 CA THR A 27 3.297 -4.941 9.291 1.00 0.00 C ATOM 427 C THR A 27 4.772 -5.258 9.549 1.00 0.00 C ATOM 428 O THR A 27 5.358 -4.806 10.515 1.00 0.00 O ATOM 429 CB THR A 27 3.082 -4.689 7.796 1.00 0.00 C ATOM 430 OG1 THR A 27 3.454 -5.852 7.070 1.00 0.00 O ATOM 431 CG2 THR A 27 3.934 -3.504 7.340 1.00 0.00 C ATOM 0 H THR A 27 3.460 -2.901 9.893 1.00 0.00 H new ATOM 0 HA THR A 27 2.689 -5.788 9.610 1.00 0.00 H new ATOM 0 HB THR A 27 2.032 -4.461 7.613 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.778 -5.594 6.182 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.776 -3.331 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.648 -2.613 7.899 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.987 -3.722 7.520 1.00 0.00 H new ATOM 439 N ILE A 28 5.348 -6.058 8.692 1.00 0.00 N ATOM 440 CA ILE A 28 6.781 -6.480 8.828 1.00 0.00 C ATOM 441 C ILE A 28 7.628 -5.357 9.443 1.00 0.00 C ATOM 442 O ILE A 28 8.049 -4.445 8.761 1.00 0.00 O ATOM 443 CB ILE A 28 7.331 -6.817 7.436 1.00 0.00 C ATOM 444 CG1 ILE A 28 6.424 -7.864 6.770 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.758 -7.375 7.560 1.00 0.00 C ATOM 446 CD1 ILE A 28 6.843 -8.066 5.310 1.00 0.00 C ATOM 0 H ILE A 28 4.874 -6.450 7.878 1.00 0.00 H new ATOM 0 HA ILE A 28 6.830 -7.350 9.483 1.00 0.00 H new ATOM 0 HB ILE A 28 7.353 -5.913 6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.488 -8.809 7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.384 -7.540 6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.143 -7.612 6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.400 -6.630 8.030 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.744 -8.278 8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.195 -8.809 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.756 -7.122 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.876 -8.411 5.272 1.00 0.00 H new ATOM 458 N GLN A 29 7.883 -5.447 10.730 1.00 0.00 N ATOM 459 CA GLN A 29 8.714 -4.416 11.449 1.00 0.00 C ATOM 460 C GLN A 29 8.584 -3.032 10.797 1.00 0.00 C ATOM 461 O GLN A 29 9.564 -2.402 10.453 1.00 0.00 O ATOM 462 CB GLN A 29 10.189 -4.849 11.448 1.00 0.00 C ATOM 463 CG GLN A 29 10.537 -5.488 10.102 1.00 0.00 C ATOM 464 CD GLN A 29 12.027 -5.824 10.063 1.00 0.00 C ATOM 465 OE1 GLN A 29 12.570 -6.344 11.018 1.00 0.00 O ATOM 466 NE2 GLN A 29 12.717 -5.548 8.990 1.00 0.00 N ATOM 0 H GLN A 29 7.545 -6.204 11.325 1.00 0.00 H new ATOM 0 HA GLN A 29 8.347 -4.343 12.473 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.831 -3.987 11.629 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.371 -5.558 12.256 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.946 -6.392 9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.286 -4.807 9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.261 -5.112 8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.712 -5.769 8.953 1.00 0.00 H new ATOM 475 N GLY A 30 7.388 -2.553 10.633 1.00 0.00 N ATOM 476 CA GLY A 30 7.201 -1.211 10.017 1.00 0.00 C ATOM 477 C GLY A 30 5.722 -0.839 10.083 1.00 0.00 C ATOM 478 O GLY A 30 4.855 -1.683 9.981 1.00 0.00 O ATOM 0 H GLY A 30 6.528 -3.032 10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.801 -0.468 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.542 -1.221 8.982 1.00 0.00 H new ATOM 482 N VAL A 31 5.430 0.422 10.263 1.00 0.00 N ATOM 483 CA VAL A 31 4.006 0.874 10.349 1.00 0.00 C ATOM 484 C VAL A 31 3.662 1.665 9.092 1.00 0.00 C ATOM 485 O VAL A 31 4.387 2.552 8.688 1.00 0.00 O ATOM 486 CB VAL A 31 3.835 1.769 11.586 1.00 0.00 C ATOM 487 CG1 VAL A 31 2.458 2.441 11.560 1.00 0.00 C ATOM 488 CG2 VAL A 31 3.961 0.916 12.851 1.00 0.00 C ATOM 0 H VAL A 31 6.122 1.166 10.355 1.00 0.00 H new ATOM 0 HA VAL A 31 3.344 0.012 10.432 1.00 0.00 H new ATOM 0 HB VAL A 31 4.608 2.538 11.581 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.345 3.074 12.440 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.368 3.051 10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.680 1.677 11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.840 1.549 13.730 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.189 0.146 12.849 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.944 0.445 12.876 1.00 0.00 H new ATOM 498 N LEU A 32 2.559 1.345 8.471 1.00 0.00 N ATOM 499 CA LEU A 32 2.142 2.069 7.233 1.00 0.00 C ATOM 500 C LEU A 32 0.949 2.953 7.569 1.00 0.00 C ATOM 501 O LEU A 32 -0.096 2.476 7.966 1.00 0.00 O ATOM 502 CB LEU A 32 1.729 1.042 6.173 1.00 0.00 C ATOM 503 CG LEU A 32 1.445 1.739 4.837 1.00 0.00 C ATOM 504 CD1 LEU A 32 2.727 2.400 4.291 1.00 0.00 C ATOM 505 CD2 LEU A 32 0.929 0.696 3.842 1.00 0.00 C ATOM 0 H LEU A 32 1.922 0.606 8.770 1.00 0.00 H new ATOM 0 HA LEU A 32 2.963 2.678 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.521 0.304 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.842 0.503 6.505 1.00 0.00 H new ATOM 0 HG LEU A 32 0.697 2.518 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.508 2.890 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.088 3.139 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.492 1.639 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.722 1.176 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.683 -0.079 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.014 0.247 4.228 1.00 0.00 H new ATOM 517 N SER A 33 1.096 4.242 7.414 1.00 0.00 N ATOM 518 CA SER A 33 -0.027 5.177 7.720 1.00 0.00 C ATOM 519 C SER A 33 -0.631 5.657 6.407 1.00 0.00 C ATOM 520 O SER A 33 0.055 6.196 5.560 1.00 0.00 O ATOM 521 CB SER A 33 0.510 6.377 8.501 1.00 0.00 C ATOM 522 OG SER A 33 -0.577 7.175 8.946 1.00 0.00 O ATOM 0 H SER A 33 1.951 4.691 7.086 1.00 0.00 H new ATOM 0 HA SER A 33 -0.785 4.669 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.098 6.037 9.353 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.175 6.967 7.870 1.00 0.00 H new ATOM 0 HG SER A 33 -0.234 7.944 9.448 1.00 0.00 H new ATOM 528 N ILE A 34 -1.908 5.459 6.224 1.00 0.00 N ATOM 529 CA ILE A 34 -2.574 5.888 4.957 1.00 0.00 C ATOM 530 C ILE A 34 -3.415 7.134 5.222 1.00 0.00 C ATOM 531 O ILE A 34 -4.210 7.174 6.139 1.00 0.00 O ATOM 532 CB ILE A 34 -3.471 4.752 4.461 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.606 3.519 4.192 1.00 0.00 C ATOM 534 CG2 ILE A 34 -4.182 5.173 3.171 1.00 0.00 C ATOM 535 CD1 ILE A 34 -3.504 2.306 3.945 1.00 0.00 C ATOM 0 H ILE A 34 -2.526 5.014 6.903 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.824 6.119 4.201 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.221 4.521 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.966 3.693 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.949 3.331 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.819 4.359 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.793 6.055 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.441 5.405 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.886 1.429 3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.125 2.128 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.142 2.496 3.082 1.00 0.00 H new ATOM 547 N LYS A 35 -3.237 8.154 4.421 1.00 0.00 N ATOM 548 CA LYS A 35 -4.011 9.423 4.601 1.00 0.00 C ATOM 549 C LYS A 35 -4.819 9.706 3.334 1.00 0.00 C ATOM 550 O LYS A 35 -4.347 9.519 2.229 1.00 0.00 O ATOM 551 CB LYS A 35 -3.038 10.578 4.846 1.00 0.00 C ATOM 552 CG LYS A 35 -2.405 10.426 6.228 1.00 0.00 C ATOM 553 CD LYS A 35 -1.412 11.566 6.460 1.00 0.00 C ATOM 554 CE LYS A 35 -0.740 11.386 7.820 1.00 0.00 C ATOM 555 NZ LYS A 35 -1.750 11.581 8.899 1.00 0.00 N ATOM 0 H LYS A 35 -2.581 8.163 3.640 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.685 9.323 5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.264 10.585 4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.563 11.531 4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.177 10.439 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.896 9.465 6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.661 11.575 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.928 12.526 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.301 10.391 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.074 12.102 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.395 12.278 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.639 11.925 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.921 10.676 9.382 1.00 0.00 H new ATOM 569 N GLY A 36 -6.032 10.152 3.489 1.00 0.00 N ATOM 570 CA GLY A 36 -6.876 10.443 2.295 1.00 0.00 C ATOM 571 C GLY A 36 -8.251 10.920 2.760 1.00 0.00 C ATOM 572 O GLY A 36 -8.380 11.529 3.802 1.00 0.00 O ATOM 0 H GLY A 36 -6.477 10.328 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.403 11.206 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.976 9.550 1.679 1.00 0.00 H new ATOM 576 N GLU A 37 -9.281 10.649 1.996 1.00 0.00 N ATOM 577 CA GLU A 37 -10.656 11.088 2.398 1.00 0.00 C ATOM 578 C GLU A 37 -11.635 9.922 2.225 1.00 0.00 C ATOM 579 O GLU A 37 -11.541 9.151 1.291 1.00 0.00 O ATOM 580 CB GLU A 37 -11.097 12.254 1.512 1.00 0.00 C ATOM 581 CG GLU A 37 -10.128 13.426 1.689 1.00 0.00 C ATOM 582 CD GLU A 37 -10.627 14.625 0.882 1.00 0.00 C ATOM 583 OE1 GLU A 37 -11.815 14.673 0.605 1.00 0.00 O ATOM 584 OE2 GLU A 37 -9.818 15.485 0.576 1.00 0.00 O ATOM 0 H GLU A 37 -9.230 10.143 1.112 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.646 11.405 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.120 11.942 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.109 12.562 1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.049 13.691 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.130 13.140 1.357 1.00 0.00 H new ATOM 591 N LYS A 38 -12.578 9.798 3.123 1.00 0.00 N ATOM 592 CA LYS A 38 -13.582 8.696 3.029 1.00 0.00 C ATOM 593 C LYS A 38 -12.881 7.336 2.938 1.00 0.00 C ATOM 594 O LYS A 38 -13.064 6.593 1.997 1.00 0.00 O ATOM 595 CB LYS A 38 -14.460 8.907 1.794 1.00 0.00 C ATOM 596 CG LYS A 38 -15.285 10.178 1.983 1.00 0.00 C ATOM 597 CD LYS A 38 -16.182 10.403 0.765 1.00 0.00 C ATOM 598 CE LYS A 38 -17.029 11.661 0.984 1.00 0.00 C ATOM 599 NZ LYS A 38 -16.194 12.869 0.731 1.00 0.00 N ATOM 0 H LYS A 38 -12.696 10.418 3.924 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.202 8.709 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.840 8.989 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.117 8.050 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.894 10.096 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.624 11.034 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.574 10.512 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.828 9.539 0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.890 11.654 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.416 11.680 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.784 13.722 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.425 12.912 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.790 12.818 -0.226 1.00 0.00 H new ATOM 613 N LEU A 39 -12.103 6.998 3.931 1.00 0.00 N ATOM 614 CA LEU A 39 -11.406 5.677 3.945 1.00 0.00 C ATOM 615 C LEU A 39 -12.315 4.685 4.670 1.00 0.00 C ATOM 616 O LEU A 39 -12.095 4.349 5.816 1.00 0.00 O ATOM 617 CB LEU A 39 -10.070 5.809 4.689 1.00 0.00 C ATOM 618 CG LEU A 39 -9.028 6.431 3.754 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.557 7.762 3.216 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.727 6.675 4.523 1.00 0.00 C ATOM 0 H LEU A 39 -11.918 7.587 4.743 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.202 5.334 2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.195 6.429 5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.732 4.830 5.029 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.836 5.751 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.816 8.206 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.482 7.590 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.750 8.440 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.987 7.117 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.918 7.354 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.348 5.728 4.907 1.00 0.00 H new ATOM 632 N GLY A 40 -13.370 4.260 4.025 1.00 0.00 N ATOM 633 CA GLY A 40 -14.344 3.332 4.689 1.00 0.00 C ATOM 634 C GLY A 40 -14.014 1.861 4.419 1.00 0.00 C ATOM 635 O GLY A 40 -12.962 1.519 3.906 1.00 0.00 O ATOM 0 H GLY A 40 -13.603 4.514 3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.341 3.512 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.351 3.549 4.333 1.00 0.00 H new ATOM 697 N GLN A 50 -6.907 -11.175 5.931 1.00 0.00 N ATOM 698 CA GLN A 50 -6.445 -9.995 5.128 1.00 0.00 C ATOM 699 C GLN A 50 -7.357 -8.803 5.412 1.00 0.00 C ATOM 700 O GLN A 50 -8.462 -8.963 5.889 1.00 0.00 O ATOM 701 CB GLN A 50 -6.491 -10.328 3.634 1.00 0.00 C ATOM 702 CG GLN A 50 -7.921 -10.693 3.225 1.00 0.00 C ATOM 703 CD GLN A 50 -7.922 -11.150 1.766 1.00 0.00 C ATOM 704 OE1 GLN A 50 -8.330 -10.418 0.887 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.478 -12.341 1.470 1.00 0.00 N ATOM 0 HA GLN A 50 -5.420 -9.750 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.143 -9.475 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.818 -11.158 3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.305 -11.485 3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.579 -9.833 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.135 -12.956 2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.474 -12.657 0.500 1.00 0.00 H new ATOM 714 N VAL A 51 -6.898 -7.607 5.125 1.00 0.00 N ATOM 715 CA VAL A 51 -7.730 -6.387 5.379 1.00 0.00 C ATOM 716 C VAL A 51 -8.019 -5.685 4.054 1.00 0.00 C ATOM 717 O VAL A 51 -7.351 -5.912 3.066 1.00 0.00 O ATOM 718 CB VAL A 51 -6.970 -5.433 6.304 1.00 0.00 C ATOM 719 CG1 VAL A 51 -6.808 -6.083 7.680 1.00 0.00 C ATOM 720 CG2 VAL A 51 -5.585 -5.139 5.716 1.00 0.00 C ATOM 0 H VAL A 51 -5.978 -7.423 4.724 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.668 -6.679 5.850 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.528 -4.502 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.267 -5.406 8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.791 -6.293 8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.250 -7.014 7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.046 -4.460 6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.026 -6.070 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.697 -4.678 4.734 1.00 0.00 H new ATOM 730 N GLU A 52 -9.015 -4.836 4.025 1.00 0.00 N ATOM 731 CA GLU A 52 -9.359 -4.114 2.760 1.00 0.00 C ATOM 732 C GLU A 52 -9.708 -2.661 3.081 1.00 0.00 C ATOM 733 O GLU A 52 -10.397 -2.374 4.039 1.00 0.00 O ATOM 734 CB GLU A 52 -10.561 -4.792 2.101 1.00 0.00 C ATOM 735 CG GLU A 52 -10.372 -6.309 2.137 1.00 0.00 C ATOM 736 CD GLU A 52 -11.425 -6.972 1.249 1.00 0.00 C ATOM 737 OE1 GLU A 52 -12.563 -6.530 1.283 1.00 0.00 O ATOM 738 OE2 GLU A 52 -11.075 -7.901 0.541 1.00 0.00 O ATOM 0 H GLU A 52 -9.607 -4.610 4.825 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.506 -4.141 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.478 -4.516 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.665 -4.452 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.372 -6.570 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.461 -6.674 3.160 1.00 0.00 H new ATOM 745 N VAL A 53 -9.235 -1.743 2.279 1.00 0.00 N ATOM 746 CA VAL A 53 -9.526 -0.292 2.510 1.00 0.00 C ATOM 747 C VAL A 53 -10.014 0.322 1.199 1.00 0.00 C ATOM 748 O VAL A 53 -9.462 0.069 0.149 1.00 0.00 O ATOM 749 CB VAL A 53 -8.247 0.421 2.969 1.00 0.00 C ATOM 750 CG1 VAL A 53 -8.458 1.939 2.942 1.00 0.00 C ATOM 751 CG2 VAL A 53 -7.906 -0.019 4.395 1.00 0.00 C ATOM 0 H VAL A 53 -8.653 -1.937 1.464 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.290 -0.182 3.279 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.429 0.161 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.546 2.439 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.701 2.255 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.277 2.204 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.998 0.486 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.728 0.241 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.749 -1.097 4.415 1.00 0.00 H new ATOM 761 N GLU A 54 -11.042 1.131 1.251 1.00 0.00 N ATOM 762 CA GLU A 54 -11.566 1.779 0.006 1.00 0.00 C ATOM 763 C GLU A 54 -11.555 3.296 0.195 1.00 0.00 C ATOM 764 O GLU A 54 -12.046 3.818 1.186 1.00 0.00 O ATOM 765 CB GLU A 54 -12.993 1.281 -0.269 1.00 0.00 C ATOM 766 CG GLU A 54 -13.993 1.923 0.708 1.00 0.00 C ATOM 767 CD GLU A 54 -14.408 3.315 0.213 1.00 0.00 C ATOM 768 OE1 GLU A 54 -13.932 3.725 -0.831 1.00 0.00 O ATOM 769 OE2 GLU A 54 -15.198 3.950 0.896 1.00 0.00 O ATOM 0 H GLU A 54 -11.544 1.373 2.105 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.938 1.520 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.275 1.520 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.029 0.196 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.873 1.288 0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.544 2.001 1.698 1.00 0.00 H new ATOM 776 N GLY A 55 -10.995 4.005 -0.745 1.00 0.00 N ATOM 777 CA GLY A 55 -10.940 5.489 -0.628 1.00 0.00 C ATOM 778 C GLY A 55 -9.850 6.026 -1.555 1.00 0.00 C ATOM 779 O GLY A 55 -9.155 5.277 -2.214 1.00 0.00 O ATOM 0 H GLY A 55 -10.573 3.621 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.905 5.923 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.732 5.777 0.402 1.00 0.00 H new ATOM 783 N LEU A 56 -9.698 7.321 -1.616 1.00 0.00 N ATOM 784 CA LEU A 56 -8.651 7.921 -2.499 1.00 0.00 C ATOM 785 C LEU A 56 -7.392 8.197 -1.674 1.00 0.00 C ATOM 786 O LEU A 56 -7.457 8.741 -0.590 1.00 0.00 O ATOM 787 CB LEU A 56 -9.167 9.234 -3.103 1.00 0.00 C ATOM 788 CG LEU A 56 -9.884 10.087 -2.024 1.00 0.00 C ATOM 789 CD1 LEU A 56 -9.686 11.579 -2.324 1.00 0.00 C ATOM 790 CD2 LEU A 56 -11.391 9.785 -2.013 1.00 0.00 C ATOM 0 H LEU A 56 -10.256 7.994 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.417 7.226 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.335 9.797 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.855 9.019 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.456 9.839 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.192 12.173 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.621 11.813 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.104 11.812 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.878 10.392 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.816 10.019 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.549 8.729 -1.792 1.00 0.00 H new ATOM 802 N ILE A 57 -6.245 7.831 -2.178 1.00 0.00 N ATOM 803 CA ILE A 57 -4.983 8.078 -1.416 1.00 0.00 C ATOM 804 C ILE A 57 -4.409 9.442 -1.797 1.00 0.00 C ATOM 805 O ILE A 57 -3.944 9.649 -2.902 1.00 0.00 O ATOM 806 CB ILE A 57 -3.972 6.980 -1.748 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.496 5.648 -1.198 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.617 7.308 -1.116 1.00 0.00 C ATOM 809 CD1 ILE A 57 -3.593 4.500 -1.655 1.00 0.00 C ATOM 0 H ILE A 57 -6.125 7.373 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.194 8.068 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.843 6.910 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.530 5.683 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.516 5.479 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.903 6.521 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.254 8.259 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.728 7.378 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.973 3.558 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.581 4.458 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.580 4.665 -1.287 1.00 0.00 H new ATOM 821 N ASP A 58 -4.428 10.372 -0.879 1.00 0.00 N ATOM 822 CA ASP A 58 -3.873 11.731 -1.164 1.00 0.00 C ATOM 823 C ASP A 58 -2.463 11.834 -0.587 1.00 0.00 C ATOM 824 O ASP A 58 -1.701 12.710 -0.945 1.00 0.00 O ATOM 825 CB ASP A 58 -4.771 12.792 -0.524 1.00 0.00 C ATOM 826 CG ASP A 58 -6.200 12.622 -1.044 1.00 0.00 C ATOM 827 OD1 ASP A 58 -6.390 12.748 -2.241 1.00 0.00 O ATOM 828 OD2 ASP A 58 -7.075 12.359 -0.238 1.00 0.00 O ATOM 0 H ASP A 58 -4.805 10.250 0.061 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.835 11.893 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.752 12.695 0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.401 13.790 -0.761 1.00 0.00 H new ATOM 833 N ALA A 59 -2.103 10.950 0.307 1.00 0.00 N ATOM 834 CA ALA A 59 -0.737 11.019 0.897 1.00 0.00 C ATOM 835 C ALA A 59 -0.379 9.684 1.566 1.00 0.00 C ATOM 836 O ALA A 59 -1.235 8.948 2.015 1.00 0.00 O ATOM 837 CB ALA A 59 -0.696 12.148 1.930 1.00 0.00 C ATOM 0 H ALA A 59 -2.691 10.191 0.650 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.011 11.216 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.301 12.205 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.934 13.094 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.425 11.949 2.715 1.00 0.00 H new ATOM 843 N LEU A 60 0.896 9.387 1.641 1.00 0.00 N ATOM 844 CA LEU A 60 1.363 8.117 2.285 1.00 0.00 C ATOM 845 C LEU A 60 2.545 8.446 3.196 1.00 0.00 C ATOM 846 O LEU A 60 3.429 9.197 2.831 1.00 0.00 O ATOM 847 CB LEU A 60 1.805 7.106 1.196 1.00 0.00 C ATOM 848 CG LEU A 60 0.987 5.801 1.296 1.00 0.00 C ATOM 849 CD1 LEU A 60 1.210 5.129 2.670 1.00 0.00 C ATOM 850 CD2 LEU A 60 -0.511 6.106 1.093 1.00 0.00 C ATOM 0 H LEU A 60 1.644 9.979 1.278 1.00 0.00 H new ATOM 0 HA LEU A 60 0.554 7.672 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.674 7.548 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.866 6.885 1.308 1.00 0.00 H new ATOM 0 HG LEU A 60 1.321 5.116 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.626 4.210 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.267 4.895 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.894 5.807 3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.084 5.181 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.848 6.802 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.662 6.551 0.109 1.00 0.00 H new ATOM 862 N VAL A 61 2.568 7.889 4.374 1.00 0.00 N ATOM 863 CA VAL A 61 3.692 8.158 5.319 1.00 0.00 C ATOM 864 C VAL A 61 4.145 6.843 5.966 1.00 0.00 C ATOM 865 O VAL A 61 3.358 6.116 6.538 1.00 0.00 O ATOM 866 CB VAL A 61 3.200 9.117 6.397 1.00 0.00 C ATOM 867 CG1 VAL A 61 4.400 9.747 7.110 1.00 0.00 C ATOM 868 CG2 VAL A 61 2.347 10.205 5.737 1.00 0.00 C ATOM 0 H VAL A 61 1.852 7.254 4.727 1.00 0.00 H new ATOM 0 HA VAL A 61 4.534 8.598 4.784 1.00 0.00 H new ATOM 0 HB VAL A 61 2.600 8.579 7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.047 10.432 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.002 8.964 7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.006 10.294 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.989 10.898 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.949 10.747 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.496 9.745 5.235 1.00 0.00 H new ATOM 878 N TYR A 62 5.409 6.555 5.903 1.00 0.00 N ATOM 879 CA TYR A 62 5.943 5.311 6.534 1.00 0.00 C ATOM 880 C TYR A 62 7.330 5.667 7.085 1.00 0.00 C ATOM 881 O TYR A 62 8.054 6.416 6.460 1.00 0.00 O ATOM 882 CB TYR A 62 6.036 4.201 5.473 1.00 0.00 C ATOM 883 CG TYR A 62 6.821 3.028 6.008 1.00 0.00 C ATOM 884 CD1 TYR A 62 8.217 3.086 6.042 1.00 0.00 C ATOM 885 CD2 TYR A 62 6.156 1.881 6.460 1.00 0.00 C ATOM 886 CE1 TYR A 62 8.952 1.997 6.527 1.00 0.00 C ATOM 887 CE2 TYR A 62 6.888 0.793 6.946 1.00 0.00 C ATOM 888 CZ TYR A 62 8.286 0.851 6.979 1.00 0.00 C ATOM 889 OH TYR A 62 9.010 -0.224 7.455 1.00 0.00 O ATOM 0 H TYR A 62 6.109 7.132 5.436 1.00 0.00 H new ATOM 0 HA TYR A 62 5.298 4.946 7.334 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.035 3.877 5.187 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.515 4.588 4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.729 3.971 5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.077 1.837 6.433 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.031 2.041 6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.375 -0.091 7.295 1.00 0.00 H new ATOM 0 HH TYR A 62 9.846 0.096 7.854 1.00 0.00 H new ATOM 899 N PRO A 63 7.700 5.192 8.252 1.00 0.00 N ATOM 900 CA PRO A 63 9.022 5.554 8.846 1.00 0.00 C ATOM 901 C PRO A 63 10.207 5.056 8.031 1.00 0.00 C ATOM 902 O PRO A 63 10.822 4.066 8.373 1.00 0.00 O ATOM 903 CB PRO A 63 9.021 4.888 10.232 1.00 0.00 C ATOM 904 CG PRO A 63 7.977 3.813 10.158 1.00 0.00 C ATOM 905 CD PRO A 63 6.940 4.279 9.128 1.00 0.00 C ATOM 0 HA PRO A 63 9.138 6.637 8.880 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.000 4.469 10.467 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.787 5.610 11.014 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.420 2.863 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.513 3.656 11.132 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.527 3.440 8.569 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.102 4.787 9.605 1.00 0.00 H new ATOM 913 N LEU A 64 10.563 5.737 6.977 1.00 0.00 N ATOM 914 CA LEU A 64 11.736 5.298 6.188 1.00 0.00 C ATOM 915 C LEU A 64 12.912 6.201 6.520 1.00 0.00 C ATOM 916 O LEU A 64 13.217 7.142 5.818 1.00 0.00 O ATOM 917 CB LEU A 64 11.416 5.371 4.691 1.00 0.00 C ATOM 918 CG LEU A 64 12.626 4.943 3.801 1.00 0.00 C ATOM 919 CD1 LEU A 64 13.508 6.147 3.405 1.00 0.00 C ATOM 920 CD2 LEU A 64 13.513 3.884 4.490 1.00 0.00 C ATOM 0 H LEU A 64 10.092 6.574 6.633 1.00 0.00 H new ATOM 0 HA LEU A 64 11.986 4.266 6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.563 4.728 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.122 6.389 4.434 1.00 0.00 H new ATOM 0 HG LEU A 64 12.187 4.508 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.337 5.803 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.911 6.866 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.899 6.623 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 64 14.341 3.619 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.906 4.290 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.919 2.995 4.703 1.00 0.00 H new ATOM 1082 N ASN B 3 7.228 -13.647 6.494 1.00 0.00 N ATOM 1083 CA ASN B 3 7.233 -12.163 6.270 1.00 0.00 C ATOM 1084 C ASN B 3 6.766 -11.844 4.850 1.00 0.00 C ATOM 1085 O ASN B 3 6.844 -10.717 4.408 1.00 0.00 O ATOM 1086 CB ASN B 3 8.656 -11.635 6.438 1.00 0.00 C ATOM 1087 CG ASN B 3 9.594 -12.442 5.543 1.00 0.00 C ATOM 1088 OD1 ASN B 3 9.597 -13.655 5.584 1.00 0.00 O ATOM 1089 ND2 ASN B 3 10.390 -11.817 4.721 1.00 0.00 N ATOM 0 HA ASN B 3 6.562 -11.695 6.991 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.699 -10.579 6.173 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.967 -11.716 7.480 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.014 -12.347 4.113 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.388 -10.798 4.686 1.00 0.00 H new ATOM 1096 N ARG B 4 6.289 -12.817 4.128 1.00 0.00 N ATOM 1097 CA ARG B 4 5.832 -12.547 2.735 1.00 0.00 C ATOM 1098 C ARG B 4 4.535 -11.743 2.776 1.00 0.00 C ATOM 1099 O ARG B 4 3.696 -11.938 3.635 1.00 0.00 O ATOM 1100 CB ARG B 4 5.583 -13.868 2.000 1.00 0.00 C ATOM 1101 CG ARG B 4 6.874 -14.701 1.928 1.00 0.00 C ATOM 1102 CD ARG B 4 7.824 -14.114 0.875 1.00 0.00 C ATOM 1103 NE ARG B 4 7.107 -13.994 -0.433 1.00 0.00 N ATOM 1104 CZ ARG B 4 7.152 -14.963 -1.316 1.00 0.00 C ATOM 1105 NH1 ARG B 4 7.845 -16.045 -1.080 1.00 0.00 N ATOM 1106 NH2 ARG B 4 6.495 -14.849 -2.439 1.00 0.00 N ATOM 0 H ARG B 4 6.195 -13.784 4.439 1.00 0.00 H new ATOM 0 HA ARG B 4 6.602 -11.983 2.209 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.806 -14.435 2.513 1.00 0.00 H new ATOM 0 HB3 ARG B 4 5.217 -13.667 0.993 1.00 0.00 H new ATOM 0 HG2 ARG B 4 7.362 -14.714 2.902 1.00 0.00 H new ATOM 0 HG3 ARG B 4 6.635 -15.735 1.678 1.00 0.00 H new ATOM 0 HD2 ARG B 4 8.181 -13.136 1.197 1.00 0.00 H new ATOM 0 HD3 ARG B 4 8.700 -14.753 0.764 1.00 0.00 H new ATOM 0 HE ARG B 4 6.577 -13.148 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG B 4 8.357 -16.142 -0.203 1.00 0.00 H new ATOM 0 HH12 ARG B 4 7.874 -16.793 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG B 4 5.949 -14.008 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG B 4 6.528 -15.601 -3.128 1.00 0.00 H new ATOM 1120 N GLN B 5 4.367 -10.832 1.853 1.00 0.00 N ATOM 1121 CA GLN B 5 3.127 -10.005 1.835 1.00 0.00 C ATOM 1122 C GLN B 5 2.749 -9.679 0.390 1.00 0.00 C ATOM 1123 O GLN B 5 3.588 -9.613 -0.486 1.00 0.00 O ATOM 1124 CB GLN B 5 3.379 -8.708 2.605 1.00 0.00 C ATOM 1125 CG GLN B 5 2.059 -7.971 2.838 1.00 0.00 C ATOM 1126 CD GLN B 5 2.266 -6.909 3.917 1.00 0.00 C ATOM 1127 OE1 GLN B 5 2.940 -5.922 3.698 1.00 0.00 O ATOM 1128 NE2 GLN B 5 1.727 -7.086 5.093 1.00 0.00 N ATOM 0 H GLN B 5 5.036 -10.626 1.111 1.00 0.00 H new ATOM 0 HA GLN B 5 2.311 -10.556 2.303 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.855 -8.930 3.560 1.00 0.00 H new ATOM 0 HB3 GLN B 5 4.066 -8.072 2.047 1.00 0.00 H new ATOM 0 HG2 GLN B 5 1.719 -7.506 1.913 1.00 0.00 H new ATOM 0 HG3 GLN B 5 1.284 -8.674 3.145 1.00 0.00 H new ATOM 0 HE21 GLN B 5 1.161 -7.915 5.275 1.00 0.00 H new ATOM 0 HE22 GLN B 5 1.871 -6.395 5.829 1.00 0.00 H new ATOM 1137 N PHE B 6 1.483 -9.466 0.150 1.00 0.00 N ATOM 1138 CA PHE B 6 0.998 -9.131 -1.225 1.00 0.00 C ATOM 1139 C PHE B 6 0.234 -7.810 -1.138 1.00 0.00 C ATOM 1140 O PHE B 6 -0.422 -7.539 -0.154 1.00 0.00 O ATOM 1141 CB PHE B 6 0.057 -10.240 -1.707 1.00 0.00 C ATOM 1142 CG PHE B 6 0.599 -11.575 -1.261 1.00 0.00 C ATOM 1143 CD1 PHE B 6 0.472 -11.961 0.079 1.00 0.00 C ATOM 1144 CD2 PHE B 6 1.233 -12.423 -2.177 1.00 0.00 C ATOM 1145 CE1 PHE B 6 0.973 -13.196 0.501 1.00 0.00 C ATOM 1146 CE2 PHE B 6 1.732 -13.660 -1.755 1.00 0.00 C ATOM 1147 CZ PHE B 6 1.606 -14.044 -0.415 1.00 0.00 C ATOM 0 H PHE B 6 0.751 -9.510 0.859 1.00 0.00 H new ATOM 0 HA PHE B 6 1.831 -9.043 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -0.944 -10.086 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -0.030 -10.213 -2.793 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -0.013 -11.305 0.786 1.00 0.00 H new ATOM 0 HD2 PHE B 6 1.337 -12.122 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE B 6 0.872 -13.496 1.534 1.00 0.00 H new ATOM 0 HE2 PHE B 6 2.214 -14.318 -2.463 1.00 0.00 H new ATOM 0 HZ PHE B 6 1.998 -14.996 -0.087 1.00 0.00 H new ATOM 1157 N LEU B 7 0.310 -6.989 -2.151 1.00 0.00 N ATOM 1158 CA LEU B 7 -0.425 -5.681 -2.116 1.00 0.00 C ATOM 1159 C LEU B 7 -1.207 -5.530 -3.419 1.00 0.00 C ATOM 1160 O LEU B 7 -0.656 -5.632 -4.496 1.00 0.00 O ATOM 1161 CB LEU B 7 0.586 -4.533 -1.971 1.00 0.00 C ATOM 1162 CG LEU B 7 -0.142 -3.210 -1.660 1.00 0.00 C ATOM 1163 CD1 LEU B 7 0.873 -2.201 -1.112 1.00 0.00 C ATOM 1164 CD2 LEU B 7 -0.811 -2.644 -2.933 1.00 0.00 C ATOM 0 H LEU B 7 0.846 -7.162 -3.001 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.112 -5.653 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.294 -4.762 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.163 -4.430 -2.890 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.920 -3.395 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.368 -1.261 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.323 -2.596 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.651 -2.027 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.319 -1.710 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.051 -2.458 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.535 -3.364 -3.314 1.00 0.00 H new ATOM 1176 N SER B 8 -2.491 -5.296 -3.324 1.00 0.00 N ATOM 1177 CA SER B 8 -3.330 -5.144 -4.552 1.00 0.00 C ATOM 1178 C SER B 8 -3.711 -3.676 -4.723 1.00 0.00 C ATOM 1179 O SER B 8 -4.050 -3.003 -3.772 1.00 0.00 O ATOM 1180 CB SER B 8 -4.605 -5.977 -4.398 1.00 0.00 C ATOM 1181 OG SER B 8 -5.468 -5.718 -5.496 1.00 0.00 O ATOM 0 H SER B 8 -2.997 -5.203 -2.444 1.00 0.00 H new ATOM 0 HA SER B 8 -2.769 -5.484 -5.423 1.00 0.00 H new ATOM 0 HB2 SER B 8 -4.358 -7.038 -4.357 1.00 0.00 H new ATOM 0 HB3 SER B 8 -5.104 -5.729 -3.461 1.00 0.00 H new ATOM 0 HG SER B 8 -4.955 -5.754 -6.330 1.00 0.00 H new ATOM 1187 N LEU B 9 -3.655 -3.164 -5.927 1.00 0.00 N ATOM 1188 CA LEU B 9 -4.015 -1.722 -6.136 1.00 0.00 C ATOM 1189 C LEU B 9 -4.611 -1.537 -7.537 1.00 0.00 C ATOM 1190 O LEU B 9 -4.351 -2.307 -8.443 1.00 0.00 O ATOM 1191 CB LEU B 9 -2.754 -0.855 -5.994 1.00 0.00 C ATOM 1192 CG LEU B 9 -3.142 0.624 -5.776 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -3.537 0.871 -4.310 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -1.955 1.522 -6.136 1.00 0.00 C ATOM 0 H LEU B 9 -3.379 -3.672 -6.767 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.750 -1.420 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -2.154 -1.208 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.138 -0.948 -6.888 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.994 0.857 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.807 1.919 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.389 0.242 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -2.696 0.628 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.229 2.566 -5.982 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -1.104 1.273 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -1.686 1.368 -7.181 1.00 0.00 H new ATOM 1206 N THR B 10 -5.411 -0.520 -7.723 1.00 0.00 N ATOM 1207 CA THR B 10 -6.018 -0.278 -9.066 1.00 0.00 C ATOM 1208 C THR B 10 -6.247 1.225 -9.254 1.00 0.00 C ATOM 1209 O THR B 10 -6.338 1.971 -8.299 1.00 0.00 O ATOM 1210 CB THR B 10 -7.351 -1.024 -9.171 1.00 0.00 C ATOM 1211 OG1 THR B 10 -7.990 -0.669 -10.391 1.00 0.00 O ATOM 1212 CG2 THR B 10 -8.255 -0.665 -7.989 1.00 0.00 C ATOM 0 H THR B 10 -5.671 0.154 -7.003 1.00 0.00 H new ATOM 0 HA THR B 10 -5.345 -0.642 -9.842 1.00 0.00 H new ATOM 0 HB THR B 10 -7.164 -2.098 -9.152 1.00 0.00 H new ATOM 0 HG1 THR B 10 -8.843 -1.145 -10.464 1.00 0.00 H new ATOM 0 HG21 THR B 10 -9.199 -1.203 -8.077 1.00 0.00 H new ATOM 0 HG22 THR B 10 -7.764 -0.944 -7.057 1.00 0.00 H new ATOM 0 HG23 THR B 10 -8.447 0.408 -7.990 1.00 0.00 H new ATOM 1220 N GLY B 11 -6.345 1.677 -10.476 1.00 0.00 N ATOM 1221 CA GLY B 11 -6.575 3.136 -10.722 1.00 0.00 C ATOM 1222 C GLY B 11 -5.236 3.856 -10.899 1.00 0.00 C ATOM 1223 O GLY B 11 -5.169 5.069 -10.877 1.00 0.00 O ATOM 0 H GLY B 11 -6.276 1.102 -11.316 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -7.190 3.270 -11.612 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -7.124 3.572 -9.887 1.00 0.00 H new ATOM 1227 N VAL B 12 -4.168 3.127 -11.075 1.00 0.00 N ATOM 1228 CA VAL B 12 -2.837 3.779 -11.253 1.00 0.00 C ATOM 1229 C VAL B 12 -2.819 4.535 -12.581 1.00 0.00 C ATOM 1230 O VAL B 12 -3.260 4.033 -13.596 1.00 0.00 O ATOM 1231 CB VAL B 12 -1.744 2.710 -11.259 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -0.391 3.356 -11.563 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -1.690 2.028 -9.889 1.00 0.00 C ATOM 0 H VAL B 12 -4.158 2.107 -11.103 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.658 4.476 -10.434 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.968 1.969 -12.026 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.385 2.591 -11.566 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.429 3.838 -12.540 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.163 4.100 -10.800 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.911 1.266 -9.893 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.468 2.770 -9.122 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.652 1.562 -9.676 1.00 0.00 H new ATOM 1243 N SER B 13 -2.317 5.740 -12.581 1.00 0.00 N ATOM 1244 CA SER B 13 -2.284 6.525 -13.848 1.00 0.00 C ATOM 1245 C SER B 13 -1.230 5.942 -14.792 1.00 0.00 C ATOM 1246 O SER B 13 -1.481 5.754 -15.966 1.00 0.00 O ATOM 1247 CB SER B 13 -1.934 7.982 -13.537 1.00 0.00 C ATOM 1248 OG SER B 13 -3.050 8.613 -12.925 1.00 0.00 O ATOM 0 H SER B 13 -1.930 6.213 -11.764 1.00 0.00 H new ATOM 0 HA SER B 13 -3.263 6.476 -14.325 1.00 0.00 H new ATOM 0 HB2 SER B 13 -1.069 8.027 -12.876 1.00 0.00 H new ATOM 0 HB3 SER B 13 -1.663 8.506 -14.453 1.00 0.00 H new ATOM 0 HG SER B 13 -2.828 9.546 -12.723 1.00 0.00 H new ATOM 1254 N LYS B 14 -0.059 5.640 -14.295 1.00 0.00 N ATOM 1255 CA LYS B 14 0.994 5.057 -15.182 1.00 0.00 C ATOM 1256 C LYS B 14 2.181 4.597 -14.331 1.00 0.00 C ATOM 1257 O LYS B 14 2.360 5.032 -13.210 1.00 0.00 O ATOM 1258 CB LYS B 14 1.463 6.104 -16.202 1.00 0.00 C ATOM 1259 CG LYS B 14 2.230 7.251 -15.490 1.00 0.00 C ATOM 1260 CD LYS B 14 3.742 7.095 -15.707 1.00 0.00 C ATOM 1261 CE LYS B 14 4.478 8.254 -15.038 1.00 0.00 C ATOM 1262 NZ LYS B 14 5.946 8.091 -15.239 1.00 0.00 N ATOM 0 H LYS B 14 0.214 5.770 -13.321 1.00 0.00 H new ATOM 0 HA LYS B 14 0.578 4.204 -15.718 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.108 5.634 -16.945 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.604 6.510 -16.737 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.898 8.215 -15.876 1.00 0.00 H new ATOM 0 HG3 LYS B 14 2.006 7.241 -14.423 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.083 6.147 -15.292 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.966 7.076 -16.773 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.145 9.202 -15.460 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.246 8.280 -13.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 6.405 7.918 -14.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.122 7.285 -15.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.336 8.956 -15.663 1.00 0.00 H new ATOM 1276 N VAL B 15 2.990 3.716 -14.854 1.00 0.00 N ATOM 1277 CA VAL B 15 4.167 3.214 -14.082 1.00 0.00 C ATOM 1278 C VAL B 15 5.395 4.069 -14.398 1.00 0.00 C ATOM 1279 O VAL B 15 5.726 4.303 -15.543 1.00 0.00 O ATOM 1280 CB VAL B 15 4.436 1.764 -14.475 1.00 0.00 C ATOM 1281 CG1 VAL B 15 5.681 1.256 -13.743 1.00 0.00 C ATOM 1282 CG2 VAL B 15 3.224 0.906 -14.095 1.00 0.00 C ATOM 0 H VAL B 15 2.887 3.319 -15.788 1.00 0.00 H new ATOM 0 HA VAL B 15 3.958 3.274 -13.014 1.00 0.00 H new ATOM 0 HB VAL B 15 4.604 1.700 -15.550 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.872 0.220 -14.025 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.539 1.870 -14.016 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.520 1.315 -12.667 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.411 -0.131 -14.374 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.057 0.968 -13.020 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.341 1.270 -14.621 1.00 0.00 H new ATOM 1292 N GLN B 16 6.074 4.538 -13.382 1.00 0.00 N ATOM 1293 CA GLN B 16 7.285 5.383 -13.611 1.00 0.00 C ATOM 1294 C GLN B 16 8.516 4.490 -13.777 1.00 0.00 C ATOM 1295 O GLN B 16 9.480 4.859 -14.417 1.00 0.00 O ATOM 1296 CB GLN B 16 7.479 6.308 -12.410 1.00 0.00 C ATOM 1297 CG GLN B 16 8.688 7.216 -12.639 1.00 0.00 C ATOM 1298 CD GLN B 16 8.796 8.200 -11.473 1.00 0.00 C ATOM 1299 OE1 GLN B 16 8.959 7.797 -10.339 1.00 0.00 O ATOM 1300 NE2 GLN B 16 8.707 9.481 -11.703 1.00 0.00 N ATOM 0 H GLN B 16 5.842 4.372 -12.403 1.00 0.00 H new ATOM 0 HA GLN B 16 7.153 5.976 -14.516 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.584 6.912 -12.257 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.624 5.717 -11.505 1.00 0.00 H new ATOM 0 HG2 GLN B 16 9.598 6.620 -12.715 1.00 0.00 H new ATOM 0 HG3 GLN B 16 8.581 7.756 -13.580 1.00 0.00 H new ATOM 0 HE21 GLN B 16 8.570 9.820 -12.655 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.774 10.144 -10.931 1.00 0.00 H new ATOM 1309 N SER B 17 8.493 3.320 -13.202 1.00 0.00 N ATOM 1310 CA SER B 17 9.663 2.404 -13.322 1.00 0.00 C ATOM 1311 C SER B 17 9.293 1.043 -12.735 1.00 0.00 C ATOM 1312 O SER B 17 8.356 0.921 -11.973 1.00 0.00 O ATOM 1313 CB SER B 17 10.849 2.979 -12.552 1.00 0.00 C ATOM 1314 OG SER B 17 11.984 2.148 -12.750 1.00 0.00 O ATOM 0 H SER B 17 7.713 2.957 -12.653 1.00 0.00 H new ATOM 0 HA SER B 17 9.934 2.295 -14.372 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.062 3.992 -12.893 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.611 3.043 -11.490 1.00 0.00 H new ATOM 0 HG SER B 17 12.748 2.515 -12.258 1.00 0.00 H new ATOM 1320 N PHE B 18 10.019 0.017 -13.082 1.00 0.00 N ATOM 1321 CA PHE B 18 9.703 -1.335 -12.539 1.00 0.00 C ATOM 1322 C PHE B 18 10.991 -2.152 -12.398 1.00 0.00 C ATOM 1323 O PHE B 18 11.565 -2.605 -13.368 1.00 0.00 O ATOM 1324 CB PHE B 18 8.729 -2.048 -13.490 1.00 0.00 C ATOM 1325 CG PHE B 18 8.671 -3.526 -13.157 1.00 0.00 C ATOM 1326 CD1 PHE B 18 7.986 -3.964 -12.018 1.00 0.00 C ATOM 1327 CD2 PHE B 18 9.309 -4.454 -13.990 1.00 0.00 C ATOM 1328 CE1 PHE B 18 7.945 -5.328 -11.708 1.00 0.00 C ATOM 1329 CE2 PHE B 18 9.269 -5.818 -13.681 1.00 0.00 C ATOM 1330 CZ PHE B 18 8.585 -6.255 -12.542 1.00 0.00 C ATOM 0 H PHE B 18 10.816 0.055 -13.717 1.00 0.00 H new ATOM 0 HA PHE B 18 9.241 -1.235 -11.557 1.00 0.00 H new ATOM 0 HB2 PHE B 18 7.736 -1.608 -13.404 1.00 0.00 H new ATOM 0 HB3 PHE B 18 9.050 -1.911 -14.523 1.00 0.00 H new ATOM 0 HD1 PHE B 18 7.489 -3.250 -11.378 1.00 0.00 H new ATOM 0 HD2 PHE B 18 9.833 -4.116 -14.872 1.00 0.00 H new ATOM 0 HE1 PHE B 18 7.420 -5.666 -10.827 1.00 0.00 H new ATOM 0 HE2 PHE B 18 9.766 -6.532 -14.321 1.00 0.00 H new ATOM 0 HZ PHE B 18 8.550 -7.308 -12.305 1.00 0.00 H new ATOM 1340 N ASP B 19 11.428 -2.364 -11.181 1.00 0.00 N ATOM 1341 CA ASP B 19 12.660 -3.177 -10.933 1.00 0.00 C ATOM 1342 C ASP B 19 12.329 -4.186 -9.815 1.00 0.00 C ATOM 1343 O ASP B 19 11.781 -3.803 -8.802 1.00 0.00 O ATOM 1344 CB ASP B 19 13.800 -2.254 -10.471 1.00 0.00 C ATOM 1345 CG ASP B 19 14.507 -1.649 -11.686 1.00 0.00 C ATOM 1346 OD1 ASP B 19 13.981 -1.780 -12.779 1.00 0.00 O ATOM 1347 OD2 ASP B 19 15.563 -1.068 -11.501 1.00 0.00 O ATOM 0 H ASP B 19 10.978 -2.004 -10.339 1.00 0.00 H new ATOM 0 HA ASP B 19 12.973 -3.693 -11.841 1.00 0.00 H new ATOM 0 HB2 ASP B 19 13.403 -1.460 -9.838 1.00 0.00 H new ATOM 0 HB3 ASP B 19 14.513 -2.816 -9.868 1.00 0.00 H new ATOM 1352 N PRO B 20 12.630 -5.464 -9.968 1.00 0.00 N ATOM 1353 CA PRO B 20 12.317 -6.452 -8.899 1.00 0.00 C ATOM 1354 C PRO B 20 12.804 -5.979 -7.526 1.00 0.00 C ATOM 1355 O PRO B 20 12.296 -6.384 -6.501 1.00 0.00 O ATOM 1356 CB PRO B 20 13.047 -7.734 -9.332 1.00 0.00 C ATOM 1357 CG PRO B 20 13.215 -7.610 -10.814 1.00 0.00 C ATOM 1358 CD PRO B 20 13.292 -6.107 -11.126 1.00 0.00 C ATOM 0 HA PRO B 20 11.243 -6.600 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO B 20 14.012 -7.825 -8.833 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.470 -8.622 -9.074 1.00 0.00 H new ATOM 0 HG2 PRO B 20 14.119 -8.121 -11.145 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.378 -8.072 -11.338 1.00 0.00 H new ATOM 0 HD2 PRO B 20 14.325 -5.774 -11.231 1.00 0.00 H new ATOM 0 HD3 PRO B 20 12.784 -5.867 -12.060 1.00 0.00 H new ATOM 1366 N LYS B 21 13.797 -5.126 -7.503 1.00 0.00 N ATOM 1367 CA LYS B 21 14.336 -4.627 -6.201 1.00 0.00 C ATOM 1368 C LYS B 21 13.652 -3.310 -5.816 1.00 0.00 C ATOM 1369 O LYS B 21 13.847 -2.796 -4.732 1.00 0.00 O ATOM 1370 CB LYS B 21 15.841 -4.398 -6.343 1.00 0.00 C ATOM 1371 CG LYS B 21 16.541 -5.750 -6.522 1.00 0.00 C ATOM 1372 CD LYS B 21 18.042 -5.542 -6.792 1.00 0.00 C ATOM 1373 CE LYS B 21 18.802 -5.369 -5.471 1.00 0.00 C ATOM 1374 NZ LYS B 21 18.771 -6.648 -4.705 1.00 0.00 N ATOM 0 H LYS B 21 14.259 -4.753 -8.332 1.00 0.00 H new ATOM 0 HA LYS B 21 14.142 -5.365 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS B 21 16.044 -3.754 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.228 -3.888 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS B 21 16.406 -6.358 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS B 21 16.088 -6.295 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS B 21 18.441 -6.395 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS B 21 18.187 -4.663 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS B 21 19.833 -5.077 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS B 21 18.351 -4.570 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 19.623 -6.719 -4.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 17.926 -6.670 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 18.743 -7.449 -5.368 1.00 0.00 H new ATOM 1388 N GLU B 22 12.846 -2.768 -6.686 1.00 0.00 N ATOM 1389 CA GLU B 22 12.144 -1.491 -6.364 1.00 0.00 C ATOM 1390 C GLU B 22 11.120 -1.191 -7.460 1.00 0.00 C ATOM 1391 O GLU B 22 11.417 -1.282 -8.633 1.00 0.00 O ATOM 1392 CB GLU B 22 13.156 -0.351 -6.294 1.00 0.00 C ATOM 1393 CG GLU B 22 12.458 0.914 -5.790 1.00 0.00 C ATOM 1394 CD GLU B 22 13.484 2.036 -5.621 1.00 0.00 C ATOM 1395 OE1 GLU B 22 14.667 1.739 -5.648 1.00 0.00 O ATOM 1396 OE2 GLU B 22 13.067 3.171 -5.466 1.00 0.00 O ATOM 0 H GLU B 22 12.642 -3.154 -7.608 1.00 0.00 H new ATOM 0 HA GLU B 22 11.640 -1.586 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU B 22 13.976 -0.618 -5.628 1.00 0.00 H new ATOM 0 HB3 GLU B 22 13.590 -0.173 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU B 22 11.684 1.219 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU B 22 11.963 0.714 -4.839 1.00 0.00 H new ATOM 1403 N ILE B 23 9.917 -0.838 -7.087 1.00 0.00 N ATOM 1404 CA ILE B 23 8.863 -0.529 -8.108 1.00 0.00 C ATOM 1405 C ILE B 23 8.244 0.832 -7.804 1.00 0.00 C ATOM 1406 O ILE B 23 7.855 1.112 -6.689 1.00 0.00 O ATOM 1407 CB ILE B 23 7.774 -1.600 -8.055 1.00 0.00 C ATOM 1408 CG1 ILE B 23 8.393 -2.961 -8.386 1.00 0.00 C ATOM 1409 CG2 ILE B 23 6.681 -1.267 -9.075 1.00 0.00 C ATOM 1410 CD1 ILE B 23 7.364 -4.068 -8.151 1.00 0.00 C ATOM 0 H ILE B 23 9.615 -0.749 -6.117 1.00 0.00 H new ATOM 0 HA ILE B 23 9.314 -0.513 -9.100 1.00 0.00 H new ATOM 0 HB ILE B 23 7.335 -1.632 -7.058 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.727 -2.976 -9.423 1.00 0.00 H new ATOM 0 HG13 ILE B 23 9.273 -3.132 -7.765 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.904 -2.030 -9.038 1.00 0.00 H new ATOM 0 HG22 ILE B 23 6.247 -0.295 -8.839 1.00 0.00 H new ATOM 0 HG23 ILE B 23 7.113 -1.238 -10.075 1.00 0.00 H new ATOM 0 HD11 ILE B 23 7.809 -5.035 -8.388 1.00 0.00 H new ATOM 0 HD12 ILE B 23 7.051 -4.058 -7.107 1.00 0.00 H new ATOM 0 HD13 ILE B 23 6.497 -3.901 -8.791 1.00 0.00 H new ATOM 1422 N LEU B 24 8.145 1.675 -8.798 1.00 0.00 N ATOM 1423 CA LEU B 24 7.541 3.031 -8.598 1.00 0.00 C ATOM 1424 C LEU B 24 6.212 3.101 -9.350 1.00 0.00 C ATOM 1425 O LEU B 24 6.146 2.843 -10.534 1.00 0.00 O ATOM 1426 CB LEU B 24 8.497 4.098 -9.153 1.00 0.00 C ATOM 1427 CG LEU B 24 9.658 4.336 -8.167 1.00 0.00 C ATOM 1428 CD1 LEU B 24 10.861 4.910 -8.920 1.00 0.00 C ATOM 1429 CD2 LEU B 24 9.233 5.344 -7.092 1.00 0.00 C ATOM 0 H LEU B 24 8.459 1.483 -9.749 1.00 0.00 H new ATOM 0 HA LEU B 24 7.373 3.209 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.890 3.778 -10.118 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.956 5.029 -9.321 1.00 0.00 H new ATOM 0 HG LEU B 24 9.922 3.387 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU B 24 11.681 5.078 -8.222 1.00 0.00 H new ATOM 0 HD12 LEU B 24 11.178 4.206 -9.690 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.582 5.855 -9.385 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.059 5.507 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.964 6.289 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU B 24 8.374 4.954 -6.547 1.00 0.00 H new ATOM 1441 N LEU B 25 5.158 3.449 -8.662 1.00 0.00 N ATOM 1442 CA LEU B 25 3.816 3.544 -9.317 1.00 0.00 C ATOM 1443 C LEU B 25 3.269 4.955 -9.128 1.00 0.00 C ATOM 1444 O LEU B 25 3.041 5.402 -8.021 1.00 0.00 O ATOM 1445 CB LEU B 25 2.865 2.543 -8.657 1.00 0.00 C ATOM 1446 CG LEU B 25 3.457 1.134 -8.748 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.530 0.158 -8.026 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.601 0.718 -10.220 1.00 0.00 C ATOM 0 H LEU B 25 5.167 3.674 -7.667 1.00 0.00 H new ATOM 0 HA LEU B 25 3.905 3.322 -10.380 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.703 2.814 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.892 2.572 -9.148 1.00 0.00 H new ATOM 0 HG LEU B 25 4.442 1.122 -8.282 1.00 0.00 H new ATOM 0 HD11 LEU B 25 2.944 -0.849 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.437 0.451 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.547 0.175 -8.496 1.00 0.00 H new ATOM 0 HD21 LEU B 25 4.023 -0.286 -10.275 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.621 0.726 -10.698 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.261 1.418 -10.733 1.00 0.00 H new ATOM 1460 N GLU B 26 3.044 5.656 -10.203 1.00 0.00 N ATOM 1461 CA GLU B 26 2.496 7.035 -10.092 1.00 0.00 C ATOM 1462 C GLU B 26 0.973 6.945 -10.109 1.00 0.00 C ATOM 1463 O GLU B 26 0.383 6.510 -11.083 1.00 0.00 O ATOM 1464 CB GLU B 26 2.986 7.877 -11.281 1.00 0.00 C ATOM 1465 CG GLU B 26 2.446 9.331 -11.174 1.00 0.00 C ATOM 1466 CD GLU B 26 1.768 9.746 -12.486 1.00 0.00 C ATOM 1467 OE1 GLU B 26 1.072 8.921 -13.059 1.00 0.00 O ATOM 1468 OE2 GLU B 26 1.954 10.879 -12.894 1.00 0.00 O ATOM 0 H GLU B 26 3.216 5.333 -11.155 1.00 0.00 H new ATOM 0 HA GLU B 26 2.831 7.506 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU B 26 4.076 7.888 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.653 7.426 -12.216 1.00 0.00 H new ATOM 0 HG2 GLU B 26 1.735 9.402 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU B 26 3.265 10.014 -10.948 1.00 0.00 H new ATOM 1475 N THR B 27 0.329 7.340 -9.034 1.00 0.00 N ATOM 1476 CA THR B 27 -1.164 7.266 -8.970 1.00 0.00 C ATOM 1477 C THR B 27 -1.738 8.650 -8.659 1.00 0.00 C ATOM 1478 O THR B 27 -1.126 9.456 -7.975 1.00 0.00 O ATOM 1479 CB THR B 27 -1.571 6.280 -7.870 1.00 0.00 C ATOM 1480 OG1 THR B 27 -2.978 6.344 -7.682 1.00 0.00 O ATOM 1481 CG2 THR B 27 -0.858 6.634 -6.561 1.00 0.00 C ATOM 0 H THR B 27 0.777 7.711 -8.196 1.00 0.00 H new ATOM 0 HA THR B 27 -1.554 6.927 -9.930 1.00 0.00 H new ATOM 0 HB THR B 27 -1.286 5.270 -8.165 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.183 6.289 -6.725 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.153 5.929 -5.784 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.221 6.582 -6.709 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.134 7.644 -6.258 1.00 0.00 H new ATOM 1489 N ILE B 28 -2.918 8.916 -9.159 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.579 10.232 -8.923 1.00 0.00 C ATOM 1491 C ILE B 28 -2.587 11.369 -9.174 1.00 0.00 C ATOM 1492 O ILE B 28 -2.542 11.937 -10.248 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.101 10.298 -7.489 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -5.002 9.091 -7.229 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -4.917 11.579 -7.303 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -5.435 9.084 -5.763 1.00 0.00 C ATOM 0 H ILE B 28 -3.458 8.266 -9.729 1.00 0.00 H new ATOM 0 HA ILE B 28 -4.417 10.339 -9.612 1.00 0.00 H new ATOM 0 HB ILE B 28 -3.262 10.293 -6.794 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -5.877 9.131 -7.877 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -4.471 8.169 -7.467 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.290 11.627 -6.280 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.285 12.445 -7.500 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -5.758 11.579 -7.996 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -6.078 8.223 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -4.554 9.024 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -5.982 10.000 -5.541 1.00 0.00 H new ATOM 1508 N GLN B 29 -1.799 11.719 -8.192 1.00 0.00 N ATOM 1509 CA GLN B 29 -0.817 12.834 -8.373 1.00 0.00 C ATOM 1510 C GLN B 29 0.491 12.532 -7.634 1.00 0.00 C ATOM 1511 O GLN B 29 1.529 13.071 -7.959 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.416 14.114 -7.791 1.00 0.00 C ATOM 1513 CG GLN B 29 -1.763 13.889 -6.312 1.00 0.00 C ATOM 1514 CD GLN B 29 -2.373 15.163 -5.727 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -2.034 16.257 -6.132 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -3.261 15.063 -4.777 1.00 0.00 N ATOM 0 H GLN B 29 -1.791 11.282 -7.270 1.00 0.00 H new ATOM 0 HA GLN B 29 -0.607 12.947 -9.437 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -0.708 14.937 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -2.310 14.395 -8.347 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -2.465 13.060 -6.215 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -0.867 13.615 -5.756 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -3.544 14.143 -4.438 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -3.672 15.904 -4.373 1.00 0.00 H new ATOM 1525 N GLY B 30 0.453 11.694 -6.632 1.00 0.00 N ATOM 1526 CA GLY B 30 1.702 11.392 -5.865 1.00 0.00 C ATOM 1527 C GLY B 30 2.373 10.153 -6.439 1.00 0.00 C ATOM 1528 O GLY B 30 1.824 9.464 -7.275 1.00 0.00 O ATOM 0 H GLY B 30 -0.383 11.207 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.384 12.241 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.464 11.234 -4.813 1.00 0.00 H new ATOM 1532 N VAL B 31 3.564 9.865 -5.981 1.00 0.00 N ATOM 1533 CA VAL B 31 4.313 8.665 -6.467 1.00 0.00 C ATOM 1534 C VAL B 31 4.593 7.743 -5.281 1.00 0.00 C ATOM 1535 O VAL B 31 5.082 8.170 -4.254 1.00 0.00 O ATOM 1536 CB VAL B 31 5.635 9.121 -7.097 1.00 0.00 C ATOM 1537 CG1 VAL B 31 6.538 7.912 -7.362 1.00 0.00 C ATOM 1538 CG2 VAL B 31 5.343 9.838 -8.417 1.00 0.00 C ATOM 0 H VAL B 31 4.057 10.418 -5.280 1.00 0.00 H new ATOM 0 HA VAL B 31 3.725 8.129 -7.212 1.00 0.00 H new ATOM 0 HB VAL B 31 6.143 9.799 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL B 31 7.474 8.248 -7.809 1.00 0.00 H new ATOM 0 HG12 VAL B 31 6.748 7.402 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL B 31 6.036 7.225 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL B 31 6.280 10.164 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.831 9.156 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.710 10.705 -8.228 1.00 0.00 H new ATOM 1548 N LEU B 32 4.284 6.480 -5.421 1.00 0.00 N ATOM 1549 CA LEU B 32 4.528 5.501 -4.315 1.00 0.00 C ATOM 1550 C LEU B 32 5.642 4.547 -4.734 1.00 0.00 C ATOM 1551 O LEU B 32 5.599 3.957 -5.794 1.00 0.00 O ATOM 1552 CB LEU B 32 3.247 4.702 -4.051 1.00 0.00 C ATOM 1553 CG LEU B 32 3.437 3.767 -2.849 1.00 0.00 C ATOM 1554 CD1 LEU B 32 3.680 4.582 -1.566 1.00 0.00 C ATOM 1555 CD2 LEU B 32 2.173 2.913 -2.690 1.00 0.00 C ATOM 0 H LEU B 32 3.869 6.079 -6.262 1.00 0.00 H new ATOM 0 HA LEU B 32 4.817 6.032 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.418 5.384 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU B 32 2.985 4.120 -4.935 1.00 0.00 H new ATOM 0 HG LEU B 32 4.304 3.128 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.813 3.903 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.576 5.191 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.824 5.230 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.292 2.242 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.314 3.562 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU B 32 2.014 2.327 -3.595 1.00 0.00 H new ATOM 1567 N SER B 33 6.643 4.399 -3.905 1.00 0.00 N ATOM 1568 CA SER B 33 7.782 3.486 -4.233 1.00 0.00 C ATOM 1569 C SER B 33 7.763 2.304 -3.262 1.00 0.00 C ATOM 1570 O SER B 33 7.729 2.482 -2.057 1.00 0.00 O ATOM 1571 CB SER B 33 9.103 4.258 -4.082 1.00 0.00 C ATOM 1572 OG SER B 33 8.880 5.633 -4.369 1.00 0.00 O ATOM 0 H SER B 33 6.722 4.875 -3.007 1.00 0.00 H new ATOM 0 HA SER B 33 7.690 3.121 -5.256 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.490 4.144 -3.069 1.00 0.00 H new ATOM 0 HB3 SER B 33 9.855 3.851 -4.758 1.00 0.00 H new ATOM 0 HG SER B 33 8.512 6.077 -3.577 1.00 0.00 H new ATOM 1578 N ILE B 34 7.789 1.102 -3.777 1.00 0.00 N ATOM 1579 CA ILE B 34 7.779 -0.108 -2.895 1.00 0.00 C ATOM 1580 C ILE B 34 9.172 -0.721 -2.884 1.00 0.00 C ATOM 1581 O ILE B 34 9.745 -1.004 -3.917 1.00 0.00 O ATOM 1582 CB ILE B 34 6.777 -1.125 -3.442 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.378 -0.503 -3.446 1.00 0.00 C ATOM 1584 CG2 ILE B 34 6.781 -2.379 -2.563 1.00 0.00 C ATOM 1585 CD1 ILE B 34 4.413 -1.414 -4.205 1.00 0.00 C ATOM 0 H ILE B 34 7.817 0.903 -4.777 1.00 0.00 H new ATOM 0 HA ILE B 34 7.491 0.172 -1.882 1.00 0.00 H new ATOM 0 HB ILE B 34 7.057 -1.401 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE B 34 5.030 -0.360 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.408 0.481 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE B 34 6.066 -3.101 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE B 34 7.778 -2.819 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE B 34 6.502 -2.110 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.418 -0.969 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.758 -1.535 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.374 -2.389 -3.719 1.00 0.00 H new ATOM 1597 N LYS B 35 9.724 -0.924 -1.713 1.00 0.00 N ATOM 1598 CA LYS B 35 11.093 -1.519 -1.607 1.00 0.00 C ATOM 1599 C LYS B 35 11.009 -2.828 -0.826 1.00 0.00 C ATOM 1600 O LYS B 35 10.423 -2.891 0.240 1.00 0.00 O ATOM 1601 CB LYS B 35 12.007 -0.540 -0.870 1.00 0.00 C ATOM 1602 CG LYS B 35 12.249 0.686 -1.754 1.00 0.00 C ATOM 1603 CD LYS B 35 13.069 1.732 -0.989 1.00 0.00 C ATOM 1604 CE LYS B 35 14.539 1.304 -0.909 1.00 0.00 C ATOM 1605 NZ LYS B 35 15.364 2.453 -0.445 1.00 0.00 N ATOM 0 H LYS B 35 9.283 -0.702 -0.821 1.00 0.00 H new ATOM 0 HA LYS B 35 11.494 -1.714 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.552 -0.239 0.073 1.00 0.00 H new ATOM 0 HB3 LYS B 35 12.955 -1.021 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.776 0.392 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.296 1.115 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS B 35 12.992 2.699 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS B 35 12.665 1.857 0.016 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.648 0.464 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS B 35 14.884 0.965 -1.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 16.362 2.164 -0.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 15.268 3.242 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 15.039 2.756 0.495 1.00 0.00 H new ATOM 1619 N GLY B 36 11.589 -3.869 -1.351 1.00 0.00 N ATOM 1620 CA GLY B 36 11.544 -5.182 -0.650 1.00 0.00 C ATOM 1621 C GLY B 36 12.407 -6.191 -1.410 1.00 0.00 C ATOM 1622 O GLY B 36 13.406 -5.837 -2.000 1.00 0.00 O ATOM 0 H GLY B 36 12.094 -3.868 -2.237 1.00 0.00 H new ATOM 0 HA2 GLY B 36 11.906 -5.074 0.372 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.516 -5.539 -0.588 1.00 0.00 H new ATOM 1626 N GLU B 37 12.036 -7.447 -1.391 1.00 0.00 N ATOM 1627 CA GLU B 37 12.848 -8.487 -2.106 1.00 0.00 C ATOM 1628 C GLU B 37 11.914 -9.392 -2.924 1.00 0.00 C ATOM 1629 O GLU B 37 10.813 -9.699 -2.510 1.00 0.00 O ATOM 1630 CB GLU B 37 13.598 -9.346 -1.076 1.00 0.00 C ATOM 1631 CG GLU B 37 14.284 -8.451 -0.032 1.00 0.00 C ATOM 1632 CD GLU B 37 15.452 -7.704 -0.677 1.00 0.00 C ATOM 1633 OE1 GLU B 37 15.949 -8.180 -1.685 1.00 0.00 O ATOM 1634 OE2 GLU B 37 15.823 -6.666 -0.157 1.00 0.00 O ATOM 0 H GLU B 37 11.207 -7.800 -0.913 1.00 0.00 H new ATOM 0 HA GLU B 37 13.561 -7.996 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU B 37 12.902 -10.024 -0.582 1.00 0.00 H new ATOM 0 HB3 GLU B 37 14.341 -9.964 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU B 37 13.567 -7.739 0.378 1.00 0.00 H new ATOM 0 HG3 GLU B 37 14.643 -9.057 0.800 1.00 0.00 H new ATOM 1641 N LYS B 38 12.357 -9.826 -4.075 1.00 0.00 N ATOM 1642 CA LYS B 38 11.515 -10.724 -4.922 1.00 0.00 C ATOM 1643 C LYS B 38 10.135 -10.102 -5.160 1.00 0.00 C ATOM 1644 O LYS B 38 9.117 -10.699 -4.875 1.00 0.00 O ATOM 1645 CB LYS B 38 11.353 -12.077 -4.222 1.00 0.00 C ATOM 1646 CG LYS B 38 12.717 -12.765 -4.132 1.00 0.00 C ATOM 1647 CD LYS B 38 12.569 -14.130 -3.456 1.00 0.00 C ATOM 1648 CE LYS B 38 13.938 -14.809 -3.368 1.00 0.00 C ATOM 1649 NZ LYS B 38 13.796 -16.134 -2.702 1.00 0.00 N ATOM 0 H LYS B 38 13.270 -9.596 -4.467 1.00 0.00 H new ATOM 0 HA LYS B 38 12.006 -10.861 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS B 38 10.937 -11.936 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS B 38 10.652 -12.704 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.139 -12.887 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS B 38 13.411 -12.143 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.147 -14.009 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS B 38 11.877 -14.754 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.357 -14.935 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.631 -14.181 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 14.727 -16.594 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 13.414 -16.002 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 13.148 -16.732 -3.254 1.00 0.00 H new ATOM 1663 N LEU B 39 10.097 -8.917 -5.708 1.00 0.00 N ATOM 1664 CA LEU B 39 8.788 -8.258 -5.997 1.00 0.00 C ATOM 1665 C LEU B 39 8.285 -8.775 -7.346 1.00 0.00 C ATOM 1666 O LEU B 39 8.344 -8.092 -8.349 1.00 0.00 O ATOM 1667 CB LEU B 39 8.982 -6.737 -6.050 1.00 0.00 C ATOM 1668 CG LEU B 39 8.981 -6.170 -4.628 1.00 0.00 C ATOM 1669 CD1 LEU B 39 10.029 -6.898 -3.785 1.00 0.00 C ATOM 1670 CD2 LEU B 39 9.314 -4.677 -4.671 1.00 0.00 C ATOM 0 H LEU B 39 10.920 -8.374 -5.970 1.00 0.00 H new ATOM 0 HA LEU B 39 8.061 -8.487 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU B 39 9.922 -6.497 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU B 39 8.185 -6.279 -6.636 1.00 0.00 H new ATOM 0 HG LEU B 39 7.995 -6.311 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU B 39 10.027 -6.493 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU B 39 9.794 -7.962 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU B 39 11.014 -6.759 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.313 -4.275 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU B 39 10.299 -4.537 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU B 39 8.568 -4.155 -5.270 1.00 0.00 H new ATOM 1682 N GLY B 40 7.829 -9.997 -7.377 1.00 0.00 N ATOM 1683 CA GLY B 40 7.359 -10.598 -8.662 1.00 0.00 C ATOM 1684 C GLY B 40 6.014 -10.006 -9.107 1.00 0.00 C ATOM 1685 O GLY B 40 5.357 -9.287 -8.369 1.00 0.00 O ATOM 0 H GLY B 40 7.761 -10.610 -6.565 1.00 0.00 H new ATOM 0 HA2 GLY B 40 8.106 -10.428 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY B 40 7.261 -11.677 -8.545 1.00 0.00 H new ATOM 1764 N VAL B 51 -4.357 -5.250 -9.953 1.00 0.00 N ATOM 1765 CA VAL B 51 -2.986 -5.858 -9.982 1.00 0.00 C ATOM 1766 C VAL B 51 -2.662 -6.447 -8.616 1.00 0.00 C ATOM 1767 O VAL B 51 -3.176 -6.013 -7.605 1.00 0.00 O ATOM 1768 CB VAL B 51 -1.949 -4.772 -10.312 1.00 0.00 C ATOM 1769 CG1 VAL B 51 -1.917 -3.686 -9.192 1.00 0.00 C ATOM 1770 CG2 VAL B 51 -0.567 -5.434 -10.446 1.00 0.00 C ATOM 0 HA VAL B 51 -2.957 -6.641 -10.740 1.00 0.00 H new ATOM 0 HB VAL B 51 -2.220 -4.284 -11.248 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -1.177 -2.926 -9.443 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -2.900 -3.222 -9.107 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -1.652 -4.151 -8.242 1.00 0.00 H new ATOM 0 HG21 VAL B 51 0.179 -4.675 -10.680 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -0.305 -5.923 -9.508 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -0.594 -6.175 -11.245 1.00 0.00 H new ATOM 1780 N GLU B 52 -1.805 -7.428 -8.580 1.00 0.00 N ATOM 1781 CA GLU B 52 -1.424 -8.053 -7.279 1.00 0.00 C ATOM 1782 C GLU B 52 0.074 -8.364 -7.318 1.00 0.00 C ATOM 1783 O GLU B 52 0.535 -9.108 -8.159 1.00 0.00 O ATOM 1784 CB GLU B 52 -2.218 -9.348 -7.089 1.00 0.00 C ATOM 1785 CG GLU B 52 -3.699 -9.086 -7.387 1.00 0.00 C ATOM 1786 CD GLU B 52 -4.547 -10.248 -6.864 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -4.165 -10.831 -5.862 1.00 0.00 O ATOM 1788 OE2 GLU B 52 -5.573 -10.525 -7.464 1.00 0.00 O ATOM 0 H GLU B 52 -1.348 -7.828 -9.400 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.643 -7.378 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -1.834 -10.123 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -2.100 -9.713 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -4.014 -8.154 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -3.848 -8.969 -8.460 1.00 0.00 H new ATOM 1795 N VAL B 53 0.839 -7.788 -6.426 1.00 0.00 N ATOM 1796 CA VAL B 53 2.319 -8.032 -6.418 1.00 0.00 C ATOM 1797 C VAL B 53 2.663 -8.946 -5.244 1.00 0.00 C ATOM 1798 O VAL B 53 1.960 -8.979 -4.251 1.00 0.00 O ATOM 1799 CB VAL B 53 3.049 -6.693 -6.247 1.00 0.00 C ATOM 1800 CG1 VAL B 53 4.532 -6.939 -5.941 1.00 0.00 C ATOM 1801 CG2 VAL B 53 2.921 -5.875 -7.531 1.00 0.00 C ATOM 0 H VAL B 53 0.504 -7.156 -5.699 1.00 0.00 H new ATOM 0 HA VAL B 53 2.625 -8.499 -7.354 1.00 0.00 H new ATOM 0 HB VAL B 53 2.600 -6.145 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL B 53 5.042 -5.983 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.623 -7.517 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL B 53 4.986 -7.492 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL B 53 3.439 -4.924 -7.410 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.364 -6.427 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.868 -5.690 -7.741 1.00 0.00 H new ATOM 1811 N GLU B 54 3.744 -9.684 -5.351 1.00 0.00 N ATOM 1812 CA GLU B 54 4.152 -10.606 -4.240 1.00 0.00 C ATOM 1813 C GLU B 54 5.578 -10.270 -3.795 1.00 0.00 C ATOM 1814 O GLU B 54 6.470 -10.097 -4.602 1.00 0.00 O ATOM 1815 CB GLU B 54 4.084 -12.055 -4.737 1.00 0.00 C ATOM 1816 CG GLU B 54 5.096 -12.271 -5.866 1.00 0.00 C ATOM 1817 CD GLU B 54 4.899 -13.666 -6.458 1.00 0.00 C ATOM 1818 OE1 GLU B 54 4.129 -14.423 -5.894 1.00 0.00 O ATOM 1819 OE2 GLU B 54 5.530 -13.955 -7.462 1.00 0.00 O ATOM 0 H GLU B 54 4.363 -9.688 -6.162 1.00 0.00 H new ATOM 0 HA GLU B 54 3.478 -10.484 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU B 54 4.292 -12.740 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU B 54 3.078 -12.279 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.964 -11.513 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU B 54 6.112 -12.165 -5.485 1.00 0.00 H new ATOM 1826 N GLY B 55 5.794 -10.171 -2.511 1.00 0.00 N ATOM 1827 CA GLY B 55 7.159 -9.842 -2.003 1.00 0.00 C ATOM 1828 C GLY B 55 7.057 -9.329 -0.561 1.00 0.00 C ATOM 1829 O GLY B 55 5.995 -8.972 -0.094 1.00 0.00 O ATOM 0 H GLY B 55 5.084 -10.304 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.796 -10.726 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.623 -9.087 -2.637 1.00 0.00 H new ATOM 1833 N LEU B 56 8.152 -9.299 0.154 1.00 0.00 N ATOM 1834 CA LEU B 56 8.115 -8.819 1.572 1.00 0.00 C ATOM 1835 C LEU B 56 8.313 -7.295 1.607 1.00 0.00 C ATOM 1836 O LEU B 56 9.104 -6.743 0.870 1.00 0.00 O ATOM 1837 CB LEU B 56 9.231 -9.507 2.387 1.00 0.00 C ATOM 1838 CG LEU B 56 10.460 -9.793 1.487 1.00 0.00 C ATOM 1839 CD1 LEU B 56 11.736 -9.761 2.335 1.00 0.00 C ATOM 1840 CD2 LEU B 56 10.336 -11.180 0.838 1.00 0.00 C ATOM 0 H LEU B 56 9.072 -9.586 -0.181 1.00 0.00 H new ATOM 0 HA LEU B 56 7.148 -9.067 2.009 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.524 -8.871 3.223 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.858 -10.439 2.811 1.00 0.00 H new ATOM 0 HG LEU B 56 10.505 -9.031 0.709 1.00 0.00 H new ATOM 0 HD11 LEU B 56 12.599 -9.962 1.701 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.844 -8.778 2.793 1.00 0.00 H new ATOM 0 HD13 LEU B 56 11.674 -10.520 3.115 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.206 -11.366 0.209 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.280 -11.942 1.616 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.433 -11.217 0.228 1.00 0.00 H new ATOM 1852 N ILE B 57 7.601 -6.618 2.469 1.00 0.00 N ATOM 1853 CA ILE B 57 7.744 -5.134 2.569 1.00 0.00 C ATOM 1854 C ILE B 57 8.922 -4.796 3.481 1.00 0.00 C ATOM 1855 O ILE B 57 8.999 -5.249 4.607 1.00 0.00 O ATOM 1856 CB ILE B 57 6.459 -4.545 3.157 1.00 0.00 C ATOM 1857 CG1 ILE B 57 5.274 -4.843 2.216 1.00 0.00 C ATOM 1858 CG2 ILE B 57 6.616 -3.032 3.375 1.00 0.00 C ATOM 1859 CD1 ILE B 57 5.522 -4.279 0.811 1.00 0.00 C ATOM 0 H ILE B 57 6.924 -7.030 3.111 1.00 0.00 H new ATOM 0 HA ILE B 57 7.922 -4.715 1.579 1.00 0.00 H new ATOM 0 HB ILE B 57 6.262 -5.007 4.125 1.00 0.00 H new ATOM 0 HG12 ILE B 57 5.117 -5.920 2.155 1.00 0.00 H new ATOM 0 HG13 ILE B 57 4.362 -4.411 2.628 1.00 0.00 H new ATOM 0 HG21 ILE B 57 5.695 -2.627 3.793 1.00 0.00 H new ATOM 0 HG22 ILE B 57 7.440 -2.847 4.065 1.00 0.00 H new ATOM 0 HG23 ILE B 57 6.825 -2.547 2.422 1.00 0.00 H new ATOM 0 HD11 ILE B 57 4.669 -4.506 0.172 1.00 0.00 H new ATOM 0 HD12 ILE B 57 5.654 -3.199 0.871 1.00 0.00 H new ATOM 0 HD13 ILE B 57 6.420 -4.731 0.391 1.00 0.00 H new ATOM 1871 N ASP B 58 9.838 -4.000 2.996 1.00 0.00 N ATOM 1872 CA ASP B 58 11.030 -3.607 3.809 1.00 0.00 C ATOM 1873 C ASP B 58 10.952 -2.109 4.103 1.00 0.00 C ATOM 1874 O ASP B 58 11.347 -1.654 5.158 1.00 0.00 O ATOM 1875 CB ASP B 58 12.300 -3.914 3.017 1.00 0.00 C ATOM 1876 CG ASP B 58 13.526 -3.786 3.924 1.00 0.00 C ATOM 1877 OD1 ASP B 58 13.413 -4.125 5.089 1.00 0.00 O ATOM 1878 OD2 ASP B 58 14.559 -3.359 3.434 1.00 0.00 O ATOM 0 H ASP B 58 9.812 -3.599 2.058 1.00 0.00 H new ATOM 0 HA ASP B 58 11.048 -4.163 4.746 1.00 0.00 H new ATOM 0 HB2 ASP B 58 12.246 -4.921 2.604 1.00 0.00 H new ATOM 0 HB3 ASP B 58 12.388 -3.228 2.174 1.00 0.00 H new ATOM 1883 N ALA B 59 10.439 -1.335 3.182 1.00 0.00 N ATOM 1884 CA ALA B 59 10.340 0.131 3.432 1.00 0.00 C ATOM 1885 C ALA B 59 9.453 0.793 2.372 1.00 0.00 C ATOM 1886 O ALA B 59 9.440 0.401 1.220 1.00 0.00 O ATOM 1887 CB ALA B 59 11.737 0.747 3.379 1.00 0.00 C ATOM 0 H ALA B 59 10.088 -1.651 2.278 1.00 0.00 H new ATOM 0 HA ALA B 59 9.898 0.294 4.415 1.00 0.00 H new ATOM 0 HB1 ALA B 59 11.669 1.819 3.561 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.366 0.288 4.142 1.00 0.00 H new ATOM 0 HB3 ALA B 59 12.174 0.573 2.396 1.00 0.00 H new ATOM 1893 N LEU B 60 8.729 1.811 2.766 1.00 0.00 N ATOM 1894 CA LEU B 60 7.839 2.554 1.816 1.00 0.00 C ATOM 1895 C LEU B 60 8.327 3.998 1.715 1.00 0.00 C ATOM 1896 O LEU B 60 8.638 4.627 2.709 1.00 0.00 O ATOM 1897 CB LEU B 60 6.386 2.541 2.343 1.00 0.00 C ATOM 1898 CG LEU B 60 5.607 1.337 1.780 1.00 0.00 C ATOM 1899 CD1 LEU B 60 5.331 1.529 0.274 1.00 0.00 C ATOM 1900 CD2 LEU B 60 6.407 0.045 2.004 1.00 0.00 C ATOM 0 H LEU B 60 8.716 2.166 3.722 1.00 0.00 H new ATOM 0 HA LEU B 60 7.868 2.078 0.836 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.390 2.499 3.432 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.885 3.467 2.062 1.00 0.00 H new ATOM 0 HG LEU B 60 4.653 1.264 2.303 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.780 0.669 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.741 2.433 0.125 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.277 1.620 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.850 -0.802 1.603 1.00 0.00 H new ATOM 0 HD22 LEU B 60 7.369 0.120 1.496 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.571 -0.101 3.072 1.00 0.00 H new ATOM 1912 N VAL B 61 8.387 4.527 0.520 1.00 0.00 N ATOM 1913 CA VAL B 61 8.845 5.940 0.334 1.00 0.00 C ATOM 1914 C VAL B 61 7.821 6.686 -0.525 1.00 0.00 C ATOM 1915 O VAL B 61 7.584 6.356 -1.670 1.00 0.00 O ATOM 1916 CB VAL B 61 10.215 5.930 -0.355 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.578 7.331 -0.858 1.00 0.00 C ATOM 1918 CG2 VAL B 61 11.268 5.461 0.647 1.00 0.00 C ATOM 0 H VAL B 61 8.137 4.040 -0.341 1.00 0.00 H new ATOM 0 HA VAL B 61 8.934 6.443 1.297 1.00 0.00 H new ATOM 0 HB VAL B 61 10.179 5.255 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.553 7.302 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL B 61 9.827 7.667 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.612 8.022 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL B 61 12.247 5.450 0.168 1.00 0.00 H new ATOM 0 HG22 VAL B 61 11.289 6.141 1.498 1.00 0.00 H new ATOM 0 HG23 VAL B 61 11.021 4.457 0.991 1.00 0.00 H new ATOM 1928 N TYR B 62 7.229 7.699 0.035 1.00 0.00 N ATOM 1929 CA TYR B 62 6.224 8.517 -0.699 1.00 0.00 C ATOM 1930 C TYR B 62 6.502 9.982 -0.338 1.00 0.00 C ATOM 1931 O TYR B 62 6.159 10.425 0.741 1.00 0.00 O ATOM 1932 CB TYR B 62 4.813 8.109 -0.239 1.00 0.00 C ATOM 1933 CG TYR B 62 3.770 9.005 -0.869 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.389 10.187 -0.226 1.00 0.00 C ATOM 1935 CD2 TYR B 62 3.180 8.650 -2.091 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.423 11.016 -0.801 1.00 0.00 C ATOM 1937 CE2 TYR B 62 2.211 9.483 -2.665 1.00 0.00 C ATOM 1938 CZ TYR B 62 1.832 10.665 -2.018 1.00 0.00 C ATOM 1939 OH TYR B 62 0.875 11.487 -2.580 1.00 0.00 O ATOM 0 H TYR B 62 7.402 8.003 0.993 1.00 0.00 H new ATOM 0 HA TYR B 62 6.288 8.369 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.621 7.071 -0.511 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.746 8.171 0.847 1.00 0.00 H new ATOM 0 HD1 TYR B 62 3.842 10.459 0.716 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.472 7.737 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR B 62 2.132 11.930 -0.304 1.00 0.00 H new ATOM 0 HE2 TYR B 62 1.756 9.213 -3.607 1.00 0.00 H new ATOM 0 HH TYR B 62 1.050 12.416 -2.323 1.00 0.00 H new ATOM 1949 N PRO B 63 7.159 10.731 -1.197 1.00 0.00 N ATOM 1950 CA PRO B 63 7.503 12.146 -0.890 1.00 0.00 C ATOM 1951 C PRO B 63 6.317 12.920 -0.305 1.00 0.00 C ATOM 1952 O PRO B 63 5.594 13.590 -1.015 1.00 0.00 O ATOM 1953 CB PRO B 63 7.909 12.719 -2.252 1.00 0.00 C ATOM 1954 CG PRO B 63 8.432 11.554 -3.026 1.00 0.00 C ATOM 1955 CD PRO B 63 7.642 10.333 -2.539 1.00 0.00 C ATOM 0 HA PRO B 63 8.286 12.222 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO B 63 7.058 13.177 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO B 63 8.669 13.493 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO B 63 8.296 11.705 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO B 63 9.500 11.421 -2.856 1.00 0.00 H new ATOM 0 HD2 PRO B 63 6.814 10.100 -3.208 1.00 0.00 H new ATOM 0 HD3 PRO B 63 8.271 9.444 -2.489 1.00 0.00 H new ATOM 1963 N LEU B 64 6.103 12.836 0.981 1.00 0.00 N ATOM 1964 CA LEU B 64 4.964 13.569 1.575 1.00 0.00 C ATOM 1965 C LEU B 64 5.309 15.068 1.627 1.00 0.00 C ATOM 1966 O LEU B 64 5.664 15.605 2.657 1.00 0.00 O ATOM 1967 CB LEU B 64 4.708 13.021 2.992 1.00 0.00 C ATOM 1968 CG LEU B 64 3.285 13.346 3.500 1.00 0.00 C ATOM 1969 CD1 LEU B 64 3.265 13.241 5.035 1.00 0.00 C ATOM 1970 CD2 LEU B 64 2.840 14.767 3.108 1.00 0.00 C ATOM 0 H LEU B 64 6.667 12.294 1.636 1.00 0.00 H new ATOM 0 HA LEU B 64 4.064 13.436 0.975 1.00 0.00 H new ATOM 0 HB2 LEU B 64 4.853 11.941 2.993 1.00 0.00 H new ATOM 0 HB3 LEU B 64 5.442 13.442 3.680 1.00 0.00 H new ATOM 0 HG LEU B 64 2.600 12.633 3.041 1.00 0.00 H new ATOM 0 HD11 LEU B 64 2.264 13.469 5.402 1.00 0.00 H new ATOM 0 HD12 LEU B 64 3.540 12.229 5.334 1.00 0.00 H new ATOM 0 HD13 LEU B 64 3.977 13.950 5.458 1.00 0.00 H new ATOM 0 HD21 LEU B 64 1.834 14.951 3.486 1.00 0.00 H new ATOM 0 HD22 LEU B 64 3.528 15.495 3.538 1.00 0.00 H new ATOM 0 HD23 LEU B 64 2.842 14.862 2.022 1.00 0.00 H new