USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 566 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 34 THR OG1 : rot 20:sc= -9.62! USER MOD Set 1.2: A 53 SER OG : rot -104:sc= -4.58! USER MOD Set 2.1: A 31 ASN : amide:sc= -2.87! C(o=-4.7!,f=-9.7!) USER MOD Set 2.2: A 48 ASN : amide:sc= -1.83! K(o=-4.7!,f=-1.5) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -5.11! K(o=-5.1!,f=-2.7) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0905 X(o=-0.091,f=-0.018) USER MOD Single : A 14 MET CE :methyl 151:sc= -5.12! (180deg=-10!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0995 USER MOD Single : A 17 HIS : no HD1:sc= -7.2! C(o=-7.2!,f=-5!) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= -0.37 (180deg=-1.71!) USER MOD Single : A 28 HIS : no HE2:sc= -20.7! C(o=-21!,f=-31!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 85:sc= -9.24! USER MOD Single : A 40 SER OG : rot -93:sc= 0.0278 USER MOD Single : A 43 THR OG1 : rot 9:sc= 0.519 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= -0.206 (180deg=-1.06) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -106:sc= -0.13 (180deg=-1.29) USER MOD Single : A 61 MET CE :methyl -144:sc= -15.4! (180deg=-18.9!) USER MOD Single : A 66 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.958 8.215 4.447 1.00 0.00 N ATOM 2 CA PRO A 1 -2.782 7.214 3.348 1.00 0.00 C ATOM 3 C PRO A 1 -3.277 5.842 3.814 1.00 0.00 C ATOM 4 O PRO A 1 -4.056 5.194 3.145 1.00 0.00 O ATOM 5 CB PRO A 1 -1.294 7.138 3.007 1.00 0.00 C ATOM 6 CG PRO A 1 -0.566 8.098 3.938 1.00 0.00 C ATOM 7 CD PRO A 1 -1.622 8.776 4.809 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.388 7.774 5.260 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.585 8.962 4.147 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.355 7.512 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.922 6.122 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.124 7.410 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 1 0.155 7.562 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.007 8.838 3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.411 8.604 5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -1.608 9.855 4.653 1.00 0.00 H new ATOM 17 N ILE A 2 -2.833 5.399 4.958 1.00 0.00 N ATOM 18 CA ILE A 2 -3.279 4.071 5.472 1.00 0.00 C ATOM 19 C ILE A 2 -4.743 4.160 5.906 1.00 0.00 C ATOM 20 O ILE A 2 -5.595 3.450 5.404 1.00 0.00 O ATOM 21 CB ILE A 2 -2.415 3.673 6.671 1.00 0.00 C ATOM 22 CG1 ILE A 2 -0.957 4.058 6.403 1.00 0.00 C ATOM 23 CG2 ILE A 2 -2.509 2.163 6.894 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.555 3.604 4.997 1.00 0.00 C ATOM 0 H ILE A 2 -2.180 5.899 5.561 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.177 3.323 4.686 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.772 4.194 7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.832 5.137 6.497 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.306 3.596 7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.893 1.882 7.748 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.546 1.888 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.156 1.641 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.483 3.879 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.664 2.522 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.198 4.087 4.261 1.00 0.00 H new ATOM 36 N SER A 3 -5.042 5.027 6.833 1.00 0.00 N ATOM 37 CA SER A 3 -6.450 5.161 7.296 1.00 0.00 C ATOM 38 C SER A 3 -7.349 5.465 6.097 1.00 0.00 C ATOM 39 O SER A 3 -8.487 5.045 6.043 1.00 0.00 O ATOM 40 CB SER A 3 -6.546 6.294 8.315 1.00 0.00 C ATOM 41 OG SER A 3 -6.263 7.530 7.672 1.00 0.00 O ATOM 0 H SER A 3 -4.373 5.647 7.289 1.00 0.00 H new ATOM 0 HA SER A 3 -6.773 4.231 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.543 6.320 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.842 6.126 9.130 1.00 0.00 H new ATOM 0 HG SER A 3 -6.326 8.259 8.323 1.00 0.00 H new ATOM 47 N GLN A 4 -6.846 6.182 5.130 1.00 0.00 N ATOM 48 CA GLN A 4 -7.677 6.494 3.933 1.00 0.00 C ATOM 49 C GLN A 4 -8.001 5.187 3.212 1.00 0.00 C ATOM 50 O GLN A 4 -9.148 4.878 2.942 1.00 0.00 O ATOM 51 CB GLN A 4 -6.902 7.421 2.992 1.00 0.00 C ATOM 52 CG GLN A 4 -7.096 8.872 3.431 1.00 0.00 C ATOM 53 CD GLN A 4 -7.534 9.717 2.233 1.00 0.00 C ATOM 54 OE1 GLN A 4 -6.738 10.431 1.657 1.00 0.00 O ATOM 55 NE2 GLN A 4 -8.774 9.664 1.831 1.00 0.00 N ATOM 0 H GLN A 4 -5.900 6.564 5.116 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.598 6.991 4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.843 7.165 3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.250 7.290 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.845 8.926 4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.167 9.264 3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.442 9.064 2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.076 10.222 1.032 1.00 0.00 H new ATOM 64 N VAL A 5 -7.001 4.403 2.916 1.00 0.00 N ATOM 65 CA VAL A 5 -7.266 3.110 2.236 1.00 0.00 C ATOM 66 C VAL A 5 -8.258 2.334 3.081 1.00 0.00 C ATOM 67 O VAL A 5 -9.372 2.115 2.685 1.00 0.00 O ATOM 68 CB VAL A 5 -5.971 2.300 2.110 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.187 1.090 1.199 1.00 0.00 C ATOM 70 CG2 VAL A 5 -4.847 3.170 1.542 1.00 0.00 C ATOM 0 H VAL A 5 -6.020 4.602 3.115 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.662 3.291 1.237 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.688 1.956 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.259 0.524 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.965 0.453 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.491 1.430 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.935 2.578 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.133 3.536 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.671 4.017 2.206 1.00 0.00 H new ATOM 80 N HIS A 6 -7.865 1.932 4.254 1.00 0.00 N ATOM 81 CA HIS A 6 -8.794 1.181 5.132 1.00 0.00 C ATOM 82 C HIS A 6 -10.195 1.785 5.027 1.00 0.00 C ATOM 83 O HIS A 6 -11.189 1.087 5.025 1.00 0.00 O ATOM 84 CB HIS A 6 -8.298 1.295 6.568 1.00 0.00 C ATOM 85 CG HIS A 6 -7.036 0.493 6.723 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.045 -0.891 6.797 1.00 0.00 N ATOM 87 CD2 HIS A 6 -5.717 0.866 6.808 1.00 0.00 C ATOM 88 CE1 HIS A 6 -5.769 -1.298 6.920 1.00 0.00 C ATOM 89 NE2 HIS A 6 -4.919 -0.267 6.933 1.00 0.00 N ATOM 0 H HIS A 6 -6.936 2.093 4.643 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.833 0.134 4.830 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.112 2.339 6.819 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.060 0.932 7.258 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.355 1.883 6.782 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.468 -2.332 6.999 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.903 -0.303 7.017 1.00 0.00 H new ATOM 97 N GLU A 7 -10.274 3.084 4.931 1.00 0.00 N ATOM 98 CA GLU A 7 -11.601 3.751 4.829 1.00 0.00 C ATOM 99 C GLU A 7 -12.343 3.277 3.578 1.00 0.00 C ATOM 100 O GLU A 7 -13.403 2.697 3.666 1.00 0.00 O ATOM 101 CB GLU A 7 -11.403 5.267 4.760 1.00 0.00 C ATOM 102 CG GLU A 7 -11.740 5.887 6.116 1.00 0.00 C ATOM 103 CD GLU A 7 -13.025 6.709 5.999 1.00 0.00 C ATOM 104 OE1 GLU A 7 -13.184 7.384 4.995 1.00 0.00 O ATOM 105 OE2 GLU A 7 -13.828 6.651 6.916 1.00 0.00 O ATOM 0 H GLU A 7 -9.472 3.714 4.919 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.193 3.494 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.373 5.498 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.040 5.693 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.864 5.104 6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.920 6.522 6.451 1.00 0.00 H new ATOM 112 N ILE A 8 -11.809 3.533 2.413 1.00 0.00 N ATOM 113 CA ILE A 8 -12.510 3.108 1.163 1.00 0.00 C ATOM 114 C ILE A 8 -12.489 1.584 1.019 1.00 0.00 C ATOM 115 O ILE A 8 -13.500 0.963 0.766 1.00 0.00 O ATOM 116 CB ILE A 8 -11.807 3.731 -0.044 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.312 3.402 -0.005 1.00 0.00 C ATOM 118 CG2 ILE A 8 -11.993 5.248 -0.018 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.027 2.137 -0.826 1.00 0.00 C ATOM 0 H ILE A 8 -10.922 4.016 2.272 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.546 3.442 1.215 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.241 3.324 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.737 4.239 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.991 3.255 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.492 5.691 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.056 5.485 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.564 5.652 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.961 1.913 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.588 1.300 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.330 2.299 -1.861 1.00 0.00 H new ATOM 131 N GLY A 9 -11.344 0.984 1.152 1.00 0.00 N ATOM 132 CA GLY A 9 -11.238 -0.485 0.999 1.00 0.00 C ATOM 133 C GLY A 9 -12.339 -1.165 1.812 1.00 0.00 C ATOM 134 O GLY A 9 -13.078 -1.983 1.308 1.00 0.00 O ATOM 0 H GLY A 9 -10.466 1.458 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.326 -0.759 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.259 -0.826 1.336 1.00 0.00 H new ATOM 138 N ILE A 10 -12.458 -0.840 3.069 1.00 0.00 N ATOM 139 CA ILE A 10 -13.519 -1.488 3.891 1.00 0.00 C ATOM 140 C ILE A 10 -14.900 -1.004 3.425 1.00 0.00 C ATOM 141 O ILE A 10 -15.822 -1.780 3.272 1.00 0.00 O ATOM 142 CB ILE A 10 -13.286 -1.148 5.375 1.00 0.00 C ATOM 143 CG1 ILE A 10 -12.718 -2.382 6.062 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.594 -0.745 6.072 1.00 0.00 C ATOM 145 CD1 ILE A 10 -13.692 -3.544 5.868 1.00 0.00 C ATOM 0 H ILE A 10 -11.874 -0.162 3.559 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.479 -2.571 3.770 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.597 -0.306 5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.743 -2.632 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.568 -2.188 7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.392 -0.512 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.014 0.132 5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.306 -1.569 6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.297 -4.435 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.656 -3.288 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.818 -3.739 4.803 1.00 0.00 H new ATOM 157 N LYS A 11 -15.050 0.272 3.219 1.00 0.00 N ATOM 158 CA LYS A 11 -16.370 0.810 2.785 1.00 0.00 C ATOM 159 C LYS A 11 -16.728 0.266 1.401 1.00 0.00 C ATOM 160 O LYS A 11 -17.836 0.429 0.929 1.00 0.00 O ATOM 161 CB LYS A 11 -16.295 2.335 2.721 1.00 0.00 C ATOM 162 CG LYS A 11 -17.057 2.939 3.903 1.00 0.00 C ATOM 163 CD LYS A 11 -18.469 3.326 3.457 1.00 0.00 C ATOM 164 CE LYS A 11 -18.745 4.783 3.833 1.00 0.00 C ATOM 165 NZ LYS A 11 -20.215 5.025 3.830 1.00 0.00 N ATOM 0 H LYS A 11 -14.314 0.969 3.332 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.134 0.503 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.254 2.659 2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.720 2.691 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.107 2.221 4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.530 3.816 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.570 3.192 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.202 2.673 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.332 5.001 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.254 5.452 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.404 6.015 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.596 4.833 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.672 4.396 4.521 1.00 0.00 H new ATOM 179 N ARG A 12 -15.802 -0.371 0.744 1.00 0.00 N ATOM 180 CA ARG A 12 -16.097 -0.913 -0.613 1.00 0.00 C ATOM 181 C ARG A 12 -15.774 -2.406 -0.651 1.00 0.00 C ATOM 182 O ARG A 12 -15.765 -3.020 -1.700 1.00 0.00 O ATOM 183 CB ARG A 12 -15.250 -0.178 -1.653 1.00 0.00 C ATOM 184 CG ARG A 12 -16.112 0.866 -2.365 1.00 0.00 C ATOM 185 CD ARG A 12 -17.203 0.158 -3.172 1.00 0.00 C ATOM 186 NE ARG A 12 -16.693 -0.170 -4.535 1.00 0.00 N ATOM 187 CZ ARG A 12 -15.920 0.671 -5.169 1.00 0.00 C ATOM 188 NH1 ARG A 12 -16.447 1.599 -5.920 1.00 0.00 N ATOM 189 NH2 ARG A 12 -14.623 0.584 -5.053 1.00 0.00 N ATOM 0 H ARG A 12 -14.856 -0.540 1.085 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.153 -0.767 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.400 0.304 -1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.846 -0.887 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.562 1.540 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.494 1.476 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -17.512 -0.754 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -18.084 0.796 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.949 -1.055 -4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.461 1.667 -6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.845 2.257 -6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.211 -0.142 -4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.021 1.242 -5.549 1.00 0.00 H new ATOM 203 N ASN A 13 -15.510 -2.992 0.484 1.00 0.00 N ATOM 204 CA ASN A 13 -15.191 -4.447 0.525 1.00 0.00 C ATOM 205 C ASN A 13 -13.733 -4.679 0.118 1.00 0.00 C ATOM 206 O ASN A 13 -13.206 -5.762 0.281 1.00 0.00 O ATOM 207 CB ASN A 13 -16.116 -5.204 -0.431 1.00 0.00 C ATOM 208 CG ASN A 13 -16.657 -6.457 0.260 1.00 0.00 C ATOM 209 OD1 ASN A 13 -16.485 -7.556 -0.228 1.00 0.00 O ATOM 210 ND2 ASN A 13 -17.309 -6.339 1.385 1.00 0.00 N ATOM 0 H ASN A 13 -15.501 -2.523 1.390 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.339 -4.813 1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.941 -4.562 -0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.573 -5.481 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.673 -7.169 1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.454 -5.417 1.796 1.00 0.00 H new ATOM 217 N MET A 14 -13.068 -3.683 -0.409 1.00 0.00 N ATOM 218 CA MET A 14 -11.652 -3.884 -0.811 1.00 0.00 C ATOM 219 C MET A 14 -10.767 -3.921 0.434 1.00 0.00 C ATOM 220 O MET A 14 -10.352 -2.900 0.943 1.00 0.00 O ATOM 221 CB MET A 14 -11.218 -2.741 -1.723 1.00 0.00 C ATOM 222 CG MET A 14 -11.501 -3.120 -3.176 1.00 0.00 C ATOM 223 SD MET A 14 -12.350 -1.752 -4.000 1.00 0.00 S ATOM 224 CE MET A 14 -11.377 -0.416 -3.266 1.00 0.00 C ATOM 0 H MET A 14 -13.443 -2.749 -0.575 1.00 0.00 H new ATOM 0 HA MET A 14 -11.554 -4.829 -1.346 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.754 -1.828 -1.462 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.156 -2.536 -1.589 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.568 -3.347 -3.692 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.115 -4.020 -3.216 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.342 0.429 -3.954 1.00 0.00 H new ATOM 0 HE2 MET A 14 -11.838 -0.103 -2.329 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.364 -0.768 -3.072 1.00 0.00 H new ATOM 234 N THR A 15 -10.479 -5.093 0.930 1.00 0.00 N ATOM 235 CA THR A 15 -9.624 -5.196 2.142 1.00 0.00 C ATOM 236 C THR A 15 -8.395 -4.307 1.975 1.00 0.00 C ATOM 237 O THR A 15 -8.016 -3.956 0.877 1.00 0.00 O ATOM 238 CB THR A 15 -9.186 -6.652 2.353 1.00 0.00 C ATOM 239 OG1 THR A 15 -9.684 -7.456 1.293 1.00 0.00 O ATOM 240 CG2 THR A 15 -9.751 -7.150 3.683 1.00 0.00 C ATOM 0 H THR A 15 -10.800 -5.982 0.547 1.00 0.00 H new ATOM 0 HA THR A 15 -10.194 -4.868 3.012 1.00 0.00 H new ATOM 0 HB THR A 15 -8.098 -6.713 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.403 -8.385 1.427 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.446 -8.184 3.843 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.371 -6.530 4.495 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.839 -7.092 3.661 1.00 0.00 H new ATOM 248 N VAL A 16 -7.772 -3.943 3.057 1.00 0.00 N ATOM 249 CA VAL A 16 -6.560 -3.082 2.977 1.00 0.00 C ATOM 250 C VAL A 16 -5.485 -3.681 3.874 1.00 0.00 C ATOM 251 O VAL A 16 -5.452 -3.433 5.063 1.00 0.00 O ATOM 252 CB VAL A 16 -6.902 -1.672 3.464 1.00 0.00 C ATOM 253 CG1 VAL A 16 -5.612 -0.876 3.687 1.00 0.00 C ATOM 254 CG2 VAL A 16 -7.759 -0.968 2.413 1.00 0.00 C ATOM 0 H VAL A 16 -8.051 -4.206 4.002 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.205 -3.028 1.948 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.452 -1.736 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.859 0.127 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.999 -1.378 4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.059 -0.810 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.004 0.037 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.207 -0.906 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.678 -1.532 2.256 1.00 0.00 H new ATOM 264 N HIS A 17 -4.608 -4.479 3.331 1.00 0.00 N ATOM 265 CA HIS A 17 -3.553 -5.089 4.206 1.00 0.00 C ATOM 266 C HIS A 17 -2.175 -4.523 3.856 1.00 0.00 C ATOM 267 O HIS A 17 -1.513 -4.976 2.944 1.00 0.00 O ATOM 268 CB HIS A 17 -3.546 -6.612 4.047 1.00 0.00 C ATOM 269 CG HIS A 17 -4.795 -7.182 4.667 1.00 0.00 C ATOM 270 ND1 HIS A 17 -5.287 -6.727 5.880 1.00 0.00 N ATOM 271 CD2 HIS A 17 -5.666 -8.165 4.254 1.00 0.00 C ATOM 272 CE1 HIS A 17 -6.405 -7.425 6.152 1.00 0.00 C ATOM 273 NE2 HIS A 17 -6.680 -8.315 5.195 1.00 0.00 N ATOM 0 H HIS A 17 -4.570 -4.734 2.344 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.782 -4.842 5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.496 -6.879 2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.663 -7.035 4.525 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.576 -8.733 3.340 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.007 -7.283 7.037 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.465 -8.965 5.161 1.00 0.00 H new ATOM 281 N PHE A 18 -1.748 -3.529 4.587 1.00 0.00 N ATOM 282 CA PHE A 18 -0.421 -2.904 4.327 1.00 0.00 C ATOM 283 C PHE A 18 0.692 -3.705 5.009 1.00 0.00 C ATOM 284 O PHE A 18 0.715 -3.856 6.215 1.00 0.00 O ATOM 285 CB PHE A 18 -0.431 -1.482 4.886 1.00 0.00 C ATOM 286 CG PHE A 18 -1.178 -0.592 3.932 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.561 -0.179 2.751 1.00 0.00 C ATOM 288 CD2 PHE A 18 -2.487 -0.183 4.220 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.249 0.639 1.856 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.174 0.636 3.323 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.556 1.045 2.141 1.00 0.00 C ATOM 0 H PHE A 18 -2.269 -3.119 5.362 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.235 -2.891 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.905 -1.466 5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.589 -1.121 5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.449 -0.493 2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.964 -0.501 5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.772 0.959 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.183 0.953 3.543 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.088 1.676 1.445 1.00 0.00 H new ATOM 301 N LYS A 19 1.624 -4.206 4.244 1.00 0.00 N ATOM 302 CA LYS A 19 2.746 -4.982 4.832 1.00 0.00 C ATOM 303 C LYS A 19 3.977 -4.827 3.937 1.00 0.00 C ATOM 304 O LYS A 19 3.993 -5.285 2.813 1.00 0.00 O ATOM 305 CB LYS A 19 2.360 -6.459 4.915 1.00 0.00 C ATOM 306 CG LYS A 19 1.245 -6.636 5.948 1.00 0.00 C ATOM 307 CD LYS A 19 1.025 -8.126 6.209 1.00 0.00 C ATOM 308 CE LYS A 19 -0.457 -8.461 6.035 1.00 0.00 C ATOM 309 NZ LYS A 19 -1.281 -7.460 6.769 1.00 0.00 N ATOM 0 H LYS A 19 1.654 -4.108 3.229 1.00 0.00 H new ATOM 0 HA LYS A 19 2.966 -4.612 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.027 -6.815 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.227 -7.058 5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.510 -6.129 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.324 -6.179 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.626 -8.719 5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.351 -8.381 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.720 -8.459 4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.661 -9.463 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.163 -7.906 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.750 -7.109 7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.506 -6.665 6.137 1.00 0.00 H new ATOM 323 N VAL A 20 5.011 -4.191 4.417 1.00 0.00 N ATOM 324 CA VAL A 20 6.228 -4.021 3.575 1.00 0.00 C ATOM 325 C VAL A 20 7.016 -5.326 3.587 1.00 0.00 C ATOM 326 O VAL A 20 7.437 -5.805 4.622 1.00 0.00 O ATOM 327 CB VAL A 20 7.075 -2.875 4.126 1.00 0.00 C ATOM 328 CG1 VAL A 20 8.417 -2.823 3.394 1.00 0.00 C ATOM 329 CG2 VAL A 20 6.324 -1.555 3.914 1.00 0.00 C ATOM 0 H VAL A 20 5.065 -3.784 5.351 1.00 0.00 H new ATOM 0 HA VAL A 20 5.949 -3.779 2.549 1.00 0.00 H new ATOM 0 HB VAL A 20 7.256 -3.032 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.017 -2.004 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.947 -3.764 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.245 -2.664 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.920 -0.730 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.148 -1.404 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.369 -1.592 4.438 1.00 0.00 H new ATOM 339 N LEU A 21 7.188 -5.922 2.440 1.00 0.00 N ATOM 340 CA LEU A 21 7.910 -7.220 2.378 1.00 0.00 C ATOM 341 C LEU A 21 9.189 -7.095 1.551 1.00 0.00 C ATOM 342 O LEU A 21 9.988 -8.009 1.497 1.00 0.00 O ATOM 343 CB LEU A 21 6.999 -8.253 1.725 1.00 0.00 C ATOM 344 CG LEU A 21 6.211 -7.595 0.602 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.968 -8.607 -0.519 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.883 -7.134 1.177 1.00 0.00 C ATOM 0 H LEU A 21 6.859 -5.565 1.543 1.00 0.00 H new ATOM 0 HA LEU A 21 8.179 -7.522 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.591 -9.080 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.317 -8.672 2.465 1.00 0.00 H new ATOM 0 HG LEU A 21 6.762 -6.749 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.403 -8.132 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.925 -8.958 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.403 -9.453 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.294 -6.657 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.338 -7.993 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.063 -6.421 1.981 1.00 0.00 H new ATOM 358 N ARG A 22 9.391 -5.990 0.892 1.00 0.00 N ATOM 359 CA ARG A 22 10.625 -5.857 0.064 1.00 0.00 C ATOM 360 C ARG A 22 11.411 -4.609 0.469 1.00 0.00 C ATOM 361 O ARG A 22 10.878 -3.685 1.053 1.00 0.00 O ATOM 362 CB ARG A 22 10.239 -5.762 -1.413 1.00 0.00 C ATOM 363 CG ARG A 22 10.990 -6.836 -2.203 1.00 0.00 C ATOM 364 CD ARG A 22 10.651 -6.709 -3.690 1.00 0.00 C ATOM 365 NE ARG A 22 9.306 -7.301 -3.951 1.00 0.00 N ATOM 366 CZ ARG A 22 8.921 -8.366 -3.301 1.00 0.00 C ATOM 367 NH1 ARG A 22 9.756 -9.351 -3.108 1.00 0.00 N ATOM 368 NH2 ARG A 22 7.701 -8.446 -2.846 1.00 0.00 N ATOM 0 H ARG A 22 8.767 -5.183 0.888 1.00 0.00 H new ATOM 0 HA ARG A 22 11.253 -6.733 0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.163 -5.895 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.482 -4.773 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.064 -6.727 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.716 -7.827 -1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.661 -5.660 -3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.406 -7.218 -4.290 1.00 0.00 H new ATOM 0 HE ARG A 22 8.686 -6.873 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.709 -9.289 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.455 -10.183 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.049 -7.677 -2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.400 -9.278 -2.338 1.00 0.00 H new ATOM 382 N GLU A 23 12.679 -4.582 0.159 1.00 0.00 N ATOM 383 CA GLU A 23 13.517 -3.405 0.518 1.00 0.00 C ATOM 384 C GLU A 23 14.704 -3.318 -0.446 1.00 0.00 C ATOM 385 O GLU A 23 15.103 -4.300 -1.039 1.00 0.00 O ATOM 386 CB GLU A 23 14.043 -3.558 1.950 1.00 0.00 C ATOM 387 CG GLU A 23 13.060 -4.390 2.779 1.00 0.00 C ATOM 388 CD GLU A 23 13.710 -4.767 4.111 1.00 0.00 C ATOM 389 OE1 GLU A 23 13.571 -4.004 5.052 1.00 0.00 O ATOM 390 OE2 GLU A 23 14.335 -5.813 4.167 1.00 0.00 O ATOM 0 H GLU A 23 13.172 -5.329 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 23 12.914 -2.500 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.021 -4.039 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.176 -2.576 2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.146 -3.823 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.777 -5.290 2.232 1.00 0.00 H new ATOM 397 N GLU A 24 15.267 -2.153 -0.603 1.00 0.00 N ATOM 398 CA GLU A 24 16.430 -1.996 -1.523 1.00 0.00 C ATOM 399 C GLU A 24 17.575 -2.907 -1.064 1.00 0.00 C ATOM 400 O GLU A 24 17.349 -3.990 -0.567 1.00 0.00 O ATOM 401 CB GLU A 24 16.873 -0.529 -1.504 1.00 0.00 C ATOM 402 CG GLU A 24 17.006 -0.017 -2.942 1.00 0.00 C ATOM 403 CD GLU A 24 18.051 -0.846 -3.690 1.00 0.00 C ATOM 404 OE1 GLU A 24 17.875 -2.051 -3.772 1.00 0.00 O ATOM 405 OE2 GLU A 24 19.007 -0.262 -4.173 1.00 0.00 O ATOM 0 H GLU A 24 14.971 -1.298 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 24 16.150 -2.278 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.148 0.074 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.825 -0.432 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.044 -0.081 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.296 1.034 -2.939 1.00 0.00 H new ATOM 412 N GLY A 25 18.798 -2.483 -1.248 1.00 0.00 N ATOM 413 CA GLY A 25 19.972 -3.320 -0.839 1.00 0.00 C ATOM 414 C GLY A 25 19.870 -3.702 0.649 1.00 0.00 C ATOM 415 O GLY A 25 18.817 -4.072 1.124 1.00 0.00 O ATOM 0 H GLY A 25 19.039 -1.585 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.014 -4.222 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 25 20.897 -2.771 -1.017 1.00 0.00 H new ATOM 419 N PRO A 26 20.974 -3.604 1.348 1.00 0.00 N ATOM 420 CA PRO A 26 21.020 -3.940 2.781 1.00 0.00 C ATOM 421 C PRO A 26 19.839 -3.319 3.536 1.00 0.00 C ATOM 422 O PRO A 26 18.894 -3.998 3.887 1.00 0.00 O ATOM 423 CB PRO A 26 22.358 -3.368 3.267 1.00 0.00 C ATOM 424 CG PRO A 26 23.161 -2.935 2.012 1.00 0.00 C ATOM 425 CD PRO A 26 22.260 -3.152 0.784 1.00 0.00 C ATOM 0 HA PRO A 26 20.945 -5.013 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 26 22.194 -2.518 3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 26 22.910 -4.115 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 26 23.457 -1.889 2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 26 24.077 -3.520 1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 26 22.141 -2.233 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 26 22.681 -3.897 0.109 1.00 0.00 H new ATOM 433 N ALA A 27 19.883 -2.045 3.798 1.00 0.00 N ATOM 434 CA ALA A 27 18.759 -1.403 4.542 1.00 0.00 C ATOM 435 C ALA A 27 18.583 0.036 4.069 1.00 0.00 C ATOM 436 O ALA A 27 17.633 0.354 3.385 1.00 0.00 O ATOM 437 CB ALA A 27 19.077 -1.414 6.029 1.00 0.00 C ATOM 0 H ALA A 27 20.644 -1.420 3.532 1.00 0.00 H new ATOM 0 HA ALA A 27 17.837 -1.954 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 27 18.260 -0.947 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 27 19.200 -2.443 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 27 19.999 -0.860 6.208 1.00 0.00 H new ATOM 443 N HIS A 28 19.503 0.898 4.418 1.00 0.00 N ATOM 444 CA HIS A 28 19.423 2.327 3.972 1.00 0.00 C ATOM 445 C HIS A 28 17.968 2.809 3.986 1.00 0.00 C ATOM 446 O HIS A 28 17.106 2.213 4.602 1.00 0.00 O ATOM 447 CB HIS A 28 19.987 2.441 2.538 1.00 0.00 C ATOM 448 CG HIS A 28 20.118 1.064 1.942 1.00 0.00 C ATOM 449 ND1 HIS A 28 19.021 0.364 1.475 1.00 0.00 N ATOM 450 CD2 HIS A 28 21.184 0.208 1.826 1.00 0.00 C ATOM 451 CE1 HIS A 28 19.441 -0.861 1.125 1.00 0.00 C ATOM 452 NE2 HIS A 28 20.752 -1.008 1.314 1.00 0.00 N ATOM 0 H HIS A 28 20.313 0.674 4.997 1.00 0.00 H new ATOM 0 HA HIS A 28 20.005 2.947 4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.328 3.054 1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 28 20.958 2.936 2.555 1.00 0.00 H new ATOM 0 HD1 HIS A 28 18.066 0.715 1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 28 22.204 0.444 2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 28 18.795 -1.635 0.737 1.00 0.00 H new ATOM 460 N MET A 29 17.691 3.883 3.302 1.00 0.00 N ATOM 461 CA MET A 29 16.299 4.407 3.251 1.00 0.00 C ATOM 462 C MET A 29 15.907 4.573 1.783 1.00 0.00 C ATOM 463 O MET A 29 15.188 5.481 1.415 1.00 0.00 O ATOM 464 CB MET A 29 16.231 5.760 3.962 1.00 0.00 C ATOM 465 CG MET A 29 16.684 5.600 5.414 1.00 0.00 C ATOM 466 SD MET A 29 17.261 7.197 6.046 1.00 0.00 S ATOM 467 CE MET A 29 18.318 6.556 7.367 1.00 0.00 C ATOM 0 H MET A 29 18.374 4.424 2.772 1.00 0.00 H new ATOM 0 HA MET A 29 15.616 3.717 3.748 1.00 0.00 H new ATOM 0 HB2 MET A 29 16.866 6.483 3.450 1.00 0.00 H new ATOM 0 HB3 MET A 29 15.213 6.149 3.929 1.00 0.00 H new ATOM 0 HG2 MET A 29 15.860 5.231 6.025 1.00 0.00 H new ATOM 0 HG3 MET A 29 17.483 4.861 5.478 1.00 0.00 H new ATOM 0 HE1 MET A 29 18.783 7.387 7.897 1.00 0.00 H new ATOM 0 HE2 MET A 29 17.716 5.973 8.064 1.00 0.00 H new ATOM 0 HE3 MET A 29 19.093 5.921 6.937 1.00 0.00 H new ATOM 477 N LYS A 30 16.398 3.705 0.940 1.00 0.00 N ATOM 478 CA LYS A 30 16.090 3.797 -0.510 1.00 0.00 C ATOM 479 C LYS A 30 14.589 3.578 -0.752 1.00 0.00 C ATOM 480 O LYS A 30 13.771 4.401 -0.389 1.00 0.00 O ATOM 481 CB LYS A 30 16.911 2.741 -1.253 1.00 0.00 C ATOM 482 CG LYS A 30 18.393 3.122 -1.208 1.00 0.00 C ATOM 483 CD LYS A 30 19.218 2.078 -1.965 1.00 0.00 C ATOM 484 CE LYS A 30 20.661 2.101 -1.455 1.00 0.00 C ATOM 485 NZ LYS A 30 21.452 1.040 -2.143 1.00 0.00 N ATOM 0 H LYS A 30 17.006 2.929 1.201 1.00 0.00 H new ATOM 0 HA LYS A 30 16.349 4.789 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.762 1.762 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.575 2.665 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.539 4.107 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.731 3.186 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.787 1.087 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.196 2.287 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.107 3.078 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.679 1.941 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.432 1.057 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.031 0.110 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.446 1.212 -3.169 1.00 0.00 H new ATOM 499 N ASN A 31 14.210 2.489 -1.373 1.00 0.00 N ATOM 500 CA ASN A 31 12.763 2.260 -1.638 1.00 0.00 C ATOM 501 C ASN A 31 12.285 0.991 -0.933 1.00 0.00 C ATOM 502 O ASN A 31 13.063 0.223 -0.403 1.00 0.00 O ATOM 503 CB ASN A 31 12.541 2.106 -3.142 1.00 0.00 C ATOM 504 CG ASN A 31 13.147 3.305 -3.872 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.527 4.279 -3.254 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.253 3.276 -5.173 1.00 0.00 N ATOM 0 H ASN A 31 14.837 1.756 -1.704 1.00 0.00 H new ATOM 0 HA ASN A 31 12.199 3.113 -1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.999 1.182 -3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.475 2.036 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.655 4.071 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.934 2.458 -5.693 1.00 0.00 H new ATOM 513 N PHE A 32 11.001 0.771 -0.938 1.00 0.00 N ATOM 514 CA PHE A 32 10.434 -0.439 -0.291 1.00 0.00 C ATOM 515 C PHE A 32 9.147 -0.824 -1.020 1.00 0.00 C ATOM 516 O PHE A 32 8.290 0.011 -1.258 1.00 0.00 O ATOM 517 CB PHE A 32 10.101 -0.132 1.171 1.00 0.00 C ATOM 518 CG PHE A 32 11.368 -0.054 1.988 1.00 0.00 C ATOM 519 CD1 PHE A 32 12.199 1.069 1.890 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.703 -1.103 2.852 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.368 1.141 2.656 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.870 -1.030 3.619 1.00 0.00 C ATOM 523 CZ PHE A 32 13.704 0.093 3.521 1.00 0.00 C ATOM 0 H PHE A 32 10.313 1.388 -1.369 1.00 0.00 H new ATOM 0 HA PHE A 32 11.157 -1.254 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.558 0.811 1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.447 -0.906 1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.938 1.878 1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.061 -1.968 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.011 2.005 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 32 13.129 -1.838 4.287 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.606 0.149 4.113 1.00 0.00 H new ATOM 533 N ILE A 33 8.979 -2.075 -1.360 1.00 0.00 N ATOM 534 CA ILE A 33 7.726 -2.475 -2.045 1.00 0.00 C ATOM 535 C ILE A 33 6.726 -2.863 -0.970 1.00 0.00 C ATOM 536 O ILE A 33 6.766 -3.948 -0.423 1.00 0.00 O ATOM 537 CB ILE A 33 7.967 -3.660 -2.979 1.00 0.00 C ATOM 538 CG1 ILE A 33 8.842 -3.224 -4.161 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.625 -4.164 -3.510 1.00 0.00 C ATOM 540 CD1 ILE A 33 10.172 -2.666 -3.649 1.00 0.00 C ATOM 0 H ILE A 33 9.649 -2.825 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 33 7.353 -1.649 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 33 8.472 -4.453 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.024 -4.072 -4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.323 -2.467 -4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.792 -5.010 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.998 -4.478 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.126 -3.364 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.787 -2.359 -4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.983 -1.806 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.695 -3.435 -3.081 1.00 0.00 H new ATOM 552 N THR A 34 5.845 -1.972 -0.649 1.00 0.00 N ATOM 553 CA THR A 34 4.853 -2.259 0.409 1.00 0.00 C ATOM 554 C THR A 34 3.650 -2.956 -0.208 1.00 0.00 C ATOM 555 O THR A 34 2.968 -2.417 -1.058 1.00 0.00 O ATOM 556 CB THR A 34 4.419 -0.943 1.055 1.00 0.00 C ATOM 557 OG1 THR A 34 5.507 -0.389 1.785 1.00 0.00 O ATOM 558 CG2 THR A 34 3.243 -1.196 2.000 1.00 0.00 C ATOM 0 H THR A 34 5.768 -1.049 -1.077 1.00 0.00 H new ATOM 0 HA THR A 34 5.292 -2.907 1.168 1.00 0.00 H new ATOM 0 HB THR A 34 4.112 -0.244 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.348 -0.778 1.465 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.936 -0.256 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.408 -1.615 1.438 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.545 -1.897 2.778 1.00 0.00 H new ATOM 566 N ALA A 35 3.400 -4.163 0.211 1.00 0.00 N ATOM 567 CA ALA A 35 2.252 -4.923 -0.343 1.00 0.00 C ATOM 568 C ALA A 35 0.968 -4.483 0.351 1.00 0.00 C ATOM 569 O ALA A 35 0.802 -4.662 1.537 1.00 0.00 O ATOM 570 CB ALA A 35 2.487 -6.404 -0.100 1.00 0.00 C ATOM 0 H ALA A 35 3.945 -4.657 0.917 1.00 0.00 H new ATOM 0 HA ALA A 35 2.159 -4.735 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.651 -6.976 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.408 -6.712 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.571 -6.588 0.971 1.00 0.00 H new ATOM 576 N CYS A 36 0.048 -3.922 -0.375 1.00 0.00 N ATOM 577 CA CYS A 36 -1.221 -3.484 0.260 1.00 0.00 C ATOM 578 C CYS A 36 -2.349 -4.287 -0.375 1.00 0.00 C ATOM 579 O CYS A 36 -2.602 -4.186 -1.558 1.00 0.00 O ATOM 580 CB CYS A 36 -1.442 -1.972 0.055 1.00 0.00 C ATOM 581 SG CYS A 36 -0.164 -1.265 -1.025 1.00 0.00 S ATOM 0 H CYS A 36 0.119 -3.748 -1.378 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.189 -3.659 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.426 -1.801 -0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.428 -1.465 1.020 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.505 -1.433 -2.268 1.00 0.00 H new ATOM 587 N ILE A 37 -3.002 -5.123 0.384 1.00 0.00 N ATOM 588 CA ILE A 37 -4.073 -5.965 -0.212 1.00 0.00 C ATOM 589 C ILE A 37 -5.338 -5.152 -0.432 1.00 0.00 C ATOM 590 O ILE A 37 -5.801 -4.447 0.452 1.00 0.00 O ATOM 591 CB ILE A 37 -4.363 -7.177 0.703 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.658 -8.408 -0.158 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.570 -6.927 1.634 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.101 -8.357 -0.657 1.00 0.00 C ATOM 0 H ILE A 37 -2.841 -5.258 1.382 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.730 -6.328 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.480 -7.336 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.972 -8.444 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.496 -9.316 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.736 -7.805 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.368 -6.064 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.459 -6.735 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.306 -9.235 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.780 -8.342 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.248 -7.457 -1.254 1.00 0.00 H new ATOM 606 N VAL A 38 -5.890 -5.293 -1.614 1.00 0.00 N ATOM 607 CA VAL A 38 -7.149 -4.605 -2.001 1.00 0.00 C ATOM 608 C VAL A 38 -8.151 -5.685 -2.459 1.00 0.00 C ATOM 609 O VAL A 38 -7.805 -6.570 -3.225 1.00 0.00 O ATOM 610 CB VAL A 38 -6.845 -3.602 -3.139 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.676 -3.901 -4.397 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.160 -2.187 -2.653 1.00 0.00 C ATOM 0 H VAL A 38 -5.498 -5.881 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.575 -4.049 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.791 -3.694 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.434 -3.175 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.447 -4.905 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.737 -3.835 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.948 -1.473 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.213 -2.123 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.544 -1.955 -1.785 1.00 0.00 H new ATOM 622 N GLY A 39 -9.372 -5.604 -1.981 1.00 0.00 N ATOM 623 CA GLY A 39 -10.447 -6.599 -2.334 1.00 0.00 C ATOM 624 C GLY A 39 -10.027 -7.553 -3.460 1.00 0.00 C ATOM 625 O GLY A 39 -9.600 -8.663 -3.220 1.00 0.00 O ATOM 0 H GLY A 39 -9.679 -4.870 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.703 -7.180 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.347 -6.063 -2.635 1.00 0.00 H new ATOM 629 N SER A 40 -10.184 -7.129 -4.684 1.00 0.00 N ATOM 630 CA SER A 40 -9.838 -7.997 -5.852 1.00 0.00 C ATOM 631 C SER A 40 -8.616 -8.880 -5.563 1.00 0.00 C ATOM 632 O SER A 40 -8.693 -10.091 -5.627 1.00 0.00 O ATOM 633 CB SER A 40 -9.542 -7.110 -7.062 1.00 0.00 C ATOM 634 OG SER A 40 -9.247 -5.793 -6.618 1.00 0.00 O ATOM 0 H SER A 40 -10.542 -6.206 -4.930 1.00 0.00 H new ATOM 0 HA SER A 40 -10.686 -8.652 -6.051 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.701 -7.513 -7.626 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.399 -7.096 -7.735 1.00 0.00 H new ATOM 0 HG SER A 40 -10.066 -5.256 -6.621 1.00 0.00 H new ATOM 640 N ILE A 41 -7.486 -8.295 -5.269 1.00 0.00 N ATOM 641 CA ILE A 41 -6.263 -9.113 -5.006 1.00 0.00 C ATOM 642 C ILE A 41 -5.257 -8.248 -4.254 1.00 0.00 C ATOM 643 O ILE A 41 -5.620 -7.260 -3.662 1.00 0.00 O ATOM 644 CB ILE A 41 -5.630 -9.574 -6.328 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.355 -8.958 -7.533 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.700 -11.099 -6.424 1.00 0.00 C ATOM 647 CD1 ILE A 41 -6.151 -7.442 -7.533 1.00 0.00 C ATOM 0 H ILE A 41 -7.355 -7.286 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.536 -9.991 -4.420 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.591 -9.244 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.972 -9.387 -8.459 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.419 -9.192 -7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.251 -11.426 -7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.158 -11.541 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.742 -11.418 -6.390 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.666 -7.006 -8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.555 -7.020 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.086 -7.218 -7.598 1.00 0.00 H new ATOM 659 N VAL A 42 -3.993 -8.588 -4.277 1.00 0.00 N ATOM 660 CA VAL A 42 -3.003 -7.739 -3.555 1.00 0.00 C ATOM 661 C VAL A 42 -2.508 -6.641 -4.484 1.00 0.00 C ATOM 662 O VAL A 42 -2.573 -6.746 -5.692 1.00 0.00 O ATOM 663 CB VAL A 42 -1.788 -8.548 -3.092 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.482 -8.213 -1.633 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.063 -10.049 -3.231 1.00 0.00 C ATOM 0 H VAL A 42 -3.610 -9.403 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.505 -7.324 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.931 -8.291 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.617 -8.788 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.267 -7.148 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.343 -8.463 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.190 -10.611 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.924 -10.319 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.271 -10.286 -4.275 1.00 0.00 H new ATOM 675 N THR A 43 -2.009 -5.590 -3.915 1.00 0.00 N ATOM 676 CA THR A 43 -1.492 -4.465 -4.733 1.00 0.00 C ATOM 677 C THR A 43 -0.379 -3.772 -3.944 1.00 0.00 C ATOM 678 O THR A 43 -0.629 -2.925 -3.117 1.00 0.00 O ATOM 679 CB THR A 43 -2.643 -3.492 -5.017 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.498 -4.053 -6.003 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.101 -2.153 -5.521 1.00 0.00 C ATOM 0 H THR A 43 -1.935 -5.458 -2.906 1.00 0.00 H new ATOM 0 HA THR A 43 -1.092 -4.820 -5.683 1.00 0.00 H new ATOM 0 HB THR A 43 -3.197 -3.322 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.241 -4.984 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.932 -1.475 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.448 -1.717 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.537 -2.312 -6.440 1.00 0.00 H new ATOM 689 N GLU A 44 0.849 -4.147 -4.166 1.00 0.00 N ATOM 690 CA GLU A 44 1.958 -3.508 -3.401 1.00 0.00 C ATOM 691 C GLU A 44 2.298 -2.151 -4.002 1.00 0.00 C ATOM 692 O GLU A 44 1.593 -1.638 -4.846 1.00 0.00 O ATOM 693 CB GLU A 44 3.204 -4.402 -3.420 1.00 0.00 C ATOM 694 CG GLU A 44 3.968 -4.231 -4.741 1.00 0.00 C ATOM 695 CD GLU A 44 2.984 -4.220 -5.913 1.00 0.00 C ATOM 696 OE1 GLU A 44 2.560 -5.291 -6.316 1.00 0.00 O ATOM 697 OE2 GLU A 44 2.670 -3.141 -6.389 1.00 0.00 O ATOM 0 H GLU A 44 1.133 -4.861 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 44 1.631 -3.373 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.853 -4.149 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.913 -5.445 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.538 -3.302 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.685 -5.043 -4.864 1.00 0.00 H new ATOM 704 N GLY A 45 3.379 -1.568 -3.567 1.00 0.00 N ATOM 705 CA GLY A 45 3.768 -0.233 -4.114 1.00 0.00 C ATOM 706 C GLY A 45 5.167 0.134 -3.629 1.00 0.00 C ATOM 707 O GLY A 45 5.413 0.252 -2.451 1.00 0.00 O ATOM 0 H GLY A 45 4.008 -1.952 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.745 -0.255 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.052 0.524 -3.795 1.00 0.00 H new ATOM 711 N GLU A 46 6.089 0.310 -4.530 1.00 0.00 N ATOM 712 CA GLU A 46 7.474 0.646 -4.117 1.00 0.00 C ATOM 713 C GLU A 46 7.577 2.122 -3.732 1.00 0.00 C ATOM 714 O GLU A 46 7.851 2.974 -4.555 1.00 0.00 O ATOM 715 CB GLU A 46 8.416 0.349 -5.278 1.00 0.00 C ATOM 716 CG GLU A 46 7.824 0.905 -6.575 1.00 0.00 C ATOM 717 CD GLU A 46 7.361 -0.250 -7.466 1.00 0.00 C ATOM 718 OE1 GLU A 46 7.059 -1.303 -6.929 1.00 0.00 O ATOM 719 OE2 GLU A 46 7.314 -0.061 -8.670 1.00 0.00 O ATOM 0 H GLU A 46 5.942 0.235 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 46 7.747 0.047 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.392 0.796 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.570 -0.726 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.985 1.563 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.568 1.505 -7.098 1.00 0.00 H new ATOM 726 N GLY A 47 7.374 2.426 -2.478 1.00 0.00 N ATOM 727 CA GLY A 47 7.474 3.844 -2.025 1.00 0.00 C ATOM 728 C GLY A 47 8.947 4.193 -1.784 1.00 0.00 C ATOM 729 O GLY A 47 9.759 3.333 -1.523 1.00 0.00 O ATOM 0 H GLY A 47 7.143 1.753 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.048 4.509 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.899 3.987 -1.110 1.00 0.00 H new ATOM 733 N ASN A 48 9.303 5.446 -1.874 1.00 0.00 N ATOM 734 CA ASN A 48 10.729 5.829 -1.653 1.00 0.00 C ATOM 735 C ASN A 48 10.940 6.229 -0.191 1.00 0.00 C ATOM 736 O ASN A 48 10.612 7.325 0.217 1.00 0.00 O ATOM 737 CB ASN A 48 11.087 7.007 -2.559 1.00 0.00 C ATOM 738 CG ASN A 48 12.562 7.366 -2.368 1.00 0.00 C ATOM 739 OD1 ASN A 48 13.431 6.543 -2.575 1.00 0.00 O ATOM 740 ND2 ASN A 48 12.885 8.570 -1.982 1.00 0.00 N ATOM 0 H ASN A 48 8.672 6.218 -2.090 1.00 0.00 H new ATOM 0 HA ASN A 48 11.369 4.978 -1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.896 6.750 -3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.459 7.866 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.866 8.819 -1.855 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.157 9.262 -1.808 1.00 0.00 H new ATOM 747 N GLY A 49 11.500 5.352 0.599 1.00 0.00 N ATOM 748 CA GLY A 49 11.741 5.687 2.031 1.00 0.00 C ATOM 749 C GLY A 49 11.377 4.491 2.913 1.00 0.00 C ATOM 750 O GLY A 49 10.799 3.522 2.460 1.00 0.00 O ATOM 0 H GLY A 49 11.800 4.420 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.787 5.955 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.146 6.555 2.316 1.00 0.00 H new ATOM 754 N LYS A 50 11.715 4.554 4.172 1.00 0.00 N ATOM 755 CA LYS A 50 11.398 3.426 5.094 1.00 0.00 C ATOM 756 C LYS A 50 9.945 3.538 5.562 1.00 0.00 C ATOM 757 O LYS A 50 9.179 2.600 5.471 1.00 0.00 O ATOM 758 CB LYS A 50 12.328 3.493 6.308 1.00 0.00 C ATOM 759 CG LYS A 50 12.562 2.084 6.858 1.00 0.00 C ATOM 760 CD LYS A 50 12.867 2.166 8.356 1.00 0.00 C ATOM 761 CE LYS A 50 13.908 1.107 8.726 1.00 0.00 C ATOM 762 NZ LYS A 50 14.076 1.072 10.206 1.00 0.00 N ATOM 0 H LYS A 50 12.199 5.341 4.604 1.00 0.00 H new ATOM 0 HA LYS A 50 11.538 2.479 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.278 3.946 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.890 4.127 7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.681 1.465 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.391 1.610 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.238 3.159 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.955 2.011 8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.593 0.129 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.860 1.334 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.783 0.353 10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.395 2.003 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.167 0.836 10.653 1.00 0.00 H new ATOM 776 N LYS A 51 9.562 4.679 6.069 1.00 0.00 N ATOM 777 CA LYS A 51 8.162 4.847 6.550 1.00 0.00 C ATOM 778 C LYS A 51 7.243 5.156 5.365 1.00 0.00 C ATOM 779 O LYS A 51 6.111 4.717 5.317 1.00 0.00 O ATOM 780 CB LYS A 51 8.103 6.002 7.553 1.00 0.00 C ATOM 781 CG LYS A 51 9.173 5.799 8.627 1.00 0.00 C ATOM 782 CD LYS A 51 8.510 5.755 10.006 1.00 0.00 C ATOM 783 CE LYS A 51 8.126 7.173 10.435 1.00 0.00 C ATOM 784 NZ LYS A 51 6.675 7.394 10.178 1.00 0.00 N ATOM 0 H LYS A 51 10.158 5.501 6.170 1.00 0.00 H new ATOM 0 HA LYS A 51 7.834 3.926 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.262 6.951 7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.116 6.049 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.717 4.872 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.901 6.609 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.624 5.121 9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.191 5.315 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.345 7.316 11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.719 7.904 9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.306 8.096 10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.544 7.742 9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.161 6.498 10.297 1.00 0.00 H new ATOM 798 N VAL A 52 7.716 5.910 4.412 1.00 0.00 N ATOM 799 CA VAL A 52 6.862 6.245 3.239 1.00 0.00 C ATOM 800 C VAL A 52 6.282 4.957 2.647 1.00 0.00 C ATOM 801 O VAL A 52 5.153 4.925 2.206 1.00 0.00 O ATOM 802 CB VAL A 52 7.706 7.000 2.192 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.204 6.055 1.085 1.00 0.00 C ATOM 804 CG2 VAL A 52 6.854 8.105 1.563 1.00 0.00 C ATOM 0 H VAL A 52 8.655 6.308 4.395 1.00 0.00 H new ATOM 0 HA VAL A 52 6.036 6.886 3.548 1.00 0.00 H new ATOM 0 HB VAL A 52 8.575 7.425 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.795 6.619 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.820 5.271 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.350 5.604 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.445 8.643 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.982 7.662 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.527 8.798 2.338 1.00 0.00 H new ATOM 814 N SER A 53 7.059 3.907 2.629 1.00 0.00 N ATOM 815 CA SER A 53 6.583 2.608 2.059 1.00 0.00 C ATOM 816 C SER A 53 5.085 2.427 2.313 1.00 0.00 C ATOM 817 O SER A 53 4.323 2.139 1.411 1.00 0.00 O ATOM 818 CB SER A 53 7.350 1.460 2.715 1.00 0.00 C ATOM 819 OG SER A 53 6.719 1.115 3.941 1.00 0.00 O ATOM 0 H SER A 53 8.014 3.892 2.988 1.00 0.00 H new ATOM 0 HA SER A 53 6.758 2.609 0.983 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.375 0.597 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.384 1.754 2.895 1.00 0.00 H new ATOM 0 HG SER A 53 7.248 1.461 4.690 1.00 0.00 H new ATOM 825 N LYS A 54 4.659 2.597 3.530 1.00 0.00 N ATOM 826 CA LYS A 54 3.210 2.439 3.841 1.00 0.00 C ATOM 827 C LYS A 54 2.409 3.487 3.067 1.00 0.00 C ATOM 828 O LYS A 54 1.440 3.177 2.401 1.00 0.00 O ATOM 829 CB LYS A 54 2.983 2.629 5.342 1.00 0.00 C ATOM 830 CG LYS A 54 2.473 1.320 5.951 1.00 0.00 C ATOM 831 CD LYS A 54 2.891 1.244 7.421 1.00 0.00 C ATOM 832 CE LYS A 54 3.199 -0.209 7.789 1.00 0.00 C ATOM 833 NZ LYS A 54 4.091 -0.242 8.983 1.00 0.00 N ATOM 0 H LYS A 54 5.250 2.839 4.325 1.00 0.00 H new ATOM 0 HA LYS A 54 2.883 1.441 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.912 2.930 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.261 3.428 5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.388 1.266 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.878 0.469 5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.768 1.868 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.095 1.631 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.274 -0.746 7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.678 -0.714 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.300 -1.230 9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.978 0.256 8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.618 0.225 9.783 1.00 0.00 H new ATOM 847 N LYS A 55 2.807 4.727 3.146 1.00 0.00 N ATOM 848 CA LYS A 55 2.069 5.792 2.411 1.00 0.00 C ATOM 849 C LYS A 55 2.045 5.447 0.922 1.00 0.00 C ATOM 850 O LYS A 55 1.014 5.125 0.367 1.00 0.00 O ATOM 851 CB LYS A 55 2.773 7.137 2.607 1.00 0.00 C ATOM 852 CG LYS A 55 2.945 7.422 4.101 1.00 0.00 C ATOM 853 CD LYS A 55 3.882 8.616 4.288 1.00 0.00 C ATOM 854 CE LYS A 55 3.280 9.846 3.605 1.00 0.00 C ATOM 855 NZ LYS A 55 4.098 11.048 3.935 1.00 0.00 N ATOM 0 H LYS A 55 3.610 5.048 3.687 1.00 0.00 H new ATOM 0 HA LYS A 55 1.050 5.859 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.746 7.123 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.192 7.933 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.977 7.631 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.351 6.545 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.031 8.812 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.861 8.394 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.251 9.698 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.251 9.991 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.689 11.884 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.104 11.192 4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.072 10.908 3.599 1.00 0.00 H new ATOM 869 N ARG A 56 3.179 5.514 0.276 1.00 0.00 N ATOM 870 CA ARG A 56 3.245 5.192 -1.177 1.00 0.00 C ATOM 871 C ARG A 56 2.341 3.997 -1.490 1.00 0.00 C ATOM 872 O ARG A 56 1.408 4.106 -2.254 1.00 0.00 O ATOM 873 CB ARG A 56 4.688 4.851 -1.551 1.00 0.00 C ATOM 874 CG ARG A 56 5.316 6.031 -2.295 1.00 0.00 C ATOM 875 CD ARG A 56 5.143 5.839 -3.802 1.00 0.00 C ATOM 876 NE ARG A 56 6.034 6.785 -4.534 1.00 0.00 N ATOM 877 CZ ARG A 56 6.233 7.990 -4.072 1.00 0.00 C ATOM 878 NH1 ARG A 56 5.219 8.719 -3.694 1.00 0.00 N ATOM 879 NH2 ARG A 56 7.446 8.462 -3.985 1.00 0.00 N ATOM 0 H ARG A 56 4.069 5.780 0.698 1.00 0.00 H new ATOM 0 HA ARG A 56 2.907 6.054 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.264 4.626 -0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.711 3.959 -2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.847 6.963 -1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.375 6.108 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.382 4.812 -4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.104 6.011 -4.084 1.00 0.00 H new ATOM 0 HE ARG A 56 6.489 6.490 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.271 8.348 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.374 9.660 -3.333 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.238 7.890 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.602 9.403 -3.624 1.00 0.00 H new ATOM 893 N ALA A 57 2.614 2.856 -0.914 1.00 0.00 N ATOM 894 CA ALA A 57 1.769 1.661 -1.191 1.00 0.00 C ATOM 895 C ALA A 57 0.288 2.070 -1.181 1.00 0.00 C ATOM 896 O ALA A 57 -0.449 1.801 -2.109 1.00 0.00 O ATOM 897 CB ALA A 57 2.004 0.586 -0.116 1.00 0.00 C ATOM 0 H ALA A 57 3.385 2.701 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 57 2.036 1.256 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.381 -0.283 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.053 0.290 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.744 0.988 0.863 1.00 0.00 H new ATOM 903 N ALA A 58 -0.153 2.704 -0.123 1.00 0.00 N ATOM 904 CA ALA A 58 -1.588 3.114 -0.030 1.00 0.00 C ATOM 905 C ALA A 58 -1.996 3.953 -1.242 1.00 0.00 C ATOM 906 O ALA A 58 -2.965 3.644 -1.909 1.00 0.00 O ATOM 907 CB ALA A 58 -1.816 3.918 1.252 1.00 0.00 C ATOM 0 H ALA A 58 0.420 2.956 0.682 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.201 2.213 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.863 4.214 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.560 3.305 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.187 4.808 1.240 1.00 0.00 H new ATOM 913 N GLU A 59 -1.287 5.009 -1.547 1.00 0.00 N ATOM 914 CA GLU A 59 -1.686 5.817 -2.734 1.00 0.00 C ATOM 915 C GLU A 59 -1.879 4.855 -3.893 1.00 0.00 C ATOM 916 O GLU A 59 -2.831 4.934 -4.633 1.00 0.00 O ATOM 917 CB GLU A 59 -0.599 6.829 -3.100 1.00 0.00 C ATOM 918 CG GLU A 59 -0.820 8.124 -2.315 1.00 0.00 C ATOM 919 CD GLU A 59 -1.143 9.263 -3.284 1.00 0.00 C ATOM 920 OE1 GLU A 59 -1.942 9.044 -4.179 1.00 0.00 O ATOM 921 OE2 GLU A 59 -0.587 10.335 -3.112 1.00 0.00 O ATOM 0 H GLU A 59 -0.468 5.340 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.600 6.369 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.385 6.418 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.622 7.032 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.636 7.995 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.071 8.367 -1.736 1.00 0.00 H new ATOM 928 N LYS A 60 -0.982 3.929 -4.035 1.00 0.00 N ATOM 929 CA LYS A 60 -1.102 2.935 -5.124 1.00 0.00 C ATOM 930 C LYS A 60 -2.468 2.255 -5.017 1.00 0.00 C ATOM 931 O LYS A 60 -3.151 2.056 -5.997 1.00 0.00 O ATOM 932 CB LYS A 60 0.008 1.891 -4.968 1.00 0.00 C ATOM 933 CG LYS A 60 0.740 1.719 -6.300 1.00 0.00 C ATOM 934 CD LYS A 60 2.145 1.180 -6.040 1.00 0.00 C ATOM 935 CE LYS A 60 3.033 1.442 -7.257 1.00 0.00 C ATOM 936 NZ LYS A 60 4.366 1.927 -6.803 1.00 0.00 N ATOM 0 H LYS A 60 -0.163 3.818 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.009 3.421 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.709 2.203 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.416 0.939 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.189 1.034 -6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.796 2.674 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.571 1.658 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.102 0.111 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.146 0.529 -7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.567 2.182 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.446 2.947 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.470 1.753 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.114 1.420 -7.319 1.00 0.00 H new ATOM 950 N MET A 61 -2.860 1.897 -3.823 1.00 0.00 N ATOM 951 CA MET A 61 -4.176 1.217 -3.613 1.00 0.00 C ATOM 952 C MET A 61 -5.342 2.135 -3.980 1.00 0.00 C ATOM 953 O MET A 61 -6.086 1.888 -4.911 1.00 0.00 O ATOM 954 CB MET A 61 -4.321 0.853 -2.137 1.00 0.00 C ATOM 955 CG MET A 61 -3.066 0.133 -1.668 1.00 0.00 C ATOM 956 SD MET A 61 -2.749 -1.256 -2.775 1.00 0.00 S ATOM 957 CE MET A 61 -4.344 -2.068 -2.554 1.00 0.00 C ATOM 0 H MET A 61 -2.318 2.048 -2.972 1.00 0.00 H new ATOM 0 HA MET A 61 -4.200 0.332 -4.248 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.480 1.753 -1.543 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.194 0.217 -1.992 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.217 0.816 -1.666 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.193 -0.221 -0.645 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.207 -3.149 -2.573 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.773 -1.773 -1.596 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.017 -1.773 -3.359 1.00 0.00 H new ATOM 967 N LEU A 62 -5.537 3.172 -3.225 1.00 0.00 N ATOM 968 CA LEU A 62 -6.681 4.074 -3.506 1.00 0.00 C ATOM 969 C LEU A 62 -6.653 4.465 -4.978 1.00 0.00 C ATOM 970 O LEU A 62 -7.587 4.222 -5.704 1.00 0.00 O ATOM 971 CB LEU A 62 -6.592 5.298 -2.598 1.00 0.00 C ATOM 972 CG LEU A 62 -6.575 4.886 -1.103 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.515 5.806 -0.330 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.044 3.429 -0.864 1.00 0.00 C ATOM 0 H LEU A 62 -4.957 3.435 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.627 3.571 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.690 5.863 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.440 5.957 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.541 4.966 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.512 5.527 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.180 6.838 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.525 5.711 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.008 3.205 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.066 3.312 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.389 2.743 -1.401 1.00 0.00 H new ATOM 986 N VAL A 63 -5.581 5.039 -5.431 1.00 0.00 N ATOM 987 CA VAL A 63 -5.489 5.414 -6.869 1.00 0.00 C ATOM 988 C VAL A 63 -5.656 4.148 -7.729 1.00 0.00 C ATOM 989 O VAL A 63 -6.067 4.212 -8.871 1.00 0.00 O ATOM 990 CB VAL A 63 -4.117 6.063 -7.120 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.674 5.860 -8.567 1.00 0.00 C ATOM 992 CG2 VAL A 63 -4.205 7.561 -6.826 1.00 0.00 C ATOM 0 H VAL A 63 -4.761 5.267 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.273 6.123 -7.134 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.386 5.592 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.701 6.328 -8.719 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.600 4.793 -8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.404 6.314 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.234 8.024 -7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.949 8.017 -7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.495 7.711 -5.786 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.328 3.003 -7.190 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.451 1.732 -7.973 1.00 0.00 C ATOM 1004 C GLU A 64 -6.918 1.438 -8.318 1.00 0.00 C ATOM 1005 O GLU A 64 -7.255 1.223 -9.466 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.888 0.560 -7.160 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.509 0.178 -7.703 1.00 0.00 C ATOM 1008 CD GLU A 64 -3.628 -1.093 -8.546 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.745 -1.527 -8.771 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -2.600 -1.608 -8.952 1.00 0.00 O ATOM 0 H GLU A 64 -4.979 2.890 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.886 1.852 -8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.813 0.836 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.563 -0.294 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.106 0.991 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.814 0.017 -6.879 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.794 1.400 -7.345 1.00 0.00 N ATOM 1018 CA LEU A 65 -9.227 1.084 -7.667 1.00 0.00 C ATOM 1019 C LEU A 65 -10.129 2.304 -7.476 1.00 0.00 C ATOM 1020 O LEU A 65 -11.339 2.196 -7.477 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.755 -0.075 -6.804 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.987 -0.203 -5.484 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -7.562 -0.688 -5.753 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.959 1.139 -4.751 1.00 0.00 C ATOM 0 H LEU A 65 -7.589 1.570 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.251 0.787 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.813 0.082 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.675 -1.008 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.495 -0.932 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.023 -0.776 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.595 -1.661 -6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.050 0.027 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.410 1.031 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.468 1.885 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.979 1.459 -4.538 1.00 0.00 H new ATOM 1036 N GLN A 66 -9.563 3.459 -7.319 1.00 0.00 N ATOM 1037 CA GLN A 66 -10.408 4.676 -7.141 1.00 0.00 C ATOM 1038 C GLN A 66 -10.606 5.360 -8.495 1.00 0.00 C ATOM 1039 O GLN A 66 -11.489 6.179 -8.665 1.00 0.00 O ATOM 1040 CB GLN A 66 -9.734 5.651 -6.174 1.00 0.00 C ATOM 1041 CG GLN A 66 -9.806 5.089 -4.752 1.00 0.00 C ATOM 1042 CD GLN A 66 -11.225 5.124 -4.253 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -12.013 5.967 -4.634 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -11.582 4.223 -3.402 1.00 0.00 N ATOM 0 H GLN A 66 -8.556 3.620 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.374 4.380 -6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.695 5.807 -6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.226 6.623 -6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.433 4.065 -4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.165 5.671 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.911 3.521 -3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.536 4.212 -3.041 1.00 0.00 H new ATOM 1053 N LYS A 67 -9.793 5.032 -9.460 1.00 0.00 N ATOM 1054 CA LYS A 67 -9.939 5.662 -10.801 1.00 0.00 C ATOM 1055 C LYS A 67 -10.704 4.715 -11.725 1.00 0.00 C ATOM 1056 O LYS A 67 -11.649 5.101 -12.384 1.00 0.00 O ATOM 1057 CB LYS A 67 -8.554 5.943 -11.388 1.00 0.00 C ATOM 1058 CG LYS A 67 -8.024 7.269 -10.835 1.00 0.00 C ATOM 1059 CD LYS A 67 -6.566 7.453 -11.258 1.00 0.00 C ATOM 1060 CE LYS A 67 -6.515 8.136 -12.627 1.00 0.00 C ATOM 1061 NZ LYS A 67 -5.106 8.173 -13.110 1.00 0.00 N ATOM 0 H LYS A 67 -9.034 4.355 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.487 6.599 -10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.870 5.133 -11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.610 5.987 -12.476 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.628 8.097 -11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.102 7.279 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.035 8.054 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.064 6.486 -11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.141 7.597 -13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.913 9.148 -12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.070 8.637 -14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.521 8.706 -12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.742 7.202 -13.193 1.00 0.00 H new ATOM 1075 N LEU A 68 -10.302 3.477 -11.775 1.00 0.00 N ATOM 1076 CA LEU A 68 -10.998 2.499 -12.650 1.00 0.00 C ATOM 1077 C LEU A 68 -12.219 1.938 -11.917 1.00 0.00 C ATOM 1078 O LEU A 68 -13.026 1.290 -12.562 1.00 0.00 O ATOM 1079 CB LEU A 68 -10.037 1.360 -12.990 1.00 0.00 C ATOM 1080 CG LEU A 68 -8.612 1.905 -13.108 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -7.705 0.839 -13.723 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -8.616 3.148 -14.002 1.00 0.00 C ATOM 1083 OXT LEU A 68 -12.326 2.167 -10.722 1.00 0.00 O ATOM 0 H LEU A 68 -9.517 3.100 -11.244 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.323 2.991 -13.567 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.080 0.592 -12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.335 0.887 -13.926 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.241 2.168 -12.118 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.690 1.229 -13.806 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.702 -0.047 -13.088 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.075 0.574 -14.714 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.602 3.538 -14.087 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.987 2.883 -14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.262 3.909 -13.564 1.00 0.00 H new TER 1095 LEU A 68