USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 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 Single : X 1 MET CE :methyl 162:sc= -1.41 (180deg=-2.34!) USER MOD Single : X 1 MET N :NH3+ -119:sc= -0.25 (180deg=-2.48!) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : X 6 SER OG : rot 180:sc= -0.305 USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.1) USER MOD Single : X 16 LYS NZ :NH3+ 151:sc= -1.17 (180deg=-2.59!) USER MOD Single : X 17 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.33) USER MOD Single : X 20 LYS NZ :NH3+ -140:sc= -0.0519 (180deg=-0.686) USER MOD Single : X 21 THR OG1 : rot -44:sc= 1.02 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ -174:sc= -0.526 (180deg=-0.572) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 144:sc= 0.495 (180deg=0.0474) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot -170:sc= -0.495 USER MOD Single : X 42 CYS SG : rot 180:sc= 0 USER MOD Single : X 47 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : X 50 THR OG1 : rot 180:sc=0.000328 USER MOD Single : X 54 LYS NZ :NH3+ -126:sc= -0.956 (180deg=-1.74) USER MOD Single : X 62 CYS SG : rot 83:sc= 0.622 USER MOD Single : X 64 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -0.784 K(o=-0.78,f=-3.7!) USER MOD Single : X 69 THR OG1 : rot 93:sc= 0.898 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.0271 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN :FLIP amide:sc= -0.908 F(o=-2.5!,f=-0.91) USER MOD Single : X 87 LYS NZ :NH3+ -169:sc= -6.29! (180deg=-6.98!) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN :FLIP amide:sc= -0.105 F(o=-2.3!,f=-0.11) USER MOD Single : X 98 GLN :FLIP amide:sc= 0.832 F(o=0,f=0.83) USER MOD Single : X 100 MET CE :methyl -143:sc= -0.123 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 71.330 -3.965 0.272 1.00 1.00 N ATOM 2 CA MET X 1 71.022 -5.392 0.570 1.00 1.00 C ATOM 3 C MET X 1 70.433 -6.059 -0.675 1.00 1.00 C ATOM 4 O MET X 1 71.053 -6.104 -1.718 1.00 1.00 O ATOM 5 CB MET X 1 70.011 -5.469 1.716 1.00 1.00 C ATOM 6 CG MET X 1 70.668 -4.981 3.009 1.00 1.00 C ATOM 7 SD MET X 1 69.458 -5.030 4.355 1.00 1.00 S ATOM 8 CE MET X 1 69.252 -6.828 4.409 1.00 1.00 C ATOM 0 H1 MET X 1 72.349 -3.797 0.393 1.00 1.00 H new ATOM 0 H2 MET X 1 71.057 -3.748 -0.708 1.00 1.00 H new ATOM 0 H3 MET X 1 70.799 -3.352 0.923 1.00 1.00 H new ATOM 0 HA MET X 1 71.938 -5.907 0.859 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.138 -4.859 1.486 1.00 1.00 H new ATOM 0 HB3 MET X 1 69.661 -6.494 1.838 1.00 1.00 H new ATOM 0 HG2 MET X 1 71.525 -5.608 3.253 1.00 1.00 H new ATOM 0 HG3 MET X 1 71.042 -3.966 2.879 1.00 1.00 H new ATOM 0 HE1 MET X 1 68.802 -7.114 5.360 1.00 1.00 H new ATOM 0 HE2 MET X 1 68.604 -7.145 3.591 1.00 1.00 H new ATOM 0 HE3 MET X 1 70.225 -7.309 4.308 1.00 1.00 H new ATOM 20 N GLY X 2 69.239 -6.576 -0.573 1.00 1.00 N ATOM 21 CA GLY X 2 68.612 -7.239 -1.752 1.00 1.00 C ATOM 22 C GLY X 2 69.147 -8.665 -1.882 1.00 1.00 C ATOM 23 O GLY X 2 68.819 -9.379 -2.810 1.00 1.00 O ATOM 0 H GLY X 2 68.671 -6.568 0.274 1.00 1.00 H new ATOM 0 HA2 GLY X 2 67.528 -7.255 -1.639 1.00 1.00 H new ATOM 0 HA3 GLY X 2 68.830 -6.674 -2.658 1.00 1.00 H new ATOM 27 N GLN X 3 69.970 -9.087 -0.962 1.00 1.00 N ATOM 28 CA GLN X 3 70.519 -10.470 -1.028 1.00 1.00 C ATOM 29 C GLN X 3 70.311 -11.169 0.317 1.00 1.00 C ATOM 30 O GLN X 3 70.094 -10.532 1.329 1.00 1.00 O ATOM 31 CB GLN X 3 72.015 -10.411 -1.348 1.00 1.00 C ATOM 32 CG GLN X 3 72.210 -10.044 -2.820 1.00 1.00 C ATOM 33 CD GLN X 3 73.702 -9.876 -3.111 1.00 1.00 C ATOM 34 OE1 GLN X 3 74.520 -9.947 -2.216 1.00 1.00 O ATOM 35 NE2 GLN X 3 74.094 -9.655 -4.337 1.00 1.00 N ATOM 0 H GLN X 3 70.286 -8.533 -0.166 1.00 1.00 H new ATOM 0 HA GLN X 3 70.002 -11.028 -1.809 1.00 1.00 H new ATOM 0 HB2 GLN X 3 72.505 -9.674 -0.711 1.00 1.00 H new ATOM 0 HB3 GLN X 3 72.481 -11.374 -1.138 1.00 1.00 H new ATOM 0 HG2 GLN X 3 71.789 -10.821 -3.458 1.00 1.00 H new ATOM 0 HG3 GLN X 3 71.678 -9.121 -3.049 1.00 1.00 H new ATOM 0 HE21 GLN X 3 73.407 -9.595 -5.089 1.00 1.00 H new ATOM 0 HE22 GLN X 3 75.087 -9.542 -4.543 1.00 1.00 H new ATOM 44 N GLU X 4 70.375 -12.471 0.337 1.00 1.00 N ATOM 45 CA GLU X 4 70.184 -13.208 1.618 1.00 1.00 C ATOM 46 C GLU X 4 71.288 -12.816 2.603 1.00 1.00 C ATOM 47 O GLU X 4 72.409 -12.549 2.220 1.00 1.00 O ATOM 48 CB GLU X 4 70.249 -14.714 1.355 1.00 1.00 C ATOM 49 CG GLU X 4 69.026 -15.143 0.542 1.00 1.00 C ATOM 50 CD GLU X 4 69.132 -16.633 0.207 1.00 1.00 C ATOM 51 OE1 GLU X 4 70.137 -17.228 0.558 1.00 1.00 O ATOM 52 OE2 GLU X 4 68.207 -17.151 -0.396 1.00 1.00 O ATOM 0 H GLU X 4 70.551 -13.057 -0.479 1.00 1.00 H new ATOM 0 HA GLU X 4 69.212 -12.954 2.041 1.00 1.00 H new ATOM 0 HB2 GLU X 4 71.163 -14.960 0.815 1.00 1.00 H new ATOM 0 HB3 GLU X 4 70.280 -15.258 2.299 1.00 1.00 H new ATOM 0 HG2 GLU X 4 68.114 -14.951 1.108 1.00 1.00 H new ATOM 0 HG3 GLU X 4 68.962 -14.557 -0.375 1.00 1.00 H new ATOM 59 N LEU X 5 70.979 -12.780 3.871 1.00 1.00 N ATOM 60 CA LEU X 5 72.012 -12.410 4.878 1.00 1.00 C ATOM 61 C LEU X 5 72.701 -13.677 5.392 1.00 1.00 C ATOM 62 O LEU X 5 72.172 -14.393 6.218 1.00 1.00 O ATOM 63 CB LEU X 5 71.347 -11.681 6.050 1.00 1.00 C ATOM 64 CG LEU X 5 70.926 -10.279 5.605 1.00 1.00 C ATOM 65 CD1 LEU X 5 70.104 -9.618 6.712 1.00 1.00 C ATOM 66 CD2 LEU X 5 72.174 -9.438 5.326 1.00 1.00 C ATOM 0 H LEU X 5 70.057 -12.991 4.252 1.00 1.00 H new ATOM 0 HA LEU X 5 72.751 -11.756 4.415 1.00 1.00 H new ATOM 0 HB2 LEU X 5 70.478 -12.241 6.395 1.00 1.00 H new ATOM 0 HB3 LEU X 5 72.038 -11.615 6.891 1.00 1.00 H new ATOM 0 HG LEU X 5 70.324 -10.350 4.699 1.00 1.00 H new ATOM 0 HD11 LEU X 5 69.804 -8.619 6.395 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.216 -10.217 6.913 1.00 1.00 H new ATOM 0 HD13 LEU X 5 70.705 -9.546 7.618 1.00 1.00 H new ATOM 0 HD21 LEU X 5 71.876 -8.439 5.009 1.00 1.00 H new ATOM 0 HD22 LEU X 5 72.775 -9.367 6.233 1.00 1.00 H new ATOM 0 HD23 LEU X 5 72.761 -9.909 4.538 1.00 1.00 H new ATOM 78 N SER X 6 73.882 -13.956 4.911 1.00 1.00 N ATOM 79 CA SER X 6 74.612 -15.169 5.378 1.00 1.00 C ATOM 80 C SER X 6 75.345 -14.851 6.685 1.00 1.00 C ATOM 81 O SER X 6 75.431 -13.712 7.098 1.00 1.00 O ATOM 82 CB SER X 6 75.625 -15.596 4.318 1.00 1.00 C ATOM 83 OG SER X 6 76.375 -14.462 3.901 1.00 1.00 O ATOM 0 H SER X 6 74.373 -13.396 4.214 1.00 1.00 H new ATOM 0 HA SER X 6 73.901 -15.978 5.546 1.00 1.00 H new ATOM 0 HB2 SER X 6 76.291 -16.359 4.721 1.00 1.00 H new ATOM 0 HB3 SER X 6 75.111 -16.040 3.465 1.00 1.00 H new ATOM 0 HG SER X 6 77.027 -14.733 3.222 1.00 1.00 H new ATOM 89 N GLN X 7 75.876 -15.849 7.337 1.00 1.00 N ATOM 90 CA GLN X 7 76.598 -15.602 8.615 1.00 1.00 C ATOM 91 C GLN X 7 77.682 -14.545 8.392 1.00 1.00 C ATOM 92 O GLN X 7 77.861 -13.648 9.192 1.00 1.00 O ATOM 93 CB GLN X 7 77.249 -16.904 9.095 1.00 1.00 C ATOM 94 CG GLN X 7 76.160 -17.908 9.483 1.00 1.00 C ATOM 95 CD GLN X 7 76.811 -19.203 9.973 1.00 1.00 C ATOM 96 OE1 GLN X 7 77.993 -19.234 10.254 1.00 1.00 O ATOM 97 NE2 GLN X 7 76.085 -20.280 10.088 1.00 1.00 N ATOM 0 H GLN X 7 75.841 -16.824 7.039 1.00 1.00 H new ATOM 0 HA GLN X 7 75.893 -15.249 9.367 1.00 1.00 H new ATOM 0 HB2 GLN X 7 77.878 -17.320 8.308 1.00 1.00 H new ATOM 0 HB3 GLN X 7 77.896 -16.706 9.949 1.00 1.00 H new ATOM 0 HG2 GLN X 7 75.526 -17.489 10.264 1.00 1.00 H new ATOM 0 HG3 GLN X 7 75.517 -18.113 8.627 1.00 1.00 H new ATOM 0 HE21 GLN X 7 75.093 -20.254 9.852 1.00 1.00 H new ATOM 0 HE22 GLN X 7 76.509 -21.149 10.414 1.00 1.00 H new ATOM 106 N HIS X 8 78.404 -14.642 7.310 1.00 1.00 N ATOM 107 CA HIS X 8 79.479 -13.646 7.039 1.00 1.00 C ATOM 108 C HIS X 8 78.856 -12.263 6.835 1.00 1.00 C ATOM 109 O HIS X 8 79.343 -11.272 7.342 1.00 1.00 O ATOM 110 CB HIS X 8 80.243 -14.051 5.777 1.00 1.00 C ATOM 111 CG HIS X 8 81.334 -13.052 5.509 1.00 1.00 C ATOM 112 ND1 HIS X 8 82.545 -13.076 6.187 1.00 1.00 N ATOM 113 CD2 HIS X 8 81.414 -11.991 4.639 1.00 1.00 C ATOM 114 CE1 HIS X 8 83.294 -12.061 5.719 1.00 1.00 C ATOM 115 NE2 HIS X 8 82.650 -11.372 4.775 1.00 1.00 N ATOM 0 H HIS X 8 78.296 -15.368 6.602 1.00 1.00 H new ATOM 0 HA HIS X 8 80.165 -13.614 7.886 1.00 1.00 H new ATOM 0 HB2 HIS X 8 80.669 -15.046 5.901 1.00 1.00 H new ATOM 0 HB3 HIS X 8 79.563 -14.099 4.927 1.00 1.00 H new ATOM 0 HD2 HIS X 8 80.636 -11.686 3.955 1.00 1.00 H new ATOM 0 HE1 HIS X 8 84.292 -11.833 6.064 1.00 1.00 H new ATOM 0 HE2 HIS X 8 82.993 -10.561 4.261 1.00 1.00 H new ATOM 123 N GLU X 9 77.783 -12.189 6.096 1.00 1.00 N ATOM 124 CA GLU X 9 77.133 -10.869 5.859 1.00 1.00 C ATOM 125 C GLU X 9 76.533 -10.356 7.170 1.00 1.00 C ATOM 126 O GLU X 9 76.519 -9.170 7.435 1.00 1.00 O ATOM 127 CB GLU X 9 76.026 -11.026 4.815 1.00 1.00 C ATOM 128 CG GLU X 9 76.647 -11.358 3.457 1.00 1.00 C ATOM 129 CD GLU X 9 75.539 -11.527 2.417 1.00 1.00 C ATOM 130 OE1 GLU X 9 74.381 -11.436 2.792 1.00 1.00 O ATOM 131 OE2 GLU X 9 75.865 -11.744 1.261 1.00 1.00 O ATOM 0 H GLU X 9 77.329 -12.984 5.647 1.00 1.00 H new ATOM 0 HA GLU X 9 77.874 -10.157 5.496 1.00 1.00 H new ATOM 0 HB2 GLU X 9 75.338 -11.817 5.115 1.00 1.00 H new ATOM 0 HB3 GLU X 9 75.444 -10.107 4.746 1.00 1.00 H new ATOM 0 HG2 GLU X 9 77.328 -10.563 3.153 1.00 1.00 H new ATOM 0 HG3 GLU X 9 77.236 -12.272 3.528 1.00 1.00 H new ATOM 138 N ARG X 10 76.035 -11.239 7.990 1.00 1.00 N ATOM 139 CA ARG X 10 75.436 -10.806 9.283 1.00 1.00 C ATOM 140 C ARG X 10 76.527 -10.248 10.196 1.00 1.00 C ATOM 141 O ARG X 10 76.321 -9.288 10.912 1.00 1.00 O ATOM 142 CB ARG X 10 74.764 -12.001 9.961 1.00 1.00 C ATOM 143 CG ARG X 10 73.469 -12.349 9.222 1.00 1.00 C ATOM 144 CD ARG X 10 72.804 -13.553 9.893 1.00 1.00 C ATOM 145 NE ARG X 10 71.479 -13.806 9.261 1.00 1.00 N ATOM 146 CZ ARG X 10 70.618 -14.597 9.842 1.00 1.00 C ATOM 147 NH1 ARG X 10 70.918 -15.164 10.978 1.00 1.00 N ATOM 148 NH2 ARG X 10 69.458 -14.818 9.288 1.00 1.00 N ATOM 0 H ARG X 10 76.017 -12.245 7.820 1.00 1.00 H new ATOM 0 HA ARG X 10 74.694 -10.031 9.094 1.00 1.00 H new ATOM 0 HB2 ARG X 10 75.437 -12.858 9.960 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.548 -11.767 11.003 1.00 1.00 H new ATOM 0 HG2 ARG X 10 72.792 -11.495 9.231 1.00 1.00 H new ATOM 0 HG3 ARG X 10 73.684 -12.574 8.177 1.00 1.00 H new ATOM 0 HD2 ARG X 10 73.439 -14.433 9.796 1.00 1.00 H new ATOM 0 HD3 ARG X 10 72.680 -13.366 10.960 1.00 1.00 H new ATOM 0 HE ARG X 10 71.244 -13.361 8.374 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.825 -14.989 11.412 1.00 1.00 H new ATOM 0 HH12 ARG X 10 70.246 -15.782 11.433 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.223 -14.373 8.401 1.00 1.00 H new ATOM 0 HH22 ARG X 10 68.785 -15.436 9.742 1.00 1.00 H new ATOM 162 N TYR X 11 77.688 -10.846 10.182 1.00 1.00 N ATOM 163 CA TYR X 11 78.784 -10.358 11.064 1.00 1.00 C ATOM 164 C TYR X 11 79.148 -8.922 10.683 1.00 1.00 C ATOM 165 O TYR X 11 79.199 -8.042 11.520 1.00 1.00 O ATOM 166 CB TYR X 11 80.012 -11.255 10.894 1.00 1.00 C ATOM 167 CG TYR X 11 81.136 -10.740 11.762 1.00 1.00 C ATOM 168 CD1 TYR X 11 81.103 -10.949 13.146 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.210 -10.054 11.183 1.00 1.00 C ATOM 170 CE1 TYR X 11 82.144 -10.472 13.951 1.00 1.00 C ATOM 171 CE2 TYR X 11 83.252 -9.576 11.989 1.00 1.00 C ATOM 172 CZ TYR X 11 83.218 -9.785 13.373 1.00 1.00 C ATOM 173 OH TYR X 11 84.244 -9.315 14.167 1.00 1.00 O ATOM 0 H TYR X 11 77.923 -11.649 9.599 1.00 1.00 H new ATOM 0 HA TYR X 11 78.452 -10.385 12.102 1.00 1.00 H new ATOM 0 HB2 TYR X 11 79.767 -12.281 11.169 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.323 -11.270 9.849 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.274 -11.478 13.593 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.236 -9.893 10.115 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.119 -10.634 15.018 1.00 1.00 H new ATOM 0 HE2 TYR X 11 84.081 -9.047 11.543 1.00 1.00 H new ATOM 0 HH TYR X 11 84.910 -8.863 13.608 1.00 1.00 H new ATOM 183 N VAL X 12 79.396 -8.676 9.426 1.00 1.00 N ATOM 184 CA VAL X 12 79.760 -7.295 8.995 1.00 1.00 C ATOM 185 C VAL X 12 78.545 -6.382 9.150 1.00 1.00 C ATOM 186 O VAL X 12 78.670 -5.211 9.449 1.00 1.00 O ATOM 187 CB VAL X 12 80.200 -7.314 7.532 1.00 1.00 C ATOM 188 CG1 VAL X 12 81.469 -8.157 7.391 1.00 1.00 C ATOM 189 CG2 VAL X 12 79.087 -7.923 6.675 1.00 1.00 C ATOM 0 H VAL X 12 79.363 -9.370 8.679 1.00 1.00 H new ATOM 0 HA VAL X 12 80.578 -6.924 9.613 1.00 1.00 H new ATOM 0 HB VAL X 12 80.402 -6.296 7.200 1.00 1.00 H new ATOM 0 HG11 VAL X 12 81.783 -8.170 6.347 1.00 1.00 H new ATOM 0 HG12 VAL X 12 82.262 -7.726 8.003 1.00 1.00 H new ATOM 0 HG13 VAL X 12 81.268 -9.176 7.723 1.00 1.00 H new ATOM 0 HG21 VAL X 12 79.399 -7.938 5.631 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.887 -8.941 7.008 1.00 1.00 H new ATOM 0 HG23 VAL X 12 78.182 -7.324 6.775 1.00 1.00 H new ATOM 199 N GLU X 13 77.369 -6.907 8.948 1.00 1.00 N ATOM 200 CA GLU X 13 76.145 -6.072 9.094 1.00 1.00 C ATOM 201 C GLU X 13 76.096 -5.495 10.511 1.00 1.00 C ATOM 202 O GLU X 13 75.773 -4.341 10.708 1.00 1.00 O ATOM 203 CB GLU X 13 74.905 -6.933 8.850 1.00 1.00 C ATOM 204 CG GLU X 13 73.655 -6.053 8.900 1.00 1.00 C ATOM 205 CD GLU X 13 72.413 -6.913 8.658 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.566 -8.117 8.532 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.330 -6.354 8.605 1.00 1.00 O ATOM 0 H GLU X 13 77.203 -7.879 8.688 1.00 1.00 H new ATOM 0 HA GLU X 13 76.168 -5.260 8.367 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.977 -7.426 7.881 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.840 -7.718 9.603 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.584 -5.559 9.869 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.719 -5.269 8.146 1.00 1.00 H new ATOM 214 N GLN X 14 76.414 -6.286 11.499 1.00 1.00 N ATOM 215 CA GLN X 14 76.405 -5.766 12.895 1.00 1.00 C ATOM 216 C GLN X 14 77.466 -4.670 13.019 1.00 1.00 C ATOM 217 O GLN X 14 77.261 -3.667 13.672 1.00 1.00 O ATOM 218 CB GLN X 14 76.730 -6.902 13.867 1.00 1.00 C ATOM 219 CG GLN X 14 76.641 -6.384 15.305 1.00 1.00 C ATOM 220 CD GLN X 14 75.190 -6.025 15.629 1.00 1.00 C ATOM 221 OE1 GLN X 14 74.274 -6.701 15.203 1.00 1.00 O ATOM 222 NE2 GLN X 14 74.939 -4.981 16.370 1.00 1.00 N ATOM 0 H GLN X 14 76.679 -7.266 11.400 1.00 1.00 H new ATOM 0 HA GLN X 14 75.421 -5.361 13.133 1.00 1.00 H new ATOM 0 HB2 GLN X 14 76.034 -7.728 13.723 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.730 -7.289 13.670 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.003 -7.143 15.999 1.00 1.00 H new ATOM 0 HG3 GLN X 14 77.279 -5.509 15.428 1.00 1.00 H new ATOM 0 HE21 GLN X 14 75.707 -4.413 16.728 1.00 1.00 H new ATOM 0 HE22 GLN X 14 73.975 -4.733 16.591 1.00 1.00 H new ATOM 231 N LEU X 15 78.600 -4.859 12.404 1.00 1.00 N ATOM 232 CA LEU X 15 79.666 -3.825 12.486 1.00 1.00 C ATOM 233 C LEU X 15 79.122 -2.513 11.918 1.00 1.00 C ATOM 234 O LEU X 15 79.380 -1.444 12.439 1.00 1.00 O ATOM 235 CB LEU X 15 80.878 -4.274 11.667 1.00 1.00 C ATOM 236 CG LEU X 15 81.935 -3.169 11.673 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.355 -2.871 13.114 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.155 -3.628 10.872 1.00 1.00 C ATOM 0 H LEU X 15 78.833 -5.683 11.850 1.00 1.00 H new ATOM 0 HA LEU X 15 79.968 -3.684 13.524 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.293 -5.191 12.085 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.576 -4.498 10.644 1.00 1.00 H new ATOM 0 HG LEU X 15 81.520 -2.267 11.222 1.00 1.00 H new ATOM 0 HD11 LEU X 15 83.108 -2.083 13.118 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.486 -2.545 13.686 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.770 -3.772 13.566 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.909 -2.841 10.875 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.569 -4.529 11.324 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.857 -3.841 9.845 1.00 1.00 H new ATOM 250 N LYS X 16 78.375 -2.587 10.852 1.00 1.00 N ATOM 251 CA LYS X 16 77.811 -1.350 10.243 1.00 1.00 C ATOM 252 C LYS X 16 76.895 -0.656 11.249 1.00 1.00 C ATOM 253 O LYS X 16 76.933 0.548 11.411 1.00 1.00 O ATOM 254 CB LYS X 16 77.010 -1.716 8.991 1.00 1.00 C ATOM 255 CG LYS X 16 76.503 -0.439 8.318 1.00 1.00 C ATOM 256 CD LYS X 16 75.696 -0.806 7.072 1.00 1.00 C ATOM 257 CE LYS X 16 75.202 0.471 6.390 1.00 1.00 C ATOM 258 NZ LYS X 16 74.403 0.112 5.184 1.00 1.00 N ATOM 0 H LYS X 16 78.130 -3.454 10.374 1.00 1.00 H new ATOM 0 HA LYS X 16 78.625 -0.678 9.970 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.635 -2.281 8.299 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.170 -2.357 9.258 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.883 0.129 9.012 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.343 0.199 8.045 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.313 -1.384 6.383 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.849 -1.435 7.346 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.594 1.054 7.082 1.00 1.00 H new ATOM 0 HE3 LYS X 16 76.049 1.095 6.106 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.691 0.849 5.007 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 75.033 0.035 4.360 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.927 -0.799 5.342 1.00 1.00 H new ATOM 272 N GLN X 17 76.069 -1.403 11.929 1.00 1.00 N ATOM 273 CA GLN X 17 75.152 -0.778 12.923 1.00 1.00 C ATOM 274 C GLN X 17 75.979 0.020 13.931 1.00 1.00 C ATOM 275 O GLN X 17 75.641 1.133 14.283 1.00 1.00 O ATOM 276 CB GLN X 17 74.370 -1.871 13.655 1.00 1.00 C ATOM 277 CG GLN X 17 73.463 -2.602 12.663 1.00 1.00 C ATOM 278 CD GLN X 17 72.391 -1.640 12.145 1.00 1.00 C ATOM 279 OE1 GLN X 17 71.714 -0.993 12.919 1.00 1.00 O ATOM 280 NE2 GLN X 17 72.207 -1.520 10.859 1.00 1.00 N ATOM 0 H GLN X 17 75.990 -2.416 11.840 1.00 1.00 H new ATOM 0 HA GLN X 17 74.453 -0.115 12.413 1.00 1.00 H new ATOM 0 HB2 GLN X 17 75.059 -2.575 14.121 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.773 -1.432 14.455 1.00 1.00 H new ATOM 0 HG2 GLN X 17 74.053 -2.988 11.831 1.00 1.00 H new ATOM 0 HG3 GLN X 17 72.994 -3.459 13.146 1.00 1.00 H new ATOM 0 HE21 GLN X 17 72.776 -2.063 10.210 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.495 -0.883 10.503 1.00 1.00 H new ATOM 289 N ALA X 18 77.062 -0.540 14.397 1.00 1.00 N ATOM 290 CA ALA X 18 77.919 0.190 15.374 1.00 1.00 C ATOM 291 C ALA X 18 78.505 1.432 14.702 1.00 1.00 C ATOM 292 O ALA X 18 78.582 2.491 15.295 1.00 1.00 O ATOM 293 CB ALA X 18 79.055 -0.724 15.836 1.00 1.00 C ATOM 0 H ALA X 18 77.390 -1.472 14.143 1.00 1.00 H new ATOM 0 HA ALA X 18 77.321 0.489 16.235 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.683 -0.192 16.551 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.637 -1.612 16.311 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.656 -1.021 14.976 1.00 1.00 H new ATOM 299 N LEU X 19 78.919 1.314 13.471 1.00 1.00 N ATOM 300 CA LEU X 19 79.487 2.493 12.762 1.00 1.00 C ATOM 301 C LEU X 19 78.394 3.549 12.585 1.00 1.00 C ATOM 302 O LEU X 19 78.639 4.735 12.692 1.00 1.00 O ATOM 303 CB LEU X 19 80.011 2.063 11.391 1.00 1.00 C ATOM 304 CG LEU X 19 81.211 1.132 11.570 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.656 0.601 10.206 1.00 1.00 C ATOM 306 CD2 LEU X 19 82.364 1.905 12.214 1.00 1.00 C ATOM 0 H LEU X 19 78.888 0.452 12.926 1.00 1.00 H new ATOM 0 HA LEU X 19 80.308 2.910 13.346 1.00 1.00 H new ATOM 0 HB2 LEU X 19 79.224 1.556 10.832 1.00 1.00 H new ATOM 0 HB3 LEU X 19 80.301 2.939 10.810 1.00 1.00 H new ATOM 0 HG LEU X 19 80.928 0.297 12.210 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.511 -0.062 10.335 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.836 0.050 9.745 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.938 1.436 9.565 1.00 1.00 H new ATOM 0 HD21 LEU X 19 83.220 1.242 12.342 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.645 2.741 11.573 1.00 1.00 H new ATOM 0 HD23 LEU X 19 82.050 2.284 13.187 1.00 1.00 H new ATOM 318 N LYS X 20 77.189 3.128 12.312 1.00 1.00 N ATOM 319 CA LYS X 20 76.083 4.107 12.123 1.00 1.00 C ATOM 320 C LYS X 20 75.908 4.925 13.403 1.00 1.00 C ATOM 321 O LYS X 20 75.706 6.122 13.366 1.00 1.00 O ATOM 322 CB LYS X 20 74.786 3.358 11.814 1.00 1.00 C ATOM 323 CG LYS X 20 73.669 4.364 11.525 1.00 1.00 C ATOM 324 CD LYS X 20 72.388 3.615 11.155 1.00 1.00 C ATOM 325 CE LYS X 20 71.282 4.622 10.836 1.00 1.00 C ATOM 326 NZ LYS X 20 71.038 5.484 12.027 1.00 1.00 N ATOM 0 H LYS X 20 76.923 2.148 12.212 1.00 1.00 H new ATOM 0 HA LYS X 20 76.322 4.773 11.294 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.929 2.701 10.956 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.510 2.725 12.657 1.00 1.00 H new ATOM 0 HG2 LYS X 20 73.496 4.992 12.399 1.00 1.00 H new ATOM 0 HG3 LYS X 20 73.964 5.026 10.711 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.567 2.970 10.294 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.081 2.970 11.978 1.00 1.00 H new ATOM 0 HE2 LYS X 20 71.569 5.236 9.982 1.00 1.00 H new ATOM 0 HE3 LYS X 20 70.367 4.098 10.559 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 70.016 5.647 12.134 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 71.405 5.012 12.878 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 71.523 6.396 11.901 1.00 1.00 H new ATOM 340 N THR X 21 75.987 4.285 14.538 1.00 1.00 N ATOM 341 CA THR X 21 75.839 5.025 15.822 1.00 1.00 C ATOM 342 C THR X 21 76.977 6.040 15.953 1.00 1.00 C ATOM 343 O THR X 21 76.815 7.098 16.529 1.00 1.00 O ATOM 344 CB THR X 21 75.900 4.038 16.989 1.00 1.00 C ATOM 345 OG1 THR X 21 77.185 3.435 17.030 1.00 1.00 O ATOM 346 CG2 THR X 21 74.834 2.957 16.800 1.00 1.00 C ATOM 0 H THR X 21 76.148 3.282 14.631 1.00 1.00 H new ATOM 0 HA THR X 21 74.881 5.545 15.837 1.00 1.00 H new ATOM 0 HB THR X 21 75.717 4.568 17.924 1.00 1.00 H new ATOM 0 HG1 THR X 21 77.454 3.177 16.124 1.00 1.00 H new ATOM 0 HG21 THR X 21 74.878 2.254 17.632 1.00 1.00 H new ATOM 0 HG22 THR X 21 73.848 3.420 16.768 1.00 1.00 H new ATOM 0 HG23 THR X 21 75.016 2.426 15.866 1.00 1.00 H new ATOM 354 N ARG X 22 78.127 5.730 15.420 1.00 1.00 N ATOM 355 CA ARG X 22 79.269 6.682 15.503 1.00 1.00 C ATOM 356 C ARG X 22 79.008 7.863 14.567 1.00 1.00 C ATOM 357 O ARG X 22 79.619 8.907 14.685 1.00 1.00 O ATOM 358 CB ARG X 22 80.557 5.975 15.087 1.00 1.00 C ATOM 359 CG ARG X 22 80.960 4.970 16.167 1.00 1.00 C ATOM 360 CD ARG X 22 82.269 4.286 15.767 1.00 1.00 C ATOM 361 NE ARG X 22 82.672 3.322 16.831 1.00 1.00 N ATOM 362 CZ ARG X 22 83.661 2.496 16.623 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.295 2.509 15.482 1.00 1.00 N ATOM 364 NH2 ARG X 22 84.015 1.656 17.556 1.00 1.00 N ATOM 0 H ARG X 22 78.325 4.857 14.930 1.00 1.00 H new ATOM 0 HA ARG X 22 79.371 7.041 16.527 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.412 5.464 14.135 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.353 6.705 14.939 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.081 5.478 17.124 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.174 4.226 16.298 1.00 1.00 H new ATOM 0 HD2 ARG X 22 82.144 3.765 14.818 1.00 1.00 H new ATOM 0 HD3 ARG X 22 83.051 5.031 15.621 1.00 1.00 H new ATOM 0 HE ARG X 22 82.175 3.308 17.721 1.00 1.00 H new ATOM 0 HH11 ARG X 22 84.018 3.165 14.752 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.068 1.863 15.321 1.00 1.00 H new ATOM 0 HH21 ARG X 22 83.519 1.645 18.447 1.00 1.00 H new ATOM 0 HH22 ARG X 22 84.788 1.010 17.394 1.00 1.00 H new ATOM 378 N GLY X 23 78.110 7.705 13.634 1.00 1.00 N ATOM 379 CA GLY X 23 77.805 8.825 12.702 1.00 1.00 C ATOM 380 C GLY X 23 78.175 8.417 11.277 1.00 1.00 C ATOM 381 O GLY X 23 78.808 9.159 10.553 1.00 1.00 O ATOM 0 H GLY X 23 77.576 6.850 13.477 1.00 1.00 H new ATOM 0 HA2 GLY X 23 76.746 9.079 12.756 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.362 9.716 12.993 1.00 1.00 H new ATOM 385 N VAL X 24 77.785 7.239 10.869 1.00 1.00 N ATOM 386 CA VAL X 24 78.108 6.783 9.488 1.00 1.00 C ATOM 387 C VAL X 24 76.810 6.472 8.740 1.00 1.00 C ATOM 388 O VAL X 24 75.930 5.812 9.255 1.00 1.00 O ATOM 389 CB VAL X 24 78.973 5.525 9.555 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.085 4.907 8.159 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.368 5.892 10.063 1.00 1.00 C ATOM 0 H VAL X 24 77.257 6.573 11.433 1.00 1.00 H new ATOM 0 HA VAL X 24 78.652 7.568 8.963 1.00 1.00 H new ATOM 0 HB VAL X 24 78.516 4.806 10.235 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.702 4.010 8.207 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.091 4.645 7.796 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.542 5.626 7.479 1.00 1.00 H new ATOM 0 HG21 VAL X 24 80.985 4.995 10.111 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.825 6.611 9.383 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.289 6.332 11.057 1.00 1.00 H new ATOM 401 N LYS X 25 76.682 6.944 7.531 1.00 1.00 N ATOM 402 CA LYS X 25 75.440 6.671 6.757 1.00 1.00 C ATOM 403 C LYS X 25 75.814 6.284 5.325 1.00 1.00 C ATOM 404 O LYS X 25 75.989 7.129 4.469 1.00 1.00 O ATOM 405 CB LYS X 25 74.567 7.928 6.735 1.00 1.00 C ATOM 406 CG LYS X 25 74.080 8.236 8.152 1.00 1.00 C ATOM 407 CD LYS X 25 73.279 9.538 8.145 1.00 1.00 C ATOM 408 CE LYS X 25 72.820 9.864 9.568 1.00 1.00 C ATOM 409 NZ LYS X 25 72.062 11.147 9.565 1.00 1.00 N ATOM 0 H LYS X 25 77.382 7.506 7.047 1.00 1.00 H new ATOM 0 HA LYS X 25 74.888 5.855 7.224 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.135 8.771 6.343 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.716 7.781 6.070 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.461 7.418 8.521 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.930 8.323 8.829 1.00 1.00 H new ATOM 0 HD2 LYS X 25 73.890 10.351 7.754 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.416 9.443 7.486 1.00 1.00 H new ATOM 0 HE2 LYS X 25 72.193 9.060 9.952 1.00 1.00 H new ATOM 0 HE3 LYS X 25 73.682 9.940 10.231 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 71.750 11.368 10.532 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 72.675 11.911 9.215 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 71.231 11.058 8.945 1.00 1.00 H new ATOM 423 N VAL X 26 75.940 5.013 5.060 1.00 1.00 N ATOM 424 CA VAL X 26 76.309 4.571 3.685 1.00 1.00 C ATOM 425 C VAL X 26 75.352 3.467 3.234 1.00 1.00 C ATOM 426 O VAL X 26 74.687 2.840 4.037 1.00 1.00 O ATOM 427 CB VAL X 26 77.743 4.037 3.688 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.712 5.173 4.017 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.872 2.935 4.742 1.00 1.00 C ATOM 0 H VAL X 26 75.804 4.261 5.736 1.00 1.00 H new ATOM 0 HA VAL X 26 76.240 5.415 2.999 1.00 1.00 H new ATOM 0 HB VAL X 26 77.982 3.632 2.705 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.733 4.791 4.019 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.620 5.959 3.267 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.475 5.580 5.000 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.893 2.553 4.746 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.633 3.342 5.725 1.00 1.00 H new ATOM 0 HG23 VAL X 26 77.182 2.124 4.507 1.00 1.00 H new ATOM 439 N LYS X 27 75.275 3.223 1.955 1.00 1.00 N ATOM 440 CA LYS X 27 74.360 2.163 1.449 1.00 1.00 C ATOM 441 C LYS X 27 74.903 0.789 1.844 1.00 1.00 C ATOM 442 O LYS X 27 76.098 0.581 1.916 1.00 1.00 O ATOM 443 CB LYS X 27 74.260 2.255 -0.074 1.00 1.00 C ATOM 444 CG LYS X 27 73.480 3.513 -0.462 1.00 1.00 C ATOM 445 CD LYS X 27 73.335 3.576 -1.984 1.00 1.00 C ATOM 446 CE LYS X 27 72.460 4.771 -2.364 1.00 1.00 C ATOM 447 NZ LYS X 27 73.175 6.036 -2.034 1.00 1.00 N ATOM 0 H LYS X 27 75.808 3.714 1.237 1.00 1.00 H new ATOM 0 HA LYS X 27 73.370 2.301 1.884 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.257 2.283 -0.513 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.762 1.370 -0.470 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.496 3.503 0.007 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.997 4.401 -0.098 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.316 3.667 -2.450 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.890 2.653 -2.356 1.00 1.00 H new ATOM 0 HE2 LYS X 27 72.226 4.740 -3.428 1.00 1.00 H new ATOM 0 HE3 LYS X 27 71.512 4.726 -1.828 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 72.542 6.845 -2.197 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.466 6.020 -1.036 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 74.016 6.127 -2.639 1.00 1.00 H new ATOM 461 N TYR X 28 74.036 -0.152 2.100 1.00 1.00 N ATOM 462 CA TYR X 28 74.508 -1.509 2.492 1.00 1.00 C ATOM 463 C TYR X 28 75.292 -2.125 1.331 1.00 1.00 C ATOM 464 O TYR X 28 76.257 -2.836 1.529 1.00 1.00 O ATOM 465 CB TYR X 28 73.304 -2.393 2.824 1.00 1.00 C ATOM 466 CG TYR X 28 72.565 -1.816 4.008 1.00 1.00 C ATOM 467 CD1 TYR X 28 71.567 -0.853 3.810 1.00 1.00 C ATOM 468 CD2 TYR X 28 72.875 -2.245 5.304 1.00 1.00 C ATOM 469 CE1 TYR X 28 70.882 -0.318 4.908 1.00 1.00 C ATOM 470 CE2 TYR X 28 72.189 -1.711 6.402 1.00 1.00 C ATOM 471 CZ TYR X 28 71.193 -0.748 6.204 1.00 1.00 C ATOM 472 OH TYR X 28 70.516 -0.221 7.285 1.00 1.00 O ATOM 0 H TYR X 28 73.023 -0.040 2.055 1.00 1.00 H new ATOM 0 HA TYR X 28 75.152 -1.434 3.368 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.639 -2.457 1.963 1.00 1.00 H new ATOM 0 HB3 TYR X 28 73.635 -3.407 3.048 1.00 1.00 H new ATOM 0 HD1 TYR X 28 71.326 -0.523 2.810 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.644 -2.988 5.457 1.00 1.00 H new ATOM 0 HE1 TYR X 28 70.114 0.426 4.755 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.429 -2.042 7.402 1.00 1.00 H new ATOM 0 HH TYR X 28 70.852 -0.627 8.111 1.00 1.00 H new ATOM 482 N ALA X 29 74.883 -1.855 0.122 1.00 1.00 N ATOM 483 CA ALA X 29 75.601 -2.427 -1.053 1.00 1.00 C ATOM 484 C ALA X 29 77.067 -1.997 -1.011 1.00 1.00 C ATOM 485 O ALA X 29 77.951 -2.733 -1.403 1.00 1.00 O ATOM 486 CB ALA X 29 74.957 -1.916 -2.343 1.00 1.00 C ATOM 0 H ALA X 29 74.083 -1.263 -0.104 1.00 1.00 H new ATOM 0 HA ALA X 29 75.539 -3.515 -1.023 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.482 -2.334 -3.202 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.911 -2.221 -2.373 1.00 1.00 H new ATOM 0 HB3 ALA X 29 75.019 -0.828 -2.374 1.00 1.00 H new ATOM 492 N ASP X 30 77.334 -0.811 -0.538 1.00 1.00 N ATOM 493 CA ASP X 30 78.745 -0.336 -0.475 1.00 1.00 C ATOM 494 C ASP X 30 79.564 -1.294 0.393 1.00 1.00 C ATOM 495 O ASP X 30 80.667 -1.669 0.047 1.00 1.00 O ATOM 496 CB ASP X 30 78.784 1.066 0.139 1.00 1.00 C ATOM 497 CG ASP X 30 78.222 2.076 -0.861 1.00 1.00 C ATOM 498 OD1 ASP X 30 78.073 1.716 -2.017 1.00 1.00 O ATOM 499 OD2 ASP X 30 77.950 3.194 -0.455 1.00 1.00 O ATOM 0 H ASP X 30 76.637 -0.151 -0.193 1.00 1.00 H new ATOM 0 HA ASP X 30 79.164 -0.304 -1.481 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.202 1.088 1.060 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.808 1.331 0.403 1.00 1.00 H new ATOM 504 N LEU X 31 79.033 -1.694 1.515 1.00 1.00 N ATOM 505 CA LEU X 31 79.785 -2.624 2.402 1.00 1.00 C ATOM 506 C LEU X 31 80.035 -3.941 1.664 1.00 1.00 C ATOM 507 O LEU X 31 81.129 -4.469 1.671 1.00 1.00 O ATOM 508 CB LEU X 31 78.964 -2.898 3.666 1.00 1.00 C ATOM 509 CG LEU X 31 79.172 -1.760 4.665 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.598 -1.815 5.214 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.947 -0.419 3.963 1.00 1.00 C ATOM 0 H LEU X 31 78.112 -1.417 1.855 1.00 1.00 H new ATOM 0 HA LEU X 31 80.739 -2.173 2.677 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.907 -2.986 3.414 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.266 -3.846 4.110 1.00 1.00 H new ATOM 0 HG LEU X 31 78.463 -1.865 5.487 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.745 -1.003 5.926 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.759 -2.770 5.714 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.308 -1.711 4.394 1.00 1.00 H new ATOM 0 HD21 LEU X 31 79.095 0.393 4.674 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.655 -0.315 3.141 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.930 -0.379 3.573 1.00 1.00 H new ATOM 523 N LEU X 32 79.030 -4.471 1.022 1.00 1.00 N ATOM 524 CA LEU X 32 79.210 -5.755 0.287 1.00 1.00 C ATOM 525 C LEU X 32 80.222 -5.556 -0.843 1.00 1.00 C ATOM 526 O LEU X 32 81.082 -6.383 -1.071 1.00 1.00 O ATOM 527 CB LEU X 32 77.868 -6.198 -0.300 1.00 1.00 C ATOM 528 CG LEU X 32 76.898 -6.529 0.836 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.525 -6.871 0.252 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.427 -7.728 1.625 1.00 1.00 C ATOM 0 H LEU X 32 78.093 -4.071 0.975 1.00 1.00 H new ATOM 0 HA LEU X 32 79.576 -6.520 0.972 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.455 -5.408 -0.927 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.008 -7.070 -0.938 1.00 1.00 H new ATOM 0 HG LEU X 32 76.808 -5.668 1.498 1.00 1.00 H new ATOM 0 HD11 LEU X 32 74.834 -7.107 1.061 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.147 -6.018 -0.311 1.00 1.00 H new ATOM 0 HD13 LEU X 32 75.616 -7.732 -0.410 1.00 1.00 H new ATOM 0 HD21 LEU X 32 76.736 -7.964 2.434 1.00 1.00 H new ATOM 0 HD22 LEU X 32 77.517 -8.589 0.962 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.405 -7.487 2.041 1.00 1.00 H new ATOM 542 N LYS X 33 80.128 -4.465 -1.551 1.00 1.00 N ATOM 543 CA LYS X 33 81.092 -4.210 -2.659 1.00 1.00 C ATOM 544 C LYS X 33 82.482 -3.948 -2.073 1.00 1.00 C ATOM 545 O LYS X 33 83.487 -4.307 -2.652 1.00 1.00 O ATOM 546 CB LYS X 33 80.637 -2.994 -3.465 1.00 1.00 C ATOM 547 CG LYS X 33 79.332 -3.322 -4.195 1.00 1.00 C ATOM 548 CD LYS X 33 78.846 -2.086 -4.955 1.00 1.00 C ATOM 549 CE LYS X 33 77.541 -2.415 -5.683 1.00 1.00 C ATOM 550 NZ LYS X 33 77.041 -1.196 -6.380 1.00 1.00 N ATOM 0 H LYS X 33 79.426 -3.739 -1.411 1.00 1.00 H new ATOM 0 HA LYS X 33 81.132 -5.080 -3.314 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.491 -2.140 -2.803 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.407 -2.712 -4.184 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.489 -4.149 -4.887 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.574 -3.644 -3.480 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.690 -1.258 -4.263 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.603 -1.765 -5.670 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.706 -3.217 -6.403 1.00 1.00 H new ATOM 0 HE3 LYS X 33 76.796 -2.772 -4.972 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.600 -1.468 -7.282 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.338 -0.718 -5.781 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.836 -0.551 -6.564 1.00 1.00 H new ATOM 564 N PHE X 34 82.545 -3.322 -0.930 1.00 1.00 N ATOM 565 CA PHE X 34 83.869 -3.040 -0.307 1.00 1.00 C ATOM 566 C PHE X 34 84.614 -4.355 -0.076 1.00 1.00 C ATOM 567 O PHE X 34 85.771 -4.493 -0.419 1.00 1.00 O ATOM 568 CB PHE X 34 83.662 -2.330 1.033 1.00 1.00 C ATOM 569 CG PHE X 34 84.981 -2.239 1.763 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.041 -1.515 1.206 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.142 -2.880 2.998 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.264 -1.431 1.884 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.363 -2.796 3.675 1.00 1.00 C ATOM 574 CZ PHE X 34 87.425 -2.072 3.119 1.00 1.00 C ATOM 0 H PHE X 34 81.737 -2.994 -0.401 1.00 1.00 H new ATOM 0 HA PHE X 34 84.454 -2.402 -0.970 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.255 -1.332 0.869 1.00 1.00 H new ATOM 0 HB3 PHE X 34 82.936 -2.875 1.637 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.916 -1.021 0.254 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.324 -3.439 3.427 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.082 -0.872 1.455 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.487 -3.290 4.627 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.368 -2.008 3.642 1.00 1.00 H new ATOM 584 N PHE X 35 83.959 -5.325 0.503 1.00 1.00 N ATOM 585 CA PHE X 35 84.631 -6.631 0.755 1.00 1.00 C ATOM 586 C PHE X 35 85.041 -7.257 -0.579 1.00 1.00 C ATOM 587 O PHE X 35 86.131 -7.774 -0.725 1.00 1.00 O ATOM 588 CB PHE X 35 83.668 -7.571 1.482 1.00 1.00 C ATOM 589 CG PHE X 35 83.458 -7.080 2.895 1.00 1.00 C ATOM 590 CD1 PHE X 35 84.529 -7.063 3.796 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.193 -6.642 3.303 1.00 1.00 C ATOM 592 CE1 PHE X 35 84.336 -6.609 5.106 1.00 1.00 C ATOM 593 CE2 PHE X 35 81.998 -6.189 4.613 1.00 1.00 C ATOM 594 CZ PHE X 35 83.070 -6.172 5.515 1.00 1.00 C ATOM 0 H PHE X 35 82.989 -5.269 0.812 1.00 1.00 H new ATOM 0 HA PHE X 35 85.516 -6.470 1.371 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.715 -7.612 0.954 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.070 -8.584 1.493 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.505 -7.400 3.480 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.367 -6.654 2.607 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.163 -6.596 5.801 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.021 -5.853 4.928 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.920 -5.822 6.526 1.00 1.00 H new ATOM 604 N ASP X 36 84.175 -7.219 -1.554 1.00 1.00 N ATOM 605 CA ASP X 36 84.519 -7.806 -2.879 1.00 1.00 C ATOM 606 C ASP X 36 85.702 -7.042 -3.477 1.00 1.00 C ATOM 607 O ASP X 36 86.612 -7.622 -4.035 1.00 1.00 O ATOM 608 CB ASP X 36 83.314 -7.699 -3.817 1.00 1.00 C ATOM 609 CG ASP X 36 82.235 -8.689 -3.377 1.00 1.00 C ATOM 610 OD1 ASP X 36 82.532 -9.525 -2.539 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.130 -8.595 -3.885 1.00 1.00 O ATOM 0 H ASP X 36 83.244 -6.807 -1.490 1.00 1.00 H new ATOM 0 HA ASP X 36 84.786 -8.856 -2.755 1.00 1.00 H new ATOM 0 HB2 ASP X 36 82.918 -6.684 -3.803 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.618 -7.909 -4.842 1.00 1.00 H new ATOM 616 N PHE X 37 85.695 -5.741 -3.365 1.00 1.00 N ATOM 617 CA PHE X 37 86.820 -4.938 -3.922 1.00 1.00 C ATOM 618 C PHE X 37 88.128 -5.351 -3.244 1.00 1.00 C ATOM 619 O PHE X 37 89.144 -5.521 -3.888 1.00 1.00 O ATOM 620 CB PHE X 37 86.561 -3.451 -3.666 1.00 1.00 C ATOM 621 CG PHE X 37 87.708 -2.638 -4.218 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.702 -2.241 -5.560 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.776 -2.280 -3.386 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.765 -1.486 -6.071 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.838 -1.525 -3.898 1.00 1.00 C ATOM 626 CZ PHE X 37 89.833 -1.128 -5.239 1.00 1.00 C ATOM 0 H PHE X 37 84.959 -5.200 -2.912 1.00 1.00 H new ATOM 0 HA PHE X 37 86.895 -5.115 -4.995 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.626 -3.147 -4.137 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.453 -3.268 -2.597 1.00 1.00 H new ATOM 0 HD1 PHE X 37 86.878 -2.517 -6.201 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.780 -2.586 -2.350 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.761 -1.180 -7.107 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.662 -1.249 -3.257 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.653 -0.545 -5.633 1.00 1.00 H new ATOM 636 N VAL X 38 88.110 -5.518 -1.951 1.00 1.00 N ATOM 637 CA VAL X 38 89.353 -5.921 -1.233 1.00 1.00 C ATOM 638 C VAL X 38 89.886 -7.224 -1.836 1.00 1.00 C ATOM 639 O VAL X 38 91.068 -7.368 -2.076 1.00 1.00 O ATOM 640 CB VAL X 38 89.039 -6.136 0.248 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.281 -6.672 0.960 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.625 -4.804 0.877 1.00 1.00 C ATOM 0 H VAL X 38 87.288 -5.393 -1.360 1.00 1.00 H new ATOM 0 HA VAL X 38 90.104 -5.137 -1.334 1.00 1.00 H new ATOM 0 HB VAL X 38 88.226 -6.855 0.348 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.057 -6.825 2.016 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.578 -7.620 0.511 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.095 -5.954 0.862 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.401 -4.954 1.933 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.439 -4.086 0.778 1.00 1.00 H new ATOM 0 HG23 VAL X 38 87.740 -4.421 0.369 1.00 1.00 H new ATOM 652 N LYS X 39 89.026 -8.175 -2.081 1.00 1.00 N ATOM 653 CA LYS X 39 89.483 -9.454 -2.691 1.00 1.00 C ATOM 654 C LYS X 39 90.022 -9.181 -4.098 1.00 1.00 C ATOM 655 O LYS X 39 90.971 -9.793 -4.542 1.00 1.00 O ATOM 656 CB LYS X 39 88.307 -10.429 -2.776 1.00 1.00 C ATOM 657 CG LYS X 39 87.889 -10.848 -1.366 1.00 1.00 C ATOM 658 CD LYS X 39 86.723 -11.834 -1.449 1.00 1.00 C ATOM 659 CE LYS X 39 86.307 -12.256 -0.039 1.00 1.00 C ATOM 660 NZ LYS X 39 85.092 -13.117 -0.115 1.00 1.00 N ATOM 0 H LYS X 39 88.027 -8.121 -1.885 1.00 1.00 H new ATOM 0 HA LYS X 39 90.271 -9.890 -2.076 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.469 -9.960 -3.291 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.589 -11.306 -3.359 1.00 1.00 H new ATOM 0 HG2 LYS X 39 88.731 -11.307 -0.848 1.00 1.00 H new ATOM 0 HG3 LYS X 39 87.597 -9.972 -0.787 1.00 1.00 H new ATOM 0 HD2 LYS X 39 85.880 -11.374 -1.965 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.014 -12.709 -2.030 1.00 1.00 H new ATOM 0 HE2 LYS X 39 87.120 -12.798 0.444 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.104 -11.375 0.571 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 84.809 -13.404 0.844 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 84.317 -12.585 -0.560 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 85.301 -13.963 -0.682 1.00 1.00 H new ATOM 674 N ASP X 40 89.421 -8.270 -4.804 1.00 1.00 N ATOM 675 CA ASP X 40 89.887 -7.942 -6.181 1.00 1.00 C ATOM 676 C ASP X 40 91.257 -7.263 -6.111 1.00 1.00 C ATOM 677 O ASP X 40 91.984 -7.208 -7.082 1.00 1.00 O ATOM 678 CB ASP X 40 88.882 -7.022 -6.863 1.00 1.00 C ATOM 679 CG ASP X 40 87.603 -7.801 -7.178 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.656 -9.020 -7.157 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.593 -7.166 -7.432 1.00 1.00 O ATOM 0 H ASP X 40 88.617 -7.731 -4.484 1.00 1.00 H new ATOM 0 HA ASP X 40 89.973 -8.861 -6.761 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.654 -6.174 -6.217 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.309 -6.618 -7.781 1.00 1.00 H new ATOM 686 N THR X 41 91.601 -6.714 -4.976 1.00 1.00 N ATOM 687 CA THR X 41 92.897 -5.990 -4.871 1.00 1.00 C ATOM 688 C THR X 41 94.038 -6.905 -5.317 1.00 1.00 C ATOM 689 O THR X 41 94.823 -6.553 -6.177 1.00 1.00 O ATOM 690 CB THR X 41 93.128 -5.576 -3.409 1.00 1.00 C ATOM 691 OG1 THR X 41 91.935 -5.010 -2.885 1.00 1.00 O ATOM 692 CG2 THR X 41 94.255 -4.544 -3.343 1.00 1.00 C ATOM 0 H THR X 41 91.043 -6.736 -4.123 1.00 1.00 H new ATOM 0 HA THR X 41 92.869 -5.107 -5.509 1.00 1.00 H new ATOM 0 HB THR X 41 93.404 -6.452 -2.822 1.00 1.00 H new ATOM 0 HG1 THR X 41 92.121 -4.604 -2.013 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.419 -4.250 -2.306 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.170 -4.978 -3.746 1.00 1.00 H new ATOM 0 HG23 THR X 41 93.980 -3.667 -3.929 1.00 1.00 H new ATOM 700 N CYS X 42 94.130 -8.077 -4.756 1.00 1.00 N ATOM 701 CA CYS X 42 95.234 -9.001 -5.133 1.00 1.00 C ATOM 702 C CYS X 42 94.669 -10.213 -5.870 1.00 1.00 C ATOM 703 O CYS X 42 94.956 -10.435 -7.030 1.00 1.00 O ATOM 704 CB CYS X 42 95.963 -9.468 -3.868 1.00 1.00 C ATOM 705 SG CYS X 42 97.523 -8.573 -3.699 1.00 1.00 S ATOM 0 H CYS X 42 93.486 -8.436 -4.051 1.00 1.00 H new ATOM 0 HA CYS X 42 95.932 -8.477 -5.786 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.338 -9.297 -2.992 1.00 1.00 H new ATOM 0 HB3 CYS X 42 96.152 -10.540 -3.920 1.00 1.00 H new ATOM 0 HG CYS X 42 98.137 -8.970 -2.624 1.00 1.00 H new ATOM 711 N PRO X 43 93.850 -10.979 -5.201 1.00 1.00 N ATOM 712 CA PRO X 43 93.245 -12.211 -5.785 1.00 1.00 C ATOM 713 C PRO X 43 92.780 -11.995 -7.229 1.00 1.00 C ATOM 714 O PRO X 43 92.940 -12.858 -8.073 1.00 1.00 O ATOM 715 CB PRO X 43 92.038 -12.473 -4.877 1.00 1.00 C ATOM 716 CG PRO X 43 92.392 -11.865 -3.557 1.00 1.00 C ATOM 717 CD PRO X 43 93.440 -10.773 -3.807 1.00 1.00 C ATOM 0 HA PRO X 43 93.956 -13.036 -5.828 1.00 1.00 H new ATOM 0 HB2 PRO X 43 91.134 -12.023 -5.287 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.846 -13.541 -4.778 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.507 -11.443 -3.082 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.785 -12.624 -2.881 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.021 -9.778 -3.658 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.285 -10.869 -3.125 1.00 1.00 H new ATOM 725 N TRP X 44 92.224 -10.854 -7.525 1.00 1.00 N ATOM 726 CA TRP X 44 91.772 -10.582 -8.920 1.00 1.00 C ATOM 727 C TRP X 44 91.972 -9.099 -9.240 1.00 1.00 C ATOM 728 O TRP X 44 92.905 -8.473 -8.778 1.00 1.00 O ATOM 729 CB TRP X 44 90.289 -10.935 -9.049 1.00 1.00 C ATOM 730 CG TRP X 44 90.086 -12.369 -8.679 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.679 -13.421 -9.290 1.00 1.00 C ATOM 732 CD2 TRP X 44 89.244 -12.927 -7.629 1.00 1.00 C ATOM 733 NE1 TRP X 44 90.255 -14.588 -8.680 1.00 1.00 N ATOM 734 CE2 TRP X 44 89.370 -14.336 -7.651 1.00 1.00 C ATOM 735 CE3 TRP X 44 88.392 -12.350 -6.669 1.00 1.00 C ATOM 736 CZ2 TRP X 44 88.673 -15.145 -6.753 1.00 1.00 C ATOM 737 CZ3 TRP X 44 87.690 -13.163 -5.764 1.00 1.00 C ATOM 738 CH2 TRP X 44 87.831 -14.558 -5.805 1.00 1.00 C ATOM 0 H TRP X 44 92.062 -10.096 -6.861 1.00 1.00 H new ATOM 0 HA TRP X 44 92.353 -11.186 -9.617 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.693 -10.293 -8.400 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.950 -10.760 -10.070 1.00 1.00 H new ATOM 0 HD1 TRP X 44 91.370 -13.360 -10.118 1.00 1.00 H new ATOM 0 HE1 TRP X 44 90.559 -15.521 -8.957 1.00 1.00 H new ATOM 0 HE3 TRP X 44 88.277 -11.277 -6.628 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 88.784 -16.219 -6.790 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 87.037 -12.711 -5.032 1.00 1.00 H new ATOM 0 HH2 TRP X 44 87.290 -15.177 -5.105 1.00 1.00 H new ATOM 749 N PHE X 45 91.103 -8.532 -10.032 1.00 1.00 N ATOM 750 CA PHE X 45 91.234 -7.089 -10.379 1.00 1.00 C ATOM 751 C PHE X 45 90.175 -6.704 -11.418 1.00 1.00 C ATOM 752 O PHE X 45 89.527 -5.682 -11.304 1.00 1.00 O ATOM 753 CB PHE X 45 92.628 -6.823 -10.953 1.00 1.00 C ATOM 754 CG PHE X 45 93.358 -5.838 -10.074 1.00 1.00 C ATOM 755 CD1 PHE X 45 92.834 -4.556 -9.874 1.00 1.00 C ATOM 756 CD2 PHE X 45 94.560 -6.208 -9.457 1.00 1.00 C ATOM 757 CE1 PHE X 45 93.512 -3.643 -9.057 1.00 1.00 C ATOM 758 CE2 PHE X 45 95.237 -5.294 -8.641 1.00 1.00 C ATOM 759 CZ PHE X 45 94.713 -4.012 -8.441 1.00 1.00 C ATOM 0 H PHE X 45 90.306 -9.008 -10.455 1.00 1.00 H new ATOM 0 HA PHE X 45 91.089 -6.492 -9.479 1.00 1.00 H new ATOM 0 HB2 PHE X 45 93.190 -7.755 -11.017 1.00 1.00 H new ATOM 0 HB3 PHE X 45 92.546 -6.430 -11.966 1.00 1.00 H new ATOM 0 HD1 PHE X 45 91.907 -4.271 -10.350 1.00 1.00 H new ATOM 0 HD2 PHE X 45 94.964 -7.198 -9.611 1.00 1.00 H new ATOM 0 HE1 PHE X 45 93.108 -2.654 -8.902 1.00 1.00 H new ATOM 0 HE2 PHE X 45 96.164 -5.578 -8.166 1.00 1.00 H new ATOM 0 HZ PHE X 45 95.236 -3.307 -7.811 1.00 1.00 H new ATOM 769 N PRO X 46 90.010 -7.515 -12.426 1.00 1.00 N ATOM 770 CA PRO X 46 89.027 -7.256 -13.520 1.00 1.00 C ATOM 771 C PRO X 46 87.608 -7.035 -12.989 1.00 1.00 C ATOM 772 O PRO X 46 86.848 -6.256 -13.528 1.00 1.00 O ATOM 773 CB PRO X 46 89.084 -8.519 -14.386 1.00 1.00 C ATOM 774 CG PRO X 46 90.399 -9.158 -14.085 1.00 1.00 C ATOM 775 CD PRO X 46 90.738 -8.775 -12.635 1.00 1.00 C ATOM 0 HA PRO X 46 89.274 -6.347 -14.068 1.00 1.00 H new ATOM 0 HB2 PRO X 46 88.259 -9.192 -14.151 1.00 1.00 H new ATOM 0 HB3 PRO X 46 89.002 -8.272 -15.444 1.00 1.00 H new ATOM 0 HG2 PRO X 46 90.341 -10.241 -14.199 1.00 1.00 H new ATOM 0 HG3 PRO X 46 91.169 -8.806 -14.771 1.00 1.00 H new ATOM 0 HD2 PRO X 46 90.417 -9.544 -11.933 1.00 1.00 H new ATOM 0 HD3 PRO X 46 91.811 -8.645 -12.496 1.00 1.00 H new ATOM 783 N GLN X 47 87.244 -7.718 -11.938 1.00 1.00 N ATOM 784 CA GLN X 47 85.876 -7.545 -11.374 1.00 1.00 C ATOM 785 C GLN X 47 85.698 -6.105 -10.886 1.00 1.00 C ATOM 786 O GLN X 47 86.461 -5.614 -10.080 1.00 1.00 O ATOM 787 CB GLN X 47 85.685 -8.508 -10.200 1.00 1.00 C ATOM 788 CG GLN X 47 85.675 -9.947 -10.718 1.00 1.00 C ATOM 789 CD GLN X 47 85.474 -10.910 -9.547 1.00 1.00 C ATOM 790 OE1 GLN X 47 85.272 -10.488 -8.426 1.00 1.00 O ATOM 791 NE2 GLN X 47 85.521 -12.197 -9.761 1.00 1.00 N ATOM 0 H GLN X 47 87.835 -8.388 -11.446 1.00 1.00 H new ATOM 0 HA GLN X 47 85.137 -7.758 -12.146 1.00 1.00 H new ATOM 0 HB2 GLN X 47 86.487 -8.377 -9.474 1.00 1.00 H new ATOM 0 HB3 GLN X 47 84.750 -8.289 -9.685 1.00 1.00 H new ATOM 0 HG2 GLN X 47 84.877 -10.076 -11.449 1.00 1.00 H new ATOM 0 HG3 GLN X 47 86.613 -10.168 -11.227 1.00 1.00 H new ATOM 0 HE21 GLN X 47 85.691 -12.552 -10.702 1.00 1.00 H new ATOM 0 HE22 GLN X 47 85.388 -12.848 -8.987 1.00 1.00 H new ATOM 800 N GLU X 48 84.697 -5.422 -11.373 1.00 1.00 N ATOM 801 CA GLU X 48 84.470 -4.014 -10.937 1.00 1.00 C ATOM 802 C GLU X 48 82.976 -3.780 -10.703 1.00 1.00 C ATOM 803 O GLU X 48 82.137 -4.499 -11.209 1.00 1.00 O ATOM 804 CB GLU X 48 84.972 -3.058 -12.020 1.00 1.00 C ATOM 805 CG GLU X 48 86.496 -3.145 -12.111 1.00 1.00 C ATOM 806 CD GLU X 48 87.120 -2.548 -10.848 1.00 1.00 C ATOM 807 OE1 GLU X 48 86.384 -1.974 -10.063 1.00 1.00 O ATOM 808 OE2 GLU X 48 88.323 -2.676 -10.687 1.00 1.00 O ATOM 0 H GLU X 48 84.027 -5.778 -12.054 1.00 1.00 H new ATOM 0 HA GLU X 48 85.013 -3.832 -10.009 1.00 1.00 H new ATOM 0 HB2 GLU X 48 84.525 -3.313 -12.981 1.00 1.00 H new ATOM 0 HB3 GLU X 48 84.669 -2.037 -11.788 1.00 1.00 H new ATOM 0 HG2 GLU X 48 86.805 -4.184 -12.225 1.00 1.00 H new ATOM 0 HG3 GLU X 48 86.849 -2.609 -12.992 1.00 1.00 H new ATOM 815 N GLY X 49 82.637 -2.780 -9.934 1.00 1.00 N ATOM 816 CA GLY X 49 81.197 -2.504 -9.662 1.00 1.00 C ATOM 817 C GLY X 49 81.014 -1.032 -9.285 1.00 1.00 C ATOM 818 O GLY X 49 81.959 -0.346 -8.951 1.00 1.00 O ATOM 0 H GLY X 49 83.294 -2.143 -9.483 1.00 1.00 H new ATOM 0 HA2 GLY X 49 80.599 -2.741 -10.542 1.00 1.00 H new ATOM 0 HA3 GLY X 49 80.841 -3.143 -8.854 1.00 1.00 H new ATOM 822 N THR X 50 79.806 -0.541 -9.334 1.00 1.00 N ATOM 823 CA THR X 50 79.573 0.888 -8.979 1.00 1.00 C ATOM 824 C THR X 50 79.941 1.112 -7.511 1.00 1.00 C ATOM 825 O THR X 50 79.665 0.289 -6.661 1.00 1.00 O ATOM 826 CB THR X 50 78.098 1.235 -9.194 1.00 1.00 C ATOM 827 OG1 THR X 50 77.679 0.746 -10.461 1.00 1.00 O ATOM 828 CG2 THR X 50 77.916 2.752 -9.146 1.00 1.00 C ATOM 0 H THR X 50 78.973 -1.065 -9.603 1.00 1.00 H new ATOM 0 HA THR X 50 80.190 1.526 -9.612 1.00 1.00 H new ATOM 0 HB THR X 50 77.498 0.775 -8.409 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.734 0.966 -10.600 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.865 2.997 -9.299 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.238 3.127 -8.174 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.515 3.215 -9.930 1.00 1.00 H new ATOM 836 N ILE X 51 80.561 2.219 -7.207 1.00 1.00 N ATOM 837 CA ILE X 51 80.941 2.495 -5.793 1.00 1.00 C ATOM 838 C ILE X 51 80.469 3.900 -5.406 1.00 1.00 C ATOM 839 O ILE X 51 80.648 4.850 -6.141 1.00 1.00 O ATOM 840 CB ILE X 51 82.460 2.404 -5.648 1.00 1.00 C ATOM 841 CG1 ILE X 51 82.808 1.874 -4.255 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.076 3.793 -5.831 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.137 2.745 -3.192 1.00 1.00 C ATOM 0 H ILE X 51 80.821 2.944 -7.876 1.00 1.00 H new ATOM 0 HA ILE X 51 80.472 1.762 -5.137 1.00 1.00 H new ATOM 0 HB ILE X 51 82.856 1.728 -6.406 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.477 0.840 -4.155 1.00 1.00 H new ATOM 0 HG13 ILE X 51 83.889 1.877 -4.113 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.159 3.727 -5.727 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.829 4.173 -6.822 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.680 4.469 -5.074 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.386 2.366 -2.201 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.490 3.772 -3.287 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.056 2.719 -3.329 1.00 1.00 H new ATOM 855 N ASP X 52 79.875 4.040 -4.253 1.00 1.00 N ATOM 856 CA ASP X 52 79.388 5.379 -3.817 1.00 1.00 C ATOM 857 C ASP X 52 80.576 6.263 -3.433 1.00 1.00 C ATOM 858 O ASP X 52 81.474 5.839 -2.734 1.00 1.00 O ATOM 859 CB ASP X 52 78.460 5.216 -2.611 1.00 1.00 C ATOM 860 CG ASP X 52 77.869 6.576 -2.234 1.00 1.00 C ATOM 861 OD1 ASP X 52 78.446 7.579 -2.618 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.847 6.590 -1.567 1.00 1.00 O ATOM 0 H ASP X 52 79.705 3.282 -3.592 1.00 1.00 H new ATOM 0 HA ASP X 52 78.843 5.848 -4.636 1.00 1.00 H new ATOM 0 HB2 ASP X 52 77.661 4.513 -2.846 1.00 1.00 H new ATOM 0 HB3 ASP X 52 79.012 4.801 -1.768 1.00 1.00 H new ATOM 867 N ILE X 53 80.590 7.488 -3.881 1.00 1.00 N ATOM 868 CA ILE X 53 81.727 8.390 -3.542 1.00 1.00 C ATOM 869 C ILE X 53 81.755 8.633 -2.032 1.00 1.00 C ATOM 870 O ILE X 53 82.794 8.871 -1.451 1.00 1.00 O ATOM 871 CB ILE X 53 81.554 9.726 -4.271 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.513 9.482 -5.782 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.729 10.647 -3.937 1.00 1.00 C ATOM 874 CD1 ILE X 53 81.047 10.753 -6.492 1.00 1.00 C ATOM 0 H ILE X 53 79.865 7.903 -4.466 1.00 1.00 H new ATOM 0 HA ILE X 53 82.663 7.925 -3.852 1.00 1.00 H new ATOM 0 HB ILE X 53 80.623 10.194 -3.952 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.501 9.194 -6.141 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.838 8.657 -6.010 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.605 11.597 -4.456 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.760 10.822 -2.862 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.660 10.178 -4.255 1.00 1.00 H new ATOM 0 HD11 ILE X 53 81.018 10.579 -7.568 1.00 1.00 H new ATOM 0 HD12 ILE X 53 80.051 11.022 -6.141 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.740 11.566 -6.275 1.00 1.00 H new ATOM 886 N LYS X 54 80.620 8.580 -1.392 1.00 1.00 N ATOM 887 CA LYS X 54 80.582 8.818 0.078 1.00 1.00 C ATOM 888 C LYS X 54 81.366 7.717 0.794 1.00 1.00 C ATOM 889 O LYS X 54 82.080 7.967 1.745 1.00 1.00 O ATOM 890 CB LYS X 54 79.130 8.811 0.562 1.00 1.00 C ATOM 891 CG LYS X 54 78.418 10.067 0.059 1.00 1.00 C ATOM 892 CD LYS X 54 76.962 10.049 0.528 1.00 1.00 C ATOM 893 CE LYS X 54 76.241 11.292 0.003 1.00 1.00 C ATOM 894 NZ LYS X 54 76.893 12.514 0.552 1.00 1.00 N ATOM 0 H LYS X 54 79.717 8.382 -1.823 1.00 1.00 H new ATOM 0 HA LYS X 54 81.031 9.786 0.300 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.619 7.920 0.198 1.00 1.00 H new ATOM 0 HB3 LYS X 54 79.099 8.774 1.651 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.921 10.958 0.434 1.00 1.00 H new ATOM 0 HG3 LYS X 54 78.460 10.111 -1.029 1.00 1.00 H new ATOM 0 HD2 LYS X 54 76.464 9.148 0.169 1.00 1.00 H new ATOM 0 HD3 LYS X 54 76.920 10.024 1.617 1.00 1.00 H new ATOM 0 HE2 LYS X 54 76.270 11.310 -1.086 1.00 1.00 H new ATOM 0 HE3 LYS X 54 75.191 11.266 0.293 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 76.179 13.108 1.019 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 77.620 12.239 1.243 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 77.336 13.049 -0.222 1.00 1.00 H new ATOM 908 N PHE X 55 81.238 6.498 0.344 1.00 1.00 N ATOM 909 CA PHE X 55 81.966 5.380 1.006 1.00 1.00 C ATOM 910 C PHE X 55 83.435 5.406 0.582 1.00 1.00 C ATOM 911 O PHE X 55 84.296 4.889 1.265 1.00 1.00 O ATOM 912 CB PHE X 55 81.336 4.045 0.596 1.00 1.00 C ATOM 913 CG PHE X 55 81.898 2.933 1.447 1.00 1.00 C ATOM 914 CD1 PHE X 55 81.309 2.631 2.681 1.00 1.00 C ATOM 915 CD2 PHE X 55 83.009 2.205 1.004 1.00 1.00 C ATOM 916 CE1 PHE X 55 81.829 1.599 3.471 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.529 1.172 1.795 1.00 1.00 C ATOM 918 CZ PHE X 55 82.939 0.870 3.028 1.00 1.00 C ATOM 0 H PHE X 55 80.661 6.229 -0.453 1.00 1.00 H new ATOM 0 HA PHE X 55 81.900 5.493 2.088 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.253 4.092 0.712 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.536 3.846 -0.457 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.453 3.194 3.023 1.00 1.00 H new ATOM 0 HD2 PHE X 55 83.465 2.440 0.053 1.00 1.00 H new ATOM 0 HE1 PHE X 55 81.374 1.365 4.422 1.00 1.00 H new ATOM 0 HE2 PHE X 55 84.385 0.609 1.453 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.340 0.074 3.638 1.00 1.00 H new ATOM 928 N TRP X 56 83.732 6.006 -0.539 1.00 1.00 N ATOM 929 CA TRP X 56 85.146 6.050 -1.002 1.00 1.00 C ATOM 930 C TRP X 56 86.025 6.676 0.082 1.00 1.00 C ATOM 931 O TRP X 56 87.148 6.264 0.298 1.00 1.00 O ATOM 932 CB TRP X 56 85.238 6.889 -2.279 1.00 1.00 C ATOM 933 CG TRP X 56 86.673 7.185 -2.577 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.676 6.279 -2.541 1.00 1.00 C ATOM 935 CD2 TRP X 56 87.279 8.454 -2.958 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.860 6.911 -2.875 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.667 8.253 -3.140 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.764 9.747 -3.159 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.515 9.297 -3.510 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.615 10.801 -3.531 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.988 10.576 -3.706 1.00 1.00 C ATOM 0 H TRP X 56 83.058 6.466 -1.151 1.00 1.00 H new ATOM 0 HA TRP X 56 85.490 5.036 -1.205 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.785 6.353 -3.113 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.681 7.818 -2.158 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.570 5.233 -2.292 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.765 6.443 -2.920 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.708 9.931 -3.027 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.572 9.118 -3.644 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 87.209 11.790 -3.683 1.00 1.00 H new ATOM 0 HH2 TRP X 56 89.637 11.390 -3.992 1.00 1.00 H new ATOM 952 N ARG X 57 85.525 7.668 0.767 1.00 1.00 N ATOM 953 CA ARG X 57 86.345 8.330 1.820 1.00 1.00 C ATOM 954 C ARG X 57 86.775 7.292 2.859 1.00 1.00 C ATOM 955 O ARG X 57 87.885 7.321 3.354 1.00 1.00 O ATOM 956 CB ARG X 57 85.515 9.420 2.501 1.00 1.00 C ATOM 957 CG ARG X 57 84.899 10.334 1.438 1.00 1.00 C ATOM 958 CD ARG X 57 86.013 10.993 0.624 1.00 1.00 C ATOM 959 NE ARG X 57 85.549 12.321 0.131 1.00 1.00 N ATOM 960 CZ ARG X 57 84.728 12.392 -0.882 1.00 1.00 C ATOM 961 NH1 ARG X 57 84.309 11.301 -1.460 1.00 1.00 N ATOM 962 NH2 ARG X 57 84.326 13.555 -1.314 1.00 1.00 N ATOM 0 H ARG X 57 84.586 8.048 0.643 1.00 1.00 H new ATOM 0 HA ARG X 57 87.229 8.777 1.366 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.729 8.968 3.107 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.143 10.002 3.176 1.00 1.00 H new ATOM 0 HG2 ARG X 57 84.247 9.758 0.782 1.00 1.00 H new ATOM 0 HG3 ARG X 57 84.281 11.096 1.912 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.905 11.113 1.239 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.289 10.357 -0.217 1.00 1.00 H new ATOM 0 HE ARG X 57 85.873 13.175 0.585 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.622 10.392 -1.121 1.00 1.00 H new ATOM 0 HH12 ARG X 57 83.668 11.357 -2.251 1.00 1.00 H new ATOM 0 HH21 ARG X 57 84.653 14.408 -0.861 1.00 1.00 H new ATOM 0 HH22 ARG X 57 83.685 13.611 -2.105 1.00 1.00 H new ATOM 976 N ARG X 58 85.909 6.377 3.194 1.00 1.00 N ATOM 977 CA ARG X 58 86.272 5.343 4.203 1.00 1.00 C ATOM 978 C ARG X 58 87.330 4.408 3.617 1.00 1.00 C ATOM 979 O ARG X 58 88.254 3.999 4.292 1.00 1.00 O ATOM 980 CB ARG X 58 85.026 4.536 4.574 1.00 1.00 C ATOM 981 CG ARG X 58 83.969 5.470 5.167 1.00 1.00 C ATOM 982 CD ARG X 58 84.415 5.935 6.554 1.00 1.00 C ATOM 983 NE ARG X 58 83.251 6.516 7.281 1.00 1.00 N ATOM 984 CZ ARG X 58 82.922 7.764 7.095 1.00 1.00 C ATOM 985 NH1 ARG X 58 83.612 8.506 6.272 1.00 1.00 N ATOM 986 NH2 ARG X 58 81.903 8.272 7.732 1.00 1.00 N ATOM 0 H ARG X 58 84.966 6.300 2.813 1.00 1.00 H new ATOM 0 HA ARG X 58 86.671 5.828 5.094 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.629 4.034 3.692 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.284 3.759 5.293 1.00 1.00 H new ATOM 0 HG2 ARG X 58 83.822 6.330 4.514 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.011 4.954 5.236 1.00 1.00 H new ATOM 0 HD2 ARG X 58 84.826 5.096 7.116 1.00 1.00 H new ATOM 0 HD3 ARG X 58 85.208 6.677 6.463 1.00 1.00 H new ATOM 0 HE ARG X 58 82.711 5.937 7.924 1.00 1.00 H new ATOM 0 HH11 ARG X 58 84.409 8.110 5.774 1.00 1.00 H new ATOM 0 HH12 ARG X 58 83.354 9.482 6.127 1.00 1.00 H new ATOM 0 HH21 ARG X 58 81.364 7.693 8.376 1.00 1.00 H new ATOM 0 HH22 ARG X 58 81.646 9.248 7.586 1.00 1.00 H new ATOM 1000 N VAL X 59 87.202 4.063 2.365 1.00 1.00 N ATOM 1001 CA VAL X 59 88.200 3.152 1.738 1.00 1.00 C ATOM 1002 C VAL X 59 89.560 3.849 1.679 1.00 1.00 C ATOM 1003 O VAL X 59 90.580 3.268 1.988 1.00 1.00 O ATOM 1004 CB VAL X 59 87.746 2.796 0.320 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.883 2.087 -0.418 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.529 1.870 0.392 1.00 1.00 C ATOM 0 H VAL X 59 86.450 4.373 1.750 1.00 1.00 H new ATOM 0 HA VAL X 59 88.284 2.242 2.331 1.00 1.00 H new ATOM 0 HB VAL X 59 87.479 3.707 -0.215 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.559 1.834 -1.428 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.750 2.746 -0.469 1.00 1.00 H new ATOM 0 HG13 VAL X 59 89.151 1.176 0.116 1.00 1.00 H new ATOM 0 HG21 VAL X 59 86.205 1.616 -0.617 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.796 0.959 0.927 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.718 2.375 0.917 1.00 1.00 H new ATOM 1016 N GLY X 60 89.580 5.093 1.285 1.00 1.00 N ATOM 1017 CA GLY X 60 90.875 5.824 1.196 1.00 1.00 C ATOM 1018 C GLY X 60 91.585 5.776 2.549 1.00 1.00 C ATOM 1019 O GLY X 60 92.758 5.465 2.634 1.00 1.00 O ATOM 0 H GLY X 60 88.756 5.634 1.021 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.505 5.376 0.427 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.700 6.859 0.902 1.00 1.00 H new ATOM 1023 N ASP X 61 90.887 6.075 3.609 1.00 1.00 N ATOM 1024 CA ASP X 61 91.526 6.048 4.954 1.00 1.00 C ATOM 1025 C ASP X 61 91.894 4.607 5.314 1.00 1.00 C ATOM 1026 O ASP X 61 92.913 4.349 5.925 1.00 1.00 O ATOM 1027 CB ASP X 61 90.548 6.599 5.994 1.00 1.00 C ATOM 1028 CG ASP X 61 90.636 8.128 6.020 1.00 1.00 C ATOM 1029 OD1 ASP X 61 91.454 8.665 5.292 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.884 8.733 6.765 1.00 1.00 O ATOM 0 H ASP X 61 89.901 6.337 3.602 1.00 1.00 H new ATOM 0 HA ASP X 61 92.427 6.661 4.941 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.532 6.287 5.754 1.00 1.00 H new ATOM 0 HB3 ASP X 61 90.782 6.194 6.979 1.00 1.00 H new ATOM 1035 N CYS X 62 91.070 3.665 4.943 1.00 1.00 N ATOM 1036 CA CYS X 62 91.366 2.244 5.282 1.00 1.00 C ATOM 1037 C CYS X 62 92.596 1.775 4.505 1.00 1.00 C ATOM 1038 O CYS X 62 93.530 1.242 5.068 1.00 1.00 O ATOM 1039 CB CYS X 62 90.164 1.372 4.908 1.00 1.00 C ATOM 1040 SG CYS X 62 88.731 1.862 5.899 1.00 1.00 S ATOM 0 H CYS X 62 90.207 3.817 4.421 1.00 1.00 H new ATOM 0 HA CYS X 62 91.561 2.160 6.351 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.939 1.479 3.847 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.396 0.321 5.080 1.00 1.00 H new ATOM 0 HG CYS X 62 88.151 2.886 5.346 1.00 1.00 H new ATOM 1046 N PHE X 63 92.607 1.973 3.215 1.00 1.00 N ATOM 1047 CA PHE X 63 93.776 1.533 2.402 1.00 1.00 C ATOM 1048 C PHE X 63 95.022 2.302 2.845 1.00 1.00 C ATOM 1049 O PHE X 63 96.098 1.748 2.955 1.00 1.00 O ATOM 1050 CB PHE X 63 93.502 1.808 0.923 1.00 1.00 C ATOM 1051 CG PHE X 63 92.856 0.597 0.295 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.791 -0.043 0.941 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.321 0.113 -0.932 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.192 -1.167 0.360 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.722 -1.011 -1.515 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.658 -1.650 -0.869 1.00 1.00 C ATOM 0 H PHE X 63 91.857 2.421 2.689 1.00 1.00 H new ATOM 0 HA PHE X 63 93.939 0.465 2.546 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.851 2.676 0.818 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.433 2.044 0.408 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.431 0.331 1.888 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.142 0.606 -1.430 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.371 -1.661 0.859 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.081 -1.384 -2.463 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.196 -2.516 -1.319 1.00 1.00 H new ATOM 1066 N GLN X 64 94.886 3.574 3.099 1.00 1.00 N ATOM 1067 CA GLN X 64 96.061 4.376 3.541 1.00 1.00 C ATOM 1068 C GLN X 64 96.611 3.797 4.847 1.00 1.00 C ATOM 1069 O GLN X 64 97.806 3.739 5.057 1.00 1.00 O ATOM 1070 CB GLN X 64 95.633 5.826 3.768 1.00 1.00 C ATOM 1071 CG GLN X 64 96.860 6.673 4.115 1.00 1.00 C ATOM 1072 CD GLN X 64 96.455 8.146 4.209 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.417 8.470 4.750 1.00 1.00 O ATOM 1074 NE2 GLN X 64 97.236 9.059 3.700 1.00 1.00 N ATOM 0 H GLN X 64 94.011 4.093 3.020 1.00 1.00 H new ATOM 0 HA GLN X 64 96.834 4.341 2.773 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.149 6.218 2.873 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.902 5.878 4.575 1.00 1.00 H new ATOM 0 HG2 GLN X 64 97.288 6.342 5.061 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.630 6.545 3.355 1.00 1.00 H new ATOM 0 HE21 GLN X 64 98.108 8.788 3.245 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.974 10.043 3.757 1.00 1.00 H new ATOM 1083 N ASP X 65 95.748 3.368 5.726 1.00 1.00 N ATOM 1084 CA ASP X 65 96.226 2.791 7.013 1.00 1.00 C ATOM 1085 C ASP X 65 97.086 1.560 6.728 1.00 1.00 C ATOM 1086 O ASP X 65 98.140 1.378 7.306 1.00 1.00 O ATOM 1087 CB ASP X 65 95.022 2.386 7.869 1.00 1.00 C ATOM 1088 CG ASP X 65 94.357 3.640 8.441 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.976 4.690 8.392 1.00 1.00 O ATOM 1090 OD2 ASP X 65 93.240 3.528 8.921 1.00 1.00 O ATOM 0 H ASP X 65 94.735 3.392 5.609 1.00 1.00 H new ATOM 0 HA ASP X 65 96.818 3.533 7.548 1.00 1.00 H new ATOM 0 HB2 ASP X 65 94.307 1.825 7.267 1.00 1.00 H new ATOM 0 HB3 ASP X 65 95.342 1.730 8.678 1.00 1.00 H new ATOM 1095 N TYR X 66 96.646 0.712 5.839 1.00 1.00 N ATOM 1096 CA TYR X 66 97.438 -0.508 5.515 1.00 1.00 C ATOM 1097 C TYR X 66 98.765 -0.099 4.875 1.00 1.00 C ATOM 1098 O TYR X 66 99.793 -0.698 5.118 1.00 1.00 O ATOM 1099 CB TYR X 66 96.650 -1.385 4.541 1.00 1.00 C ATOM 1100 CG TYR X 66 95.550 -2.106 5.286 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.869 -3.144 6.168 1.00 1.00 C ATOM 1102 CD2 TYR X 66 94.213 -1.736 5.093 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.851 -3.812 6.859 1.00 1.00 C ATOM 1104 CE2 TYR X 66 93.196 -2.405 5.784 1.00 1.00 C ATOM 1105 CZ TYR X 66 93.515 -3.443 6.667 1.00 1.00 C ATOM 1106 OH TYR X 66 92.512 -4.103 7.349 1.00 1.00 O ATOM 0 H TYR X 66 95.772 0.811 5.323 1.00 1.00 H new ATOM 0 HA TYR X 66 97.633 -1.068 6.430 1.00 1.00 H new ATOM 0 HB2 TYR X 66 96.224 -0.772 3.747 1.00 1.00 H new ATOM 0 HB3 TYR X 66 97.315 -2.106 4.066 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.900 -3.430 6.316 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.967 -0.935 4.412 1.00 1.00 H new ATOM 0 HE1 TYR X 66 95.097 -4.613 7.541 1.00 1.00 H new ATOM 0 HE2 TYR X 66 92.165 -2.120 5.636 1.00 1.00 H new ATOM 0 HH TYR X 66 91.643 -3.723 7.102 1.00 1.00 H new ATOM 1116 N TYR X 67 98.750 0.917 4.056 1.00 1.00 N ATOM 1117 CA TYR X 67 100.012 1.362 3.405 1.00 1.00 C ATOM 1118 C TYR X 67 101.025 1.768 4.477 1.00 1.00 C ATOM 1119 O TYR X 67 102.137 1.281 4.510 1.00 1.00 O ATOM 1120 CB TYR X 67 99.722 2.563 2.501 1.00 1.00 C ATOM 1121 CG TYR X 67 100.979 3.383 2.336 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.955 2.992 1.412 1.00 1.00 C ATOM 1123 CD2 TYR X 67 101.168 4.535 3.108 1.00 1.00 C ATOM 1124 CE1 TYR X 67 103.120 3.753 1.260 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.333 5.297 2.956 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.309 4.906 2.032 1.00 1.00 C ATOM 1127 OH TYR X 67 104.457 5.657 1.883 1.00 1.00 O ATOM 0 H TYR X 67 97.920 1.456 3.811 1.00 1.00 H new ATOM 0 HA TYR X 67 100.420 0.545 2.809 1.00 1.00 H new ATOM 0 HB2 TYR X 67 99.367 2.222 1.528 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.930 3.175 2.933 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.809 2.103 0.816 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.415 4.836 3.821 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.873 3.451 0.547 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.478 6.186 3.552 1.00 1.00 H new ATOM 0 HH TYR X 67 104.428 6.423 2.493 1.00 1.00 H new ATOM 1137 N ASN X 68 100.647 2.651 5.359 1.00 1.00 N ATOM 1138 CA ASN X 68 101.589 3.088 6.427 1.00 1.00 C ATOM 1139 C ASN X 68 101.933 1.893 7.317 1.00 1.00 C ATOM 1140 O ASN X 68 103.029 1.781 7.827 1.00 1.00 O ATOM 1141 CB ASN X 68 100.937 4.187 7.268 1.00 1.00 C ATOM 1142 CG ASN X 68 100.980 5.510 6.503 1.00 1.00 C ATOM 1143 OD1 ASN X 68 101.933 5.791 5.803 1.00 1.00 O ATOM 1144 ND2 ASN X 68 99.979 6.342 6.606 1.00 1.00 N ATOM 0 H ASN X 68 99.726 3.089 5.386 1.00 1.00 H new ATOM 0 HA ASN X 68 102.500 3.478 5.974 1.00 1.00 H new ATOM 0 HB2 ASN X 68 99.905 3.920 7.496 1.00 1.00 H new ATOM 0 HB3 ASN X 68 101.458 4.288 8.220 1.00 1.00 H new ATOM 0 HD21 ASN X 68 99.997 7.227 6.099 1.00 1.00 H new ATOM 0 HD22 ASN X 68 99.179 6.107 7.193 1.00 1.00 H new ATOM 1151 N THR X 69 100.999 1.002 7.514 1.00 1.00 N ATOM 1152 CA THR X 69 101.272 -0.182 8.372 1.00 1.00 C ATOM 1153 C THR X 69 102.283 -1.095 7.678 1.00 1.00 C ATOM 1154 O THR X 69 103.213 -1.585 8.286 1.00 1.00 O ATOM 1155 CB THR X 69 99.968 -0.951 8.612 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.954 -0.044 9.021 1.00 1.00 O ATOM 1157 CG2 THR X 69 100.186 -2.001 9.702 1.00 1.00 C ATOM 0 H THR X 69 100.060 1.044 7.117 1.00 1.00 H new ATOM 0 HA THR X 69 101.680 0.149 9.327 1.00 1.00 H new ATOM 0 HB THR X 69 99.663 -1.446 7.690 1.00 1.00 H new ATOM 0 HG1 THR X 69 98.449 0.257 8.237 1.00 1.00 H new ATOM 0 HG21 THR X 69 99.258 -2.547 9.872 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.964 -2.696 9.387 1.00 1.00 H new ATOM 0 HG23 THR X 69 100.492 -1.509 10.625 1.00 1.00 H new ATOM 1165 N PHE X 70 102.106 -1.326 6.404 1.00 1.00 N ATOM 1166 CA PHE X 70 103.045 -2.225 5.678 1.00 1.00 C ATOM 1167 C PHE X 70 103.674 -1.474 4.508 1.00 1.00 C ATOM 1168 O PHE X 70 104.880 -1.433 4.362 1.00 1.00 O ATOM 1169 CB PHE X 70 102.268 -3.438 5.141 1.00 1.00 C ATOM 1170 CG PHE X 70 101.912 -4.356 6.285 1.00 1.00 C ATOM 1171 CD1 PHE X 70 102.833 -5.313 6.727 1.00 1.00 C ATOM 1172 CD2 PHE X 70 100.660 -4.251 6.903 1.00 1.00 C ATOM 1173 CE1 PHE X 70 102.503 -6.165 7.788 1.00 1.00 C ATOM 1174 CE2 PHE X 70 100.330 -5.103 7.964 1.00 1.00 C ATOM 1175 CZ PHE X 70 101.251 -6.060 8.407 1.00 1.00 C ATOM 0 H PHE X 70 101.354 -0.932 5.838 1.00 1.00 H new ATOM 0 HA PHE X 70 103.829 -2.557 6.359 1.00 1.00 H new ATOM 0 HB2 PHE X 70 101.363 -3.107 4.632 1.00 1.00 H new ATOM 0 HB3 PHE X 70 102.870 -3.972 4.406 1.00 1.00 H new ATOM 0 HD1 PHE X 70 103.798 -5.394 6.250 1.00 1.00 H new ATOM 0 HD2 PHE X 70 99.949 -3.513 6.561 1.00 1.00 H new ATOM 0 HE1 PHE X 70 103.214 -6.903 8.129 1.00 1.00 H new ATOM 0 HE2 PHE X 70 99.364 -5.022 8.441 1.00 1.00 H new ATOM 0 HZ PHE X 70 100.996 -6.717 9.226 1.00 1.00 H new ATOM 1185 N GLY X 71 102.869 -0.865 3.681 1.00 1.00 N ATOM 1186 CA GLY X 71 103.422 -0.127 2.511 1.00 1.00 C ATOM 1187 C GLY X 71 102.577 -0.431 1.272 1.00 1.00 C ATOM 1188 O GLY X 71 101.473 -0.926 1.369 1.00 1.00 O ATOM 0 H GLY X 71 101.853 -0.847 3.765 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.422 0.945 2.710 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.458 -0.420 2.339 1.00 1.00 H new ATOM 1192 N PRO X 72 103.098 -0.126 0.115 1.00 1.00 N ATOM 1193 CA PRO X 72 102.390 -0.349 -1.176 1.00 1.00 C ATOM 1194 C PRO X 72 102.167 -1.834 -1.463 1.00 1.00 C ATOM 1195 O PRO X 72 101.299 -2.205 -2.227 1.00 1.00 O ATOM 1196 CB PRO X 72 103.314 0.273 -2.236 1.00 1.00 C ATOM 1197 CG PRO X 72 104.362 1.039 -1.491 1.00 1.00 C ATOM 1198 CD PRO X 72 104.428 0.452 -0.090 1.00 1.00 C ATOM 0 HA PRO X 72 101.395 0.097 -1.165 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.767 -0.500 -2.857 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.754 0.929 -2.902 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.328 0.957 -1.990 1.00 1.00 H new ATOM 0 HG3 PRO X 72 104.112 2.099 -1.454 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.209 -0.305 -0.011 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.649 1.218 0.654 1.00 1.00 H new ATOM 1206 N GLU X 73 102.941 -2.689 -0.852 1.00 1.00 N ATOM 1207 CA GLU X 73 102.777 -4.147 -1.101 1.00 1.00 C ATOM 1208 C GLU X 73 101.331 -4.550 -0.811 1.00 1.00 C ATOM 1209 O GLU X 73 100.666 -5.148 -1.634 1.00 1.00 O ATOM 1210 CB GLU X 73 103.719 -4.931 -0.182 1.00 1.00 C ATOM 1211 CG GLU X 73 105.171 -4.628 -0.558 1.00 1.00 C ATOM 1212 CD GLU X 73 105.470 -5.196 -1.946 1.00 1.00 C ATOM 1213 OE1 GLU X 73 104.761 -6.097 -2.361 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.404 -4.719 -2.571 1.00 1.00 O ATOM 0 H GLU X 73 103.678 -2.440 -0.192 1.00 1.00 H new ATOM 0 HA GLU X 73 103.017 -4.369 -2.141 1.00 1.00 H new ATOM 0 HB2 GLU X 73 103.538 -4.660 0.858 1.00 1.00 H new ATOM 0 HB3 GLU X 73 103.525 -6.000 -0.271 1.00 1.00 H new ATOM 0 HG2 GLU X 73 105.342 -3.552 -0.550 1.00 1.00 H new ATOM 0 HG3 GLU X 73 105.847 -5.064 0.178 1.00 1.00 H new ATOM 1221 N LYS X 74 100.838 -4.226 0.352 1.00 1.00 N ATOM 1222 CA LYS X 74 99.438 -4.596 0.700 1.00 1.00 C ATOM 1223 C LYS X 74 98.472 -3.830 -0.201 1.00 1.00 C ATOM 1224 O LYS X 74 97.462 -4.349 -0.632 1.00 1.00 O ATOM 1225 CB LYS X 74 99.165 -4.244 2.162 1.00 1.00 C ATOM 1226 CG LYS X 74 100.100 -5.048 3.068 1.00 1.00 C ATOM 1227 CD LYS X 74 99.804 -6.541 2.910 1.00 1.00 C ATOM 1228 CE LYS X 74 100.273 -7.289 4.160 1.00 1.00 C ATOM 1229 NZ LYS X 74 100.001 -8.745 3.998 1.00 1.00 N ATOM 0 H LYS X 74 101.345 -3.720 1.078 1.00 1.00 H new ATOM 0 HA LYS X 74 99.297 -5.667 0.555 1.00 1.00 H new ATOM 0 HB2 LYS X 74 99.315 -3.177 2.323 1.00 1.00 H new ATOM 0 HB3 LYS X 74 98.126 -4.461 2.411 1.00 1.00 H new ATOM 0 HG2 LYS X 74 101.139 -4.843 2.810 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.964 -4.747 4.107 1.00 1.00 H new ATOM 0 HD2 LYS X 74 98.736 -6.697 2.759 1.00 1.00 H new ATOM 0 HD3 LYS X 74 100.311 -6.932 2.028 1.00 1.00 H new ATOM 0 HE2 LYS X 74 101.339 -7.122 4.318 1.00 1.00 H new ATOM 0 HE3 LYS X 74 99.756 -6.907 5.041 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 100.319 -9.254 4.847 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 98.980 -8.895 3.867 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 100.513 -9.103 3.167 1.00 1.00 H new ATOM 1243 N VAL X 75 98.772 -2.592 -0.487 1.00 1.00 N ATOM 1244 CA VAL X 75 97.865 -1.786 -1.352 1.00 1.00 C ATOM 1245 C VAL X 75 98.699 -0.869 -2.249 1.00 1.00 C ATOM 1246 O VAL X 75 98.840 0.309 -1.987 1.00 1.00 O ATOM 1247 CB VAL X 75 96.946 -0.937 -0.471 1.00 1.00 C ATOM 1248 CG1 VAL X 75 96.024 -1.853 0.334 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.792 -0.097 0.487 1.00 1.00 C ATOM 0 H VAL X 75 99.606 -2.104 -0.159 1.00 1.00 H new ATOM 0 HA VAL X 75 97.264 -2.452 -1.971 1.00 1.00 H new ATOM 0 HB VAL X 75 96.346 -0.279 -1.099 1.00 1.00 H new ATOM 0 HG11 VAL X 75 95.369 -1.249 0.962 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.421 -2.453 -0.348 1.00 1.00 H new ATOM 0 HG13 VAL X 75 96.624 -2.511 0.963 1.00 1.00 H new ATOM 0 HG21 VAL X 75 97.138 0.508 1.115 1.00 1.00 H new ATOM 0 HG22 VAL X 75 98.391 -0.755 1.116 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.450 0.556 -0.086 1.00 1.00 H new ATOM 1259 N PRO X 76 99.250 -1.413 -3.299 1.00 1.00 N ATOM 1260 CA PRO X 76 100.097 -0.648 -4.254 1.00 1.00 C ATOM 1261 C PRO X 76 99.366 0.563 -4.840 1.00 1.00 C ATOM 1262 O PRO X 76 98.152 0.606 -4.885 1.00 1.00 O ATOM 1263 CB PRO X 76 100.410 -1.668 -5.349 1.00 1.00 C ATOM 1264 CG PRO X 76 100.212 -3.006 -4.715 1.00 1.00 C ATOM 1265 CD PRO X 76 99.115 -2.824 -3.693 1.00 1.00 C ATOM 0 HA PRO X 76 100.984 -0.237 -3.772 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.750 -1.538 -6.207 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.431 -1.553 -5.712 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.933 -3.753 -5.458 1.00 1.00 H new ATOM 0 HG3 PRO X 76 101.131 -3.354 -4.243 1.00 1.00 H new ATOM 0 HD2 PRO X 76 98.132 -3.031 -4.117 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.243 -3.493 -2.842 1.00 1.00 H new ATOM 1273 N VAL X 77 100.094 1.549 -5.286 1.00 1.00 N ATOM 1274 CA VAL X 77 99.442 2.752 -5.875 1.00 1.00 C ATOM 1275 C VAL X 77 98.398 2.312 -6.903 1.00 1.00 C ATOM 1276 O VAL X 77 97.593 3.098 -7.361 1.00 1.00 O ATOM 1277 CB VAL X 77 100.498 3.620 -6.563 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.189 2.810 -7.661 1.00 1.00 C ATOM 1279 CG2 VAL X 77 99.823 4.846 -7.185 1.00 1.00 C ATOM 0 H VAL X 77 101.114 1.574 -5.268 1.00 1.00 H new ATOM 0 HA VAL X 77 98.958 3.326 -5.085 1.00 1.00 H new ATOM 0 HB VAL X 77 101.237 3.942 -5.829 1.00 1.00 H new ATOM 0 HG11 VAL X 77 101.941 3.429 -8.151 1.00 1.00 H new ATOM 0 HG12 VAL X 77 101.669 1.936 -7.221 1.00 1.00 H new ATOM 0 HG13 VAL X 77 100.450 2.488 -8.395 1.00 1.00 H new ATOM 0 HG21 VAL X 77 100.574 5.465 -7.675 1.00 1.00 H new ATOM 0 HG22 VAL X 77 99.085 4.522 -7.918 1.00 1.00 H new ATOM 0 HG23 VAL X 77 99.329 5.425 -6.404 1.00 1.00 H new ATOM 1289 N THR X 78 98.404 1.060 -7.271 1.00 1.00 N ATOM 1290 CA THR X 78 97.419 0.574 -8.278 1.00 1.00 C ATOM 1291 C THR X 78 96.001 0.800 -7.753 1.00 1.00 C ATOM 1292 O THR X 78 95.103 1.150 -8.493 1.00 1.00 O ATOM 1293 CB THR X 78 97.638 -0.921 -8.528 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.361 -1.644 -7.337 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.089 -1.165 -8.949 1.00 1.00 C ATOM 0 H THR X 78 99.048 0.353 -6.918 1.00 1.00 H new ATOM 0 HA THR X 78 97.554 1.121 -9.211 1.00 1.00 H new ATOM 0 HB THR X 78 96.971 -1.257 -9.322 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.499 -2.601 -7.496 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.242 -2.230 -9.126 1.00 1.00 H new ATOM 0 HG22 THR X 78 99.301 -0.611 -9.863 1.00 1.00 H new ATOM 0 HG23 THR X 78 99.759 -0.829 -8.158 1.00 1.00 H new ATOM 1303 N ALA X 79 95.792 0.605 -6.480 1.00 1.00 N ATOM 1304 CA ALA X 79 94.430 0.802 -5.910 1.00 1.00 C ATOM 1305 C ALA X 79 93.941 2.213 -6.239 1.00 1.00 C ATOM 1306 O ALA X 79 92.822 2.407 -6.672 1.00 1.00 O ATOM 1307 CB ALA X 79 94.482 0.622 -4.391 1.00 1.00 C ATOM 0 H ALA X 79 96.506 0.318 -5.810 1.00 1.00 H new ATOM 0 HA ALA X 79 93.746 0.070 -6.339 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.486 0.766 -3.973 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.832 -0.383 -4.155 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.165 1.355 -3.961 1.00 1.00 H new ATOM 1313 N PHE X 80 94.769 3.200 -6.037 1.00 1.00 N ATOM 1314 CA PHE X 80 94.348 4.598 -6.331 1.00 1.00 C ATOM 1315 C PHE X 80 94.070 4.745 -7.827 1.00 1.00 C ATOM 1316 O PHE X 80 93.090 5.338 -8.231 1.00 1.00 O ATOM 1317 CB PHE X 80 95.464 5.562 -5.922 1.00 1.00 C ATOM 1318 CG PHE X 80 95.576 5.591 -4.416 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.347 4.629 -3.754 1.00 1.00 C ATOM 1320 CD2 PHE X 80 94.910 6.581 -3.684 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.451 4.655 -2.359 1.00 1.00 C ATOM 1322 CE2 PHE X 80 95.015 6.607 -2.288 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.786 5.644 -1.625 1.00 1.00 C ATOM 0 H PHE X 80 95.719 3.099 -5.681 1.00 1.00 H new ATOM 0 HA PHE X 80 93.442 4.830 -5.770 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.410 5.248 -6.362 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.253 6.562 -6.301 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.862 3.867 -4.320 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.316 7.324 -4.195 1.00 1.00 H new ATOM 0 HE1 PHE X 80 97.045 3.911 -1.848 1.00 1.00 H new ATOM 0 HE2 PHE X 80 94.501 7.370 -1.722 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.867 5.664 -0.548 1.00 1.00 H new ATOM 1333 N SER X 81 94.927 4.209 -8.652 1.00 1.00 N ATOM 1334 CA SER X 81 94.715 4.321 -10.122 1.00 1.00 C ATOM 1335 C SER X 81 93.403 3.633 -10.504 1.00 1.00 C ATOM 1336 O SER X 81 92.557 4.207 -11.160 1.00 1.00 O ATOM 1337 CB SER X 81 95.876 3.647 -10.857 1.00 1.00 C ATOM 1338 OG SER X 81 97.094 4.286 -10.496 1.00 1.00 O ATOM 0 H SER X 81 95.764 3.699 -8.371 1.00 1.00 H new ATOM 0 HA SER X 81 94.668 5.373 -10.402 1.00 1.00 H new ATOM 0 HB2 SER X 81 95.918 2.588 -10.602 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.725 3.709 -11.935 1.00 1.00 H new ATOM 0 HG SER X 81 97.840 3.856 -10.964 1.00 1.00 H new ATOM 1344 N TYR X 82 93.222 2.408 -10.090 1.00 1.00 N ATOM 1345 CA TYR X 82 91.966 1.684 -10.432 1.00 1.00 C ATOM 1346 C TYR X 82 90.768 2.439 -9.853 1.00 1.00 C ATOM 1347 O TYR X 82 89.745 2.581 -10.491 1.00 1.00 O ATOM 1348 CB TYR X 82 92.015 0.270 -9.847 1.00 1.00 C ATOM 1349 CG TYR X 82 92.635 -0.675 -10.850 1.00 1.00 C ATOM 1350 CD1 TYR X 82 91.863 -1.191 -11.898 1.00 1.00 C ATOM 1351 CD2 TYR X 82 93.982 -1.035 -10.729 1.00 1.00 C ATOM 1352 CE1 TYR X 82 92.439 -2.068 -12.825 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.558 -1.913 -11.657 1.00 1.00 C ATOM 1354 CZ TYR X 82 93.787 -2.429 -12.704 1.00 1.00 C ATOM 1355 OH TYR X 82 94.354 -3.294 -13.617 1.00 1.00 O ATOM 0 H TYR X 82 93.890 1.878 -9.530 1.00 1.00 H new ATOM 0 HA TYR X 82 91.865 1.623 -11.516 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.595 0.268 -8.924 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.009 -0.064 -9.592 1.00 1.00 H new ATOM 0 HD1 TYR X 82 90.824 -0.913 -11.991 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.577 -0.636 -9.921 1.00 1.00 H new ATOM 0 HE1 TYR X 82 91.844 -2.466 -13.633 1.00 1.00 H new ATOM 0 HE2 TYR X 82 95.597 -2.191 -11.564 1.00 1.00 H new ATOM 0 HH TYR X 82 95.296 -3.439 -13.389 1.00 1.00 H new ATOM 1365 N TRP X 83 90.886 2.923 -8.647 1.00 1.00 N ATOM 1366 CA TRP X 83 89.753 3.667 -8.026 1.00 1.00 C ATOM 1367 C TRP X 83 89.470 4.930 -8.842 1.00 1.00 C ATOM 1368 O TRP X 83 88.333 5.296 -9.065 1.00 1.00 O ATOM 1369 CB TRP X 83 90.117 4.052 -6.594 1.00 1.00 C ATOM 1370 CG TRP X 83 88.869 4.224 -5.793 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.195 5.389 -5.644 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.132 3.226 -5.029 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.093 5.168 -4.839 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.010 3.850 -4.434 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.327 1.852 -4.797 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.113 3.138 -3.638 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.425 1.132 -3.997 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.321 1.774 -3.418 1.00 1.00 C ATOM 0 H TRP X 83 91.719 2.835 -8.064 1.00 1.00 H new ATOM 0 HA TRP X 83 88.865 3.035 -8.013 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.745 3.281 -6.147 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.695 4.976 -6.590 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.473 6.336 -6.082 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.423 5.890 -4.576 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.175 1.348 -5.237 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.264 3.637 -3.195 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.583 0.077 -3.827 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.632 1.215 -2.803 1.00 1.00 H new ATOM 1389 N ASN X 84 90.496 5.597 -9.291 1.00 1.00 N ATOM 1390 CA ASN X 84 90.289 6.822 -10.116 1.00 1.00 C ATOM 1391 C ASN X 84 89.423 6.462 -11.328 1.00 1.00 C ATOM 1392 O ASN X 84 88.566 7.222 -11.736 1.00 1.00 O ATOM 1393 CB ASN X 84 91.642 7.350 -10.595 1.00 1.00 C ATOM 1394 CG ASN X 84 92.459 7.819 -9.390 1.00 1.00 C ATOM 1395 OD1 ASN X 84 91.860 8.020 -8.249 1.00 1.00 O flip ATOM 1396 ND2 ASN X 84 93.657 8.004 -9.490 1.00 1.00 N flip ATOM 0 H ASN X 84 91.471 5.347 -9.123 1.00 1.00 H new ATOM 0 HA ASN X 84 89.794 7.590 -9.521 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.180 6.569 -11.132 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.497 8.174 -11.293 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.125 7.847 -10.383 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.194 8.317 -8.681 1.00 1.00 H new ATOM 1403 N LEU X 85 89.638 5.311 -11.903 1.00 1.00 N ATOM 1404 CA LEU X 85 88.811 4.892 -13.070 1.00 1.00 C ATOM 1405 C LEU X 85 87.345 4.775 -12.643 1.00 1.00 C ATOM 1406 O LEU X 85 86.449 5.196 -13.346 1.00 1.00 O ATOM 1407 CB LEU X 85 89.302 3.535 -13.582 1.00 1.00 C ATOM 1408 CG LEU X 85 88.546 3.167 -14.858 1.00 1.00 C ATOM 1409 CD1 LEU X 85 89.516 2.554 -15.868 1.00 1.00 C ATOM 1410 CD2 LEU X 85 87.451 2.152 -14.524 1.00 1.00 C ATOM 0 H LEU X 85 90.352 4.642 -11.615 1.00 1.00 H new ATOM 0 HA LEU X 85 88.900 5.635 -13.863 1.00 1.00 H new ATOM 0 HB2 LEU X 85 90.373 3.575 -13.780 1.00 1.00 H new ATOM 0 HB3 LEU X 85 89.147 2.770 -12.821 1.00 1.00 H new ATOM 0 HG LEU X 85 88.096 4.063 -15.285 1.00 1.00 H new ATOM 0 HD11 LEU X 85 88.976 2.292 -16.778 1.00 1.00 H new ATOM 0 HD12 LEU X 85 90.298 3.275 -16.105 1.00 1.00 H new ATOM 0 HD13 LEU X 85 89.966 1.657 -15.442 1.00 1.00 H new ATOM 0 HD21 LEU X 85 86.910 1.888 -15.433 1.00 1.00 H new ATOM 0 HD22 LEU X 85 87.903 1.256 -14.097 1.00 1.00 H new ATOM 0 HD23 LEU X 85 86.759 2.588 -13.803 1.00 1.00 H new ATOM 1422 N ILE X 86 87.095 4.207 -11.496 1.00 1.00 N ATOM 1423 CA ILE X 86 85.689 4.070 -11.023 1.00 1.00 C ATOM 1424 C ILE X 86 85.069 5.456 -10.859 1.00 1.00 C ATOM 1425 O ILE X 86 83.933 5.688 -11.224 1.00 1.00 O ATOM 1426 CB ILE X 86 85.667 3.338 -9.680 1.00 1.00 C ATOM 1427 CG1 ILE X 86 85.726 1.827 -9.919 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.385 3.688 -8.927 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.305 1.284 -10.094 1.00 1.00 C ATOM 0 H ILE X 86 87.804 3.832 -10.866 1.00 1.00 H new ATOM 0 HA ILE X 86 85.116 3.500 -11.754 1.00 1.00 H new ATOM 0 HB ILE X 86 86.529 3.644 -9.087 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.322 1.611 -10.806 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.215 1.334 -9.079 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.371 3.166 -7.970 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.347 4.763 -8.754 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.521 3.385 -9.519 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.345 0.208 -10.264 1.00 1.00 H new ATOM 0 HD12 ILE X 86 83.724 1.488 -9.194 1.00 1.00 H new ATOM 0 HD13 ILE X 86 83.833 1.769 -10.948 1.00 1.00 H new ATOM 1441 N LYS X 87 85.806 6.382 -10.311 1.00 1.00 N ATOM 1442 CA LYS X 87 85.253 7.749 -10.109 1.00 1.00 C ATOM 1443 C LYS X 87 84.757 8.303 -11.446 1.00 1.00 C ATOM 1444 O LYS X 87 83.726 8.937 -11.519 1.00 1.00 O ATOM 1445 CB LYS X 87 86.353 8.664 -9.557 1.00 1.00 C ATOM 1446 CG LYS X 87 86.767 8.184 -8.165 1.00 1.00 C ATOM 1447 CD LYS X 87 85.585 8.320 -7.205 1.00 1.00 C ATOM 1448 CE LYS X 87 86.104 8.483 -5.776 1.00 1.00 C ATOM 1449 NZ LYS X 87 84.954 8.656 -4.845 1.00 1.00 N ATOM 0 H LYS X 87 86.767 6.251 -9.995 1.00 1.00 H new ATOM 0 HA LYS X 87 84.423 7.705 -9.404 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.214 8.659 -10.226 1.00 1.00 H new ATOM 0 HB3 LYS X 87 85.994 9.692 -9.507 1.00 1.00 H new ATOM 0 HG2 LYS X 87 87.095 7.145 -8.210 1.00 1.00 H new ATOM 0 HG3 LYS X 87 87.612 8.770 -7.803 1.00 1.00 H new ATOM 0 HD2 LYS X 87 84.975 9.180 -7.482 1.00 1.00 H new ATOM 0 HD3 LYS X 87 84.945 7.440 -7.273 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.690 7.610 -5.489 1.00 1.00 H new ATOM 0 HE3 LYS X 87 86.768 9.346 -5.715 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 85.305 8.951 -3.911 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 84.311 9.383 -5.219 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 84.442 7.755 -4.754 1.00 1.00 H new ATOM 1463 N GLU X 88 85.482 8.064 -12.505 1.00 1.00 N ATOM 1464 CA GLU X 88 85.063 8.603 -13.828 1.00 1.00 C ATOM 1465 C GLU X 88 83.773 7.917 -14.274 1.00 1.00 C ATOM 1466 O GLU X 88 82.899 8.531 -14.853 1.00 1.00 O ATOM 1467 CB GLU X 88 86.166 8.338 -14.860 1.00 1.00 C ATOM 1468 CG GLU X 88 87.439 9.080 -14.451 1.00 1.00 C ATOM 1469 CD GLU X 88 88.539 8.811 -15.480 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.285 8.060 -16.407 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.617 9.361 -15.324 1.00 1.00 O ATOM 0 H GLU X 88 86.345 7.520 -12.510 1.00 1.00 H new ATOM 0 HA GLU X 88 84.893 9.676 -13.745 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.363 7.268 -14.930 1.00 1.00 H new ATOM 0 HB3 GLU X 88 85.842 8.668 -15.847 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.243 10.150 -14.383 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.762 8.752 -13.463 1.00 1.00 H new ATOM 1478 N LEU X 89 83.645 6.645 -14.010 1.00 1.00 N ATOM 1479 CA LEU X 89 82.418 5.919 -14.433 1.00 1.00 C ATOM 1480 C LEU X 89 81.206 6.472 -13.688 1.00 1.00 C ATOM 1481 O LEU X 89 80.149 6.665 -14.254 1.00 1.00 O ATOM 1482 CB LEU X 89 82.573 4.426 -14.119 1.00 1.00 C ATOM 1483 CG LEU X 89 83.149 3.701 -15.336 1.00 1.00 C ATOM 1484 CD1 LEU X 89 84.568 4.203 -15.610 1.00 1.00 C ATOM 1485 CD2 LEU X 89 83.186 2.195 -15.061 1.00 1.00 C ATOM 0 H LEU X 89 84.338 6.079 -13.520 1.00 1.00 H new ATOM 0 HA LEU X 89 82.273 6.054 -15.505 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.229 4.291 -13.259 1.00 1.00 H new ATOM 0 HB3 LEU X 89 81.607 3.998 -13.852 1.00 1.00 H new ATOM 0 HG LEU X 89 82.521 3.899 -16.205 1.00 1.00 H new ATOM 0 HD11 LEU X 89 84.976 3.685 -16.478 1.00 1.00 H new ATOM 0 HD12 LEU X 89 84.543 5.275 -15.806 1.00 1.00 H new ATOM 0 HD13 LEU X 89 85.197 4.008 -14.742 1.00 1.00 H new ATOM 0 HD21 LEU X 89 83.596 1.677 -15.928 1.00 1.00 H new ATOM 0 HD22 LEU X 89 83.813 1.999 -14.191 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.175 1.835 -14.868 1.00 1.00 H new ATOM 1497 N ILE X 90 81.352 6.732 -12.417 1.00 1.00 N ATOM 1498 CA ILE X 90 80.197 7.237 -11.624 1.00 1.00 C ATOM 1499 C ILE X 90 80.125 8.758 -11.733 1.00 1.00 C ATOM 1500 O ILE X 90 79.066 9.330 -11.902 1.00 1.00 O ATOM 1501 CB ILE X 90 80.376 6.836 -10.157 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.658 7.467 -9.610 1.00 1.00 C ATOM 1503 CG2 ILE X 90 80.473 5.313 -10.047 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.041 6.790 -8.293 1.00 1.00 C ATOM 0 H ILE X 90 82.221 6.616 -11.895 1.00 1.00 H new ATOM 0 HA ILE X 90 79.274 6.805 -12.011 1.00 1.00 H new ATOM 0 HB ILE X 90 79.520 7.186 -9.580 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.466 7.360 -10.334 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.511 8.535 -9.452 1.00 1.00 H new ATOM 0 HG21 ILE X 90 80.600 5.031 -9.002 1.00 1.00 H new ATOM 0 HG22 ILE X 90 79.561 4.861 -10.436 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.327 4.960 -10.625 1.00 1.00 H new ATOM 0 HD11 ILE X 90 82.954 7.240 -7.905 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.236 6.920 -7.570 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.206 5.726 -8.465 1.00 1.00 H new ATOM 1516 N ASP X 91 81.245 9.422 -11.639 1.00 1.00 N ATOM 1517 CA ASP X 91 81.237 10.910 -11.717 1.00 1.00 C ATOM 1518 C ASP X 91 80.635 11.349 -13.053 1.00 1.00 C ATOM 1519 O ASP X 91 79.772 12.202 -13.105 1.00 1.00 O ATOM 1520 CB ASP X 91 82.673 11.433 -11.609 1.00 1.00 C ATOM 1521 CG ASP X 91 83.197 11.197 -10.192 1.00 1.00 C ATOM 1522 OD1 ASP X 91 82.399 10.857 -9.334 1.00 1.00 O ATOM 1523 OD2 ASP X 91 84.389 11.361 -9.988 1.00 1.00 O ATOM 0 H ASP X 91 82.164 8.999 -11.512 1.00 1.00 H new ATOM 0 HA ASP X 91 80.639 11.313 -10.900 1.00 1.00 H new ATOM 0 HB2 ASP X 91 83.311 10.926 -12.333 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.703 12.496 -11.847 1.00 1.00 H new ATOM 1528 N LYS X 92 81.081 10.769 -14.135 1.00 1.00 N ATOM 1529 CA LYS X 92 80.538 11.157 -15.467 1.00 1.00 C ATOM 1530 C LYS X 92 79.051 10.804 -15.539 1.00 1.00 C ATOM 1531 O LYS X 92 78.241 11.580 -16.007 1.00 1.00 O ATOM 1532 CB LYS X 92 81.295 10.405 -16.564 1.00 1.00 C ATOM 1533 CG LYS X 92 82.722 10.948 -16.667 1.00 1.00 C ATOM 1534 CD LYS X 92 83.496 10.154 -17.721 1.00 1.00 C ATOM 1535 CE LYS X 92 84.899 10.744 -17.876 1.00 1.00 C ATOM 1536 NZ LYS X 92 85.663 9.950 -18.879 1.00 1.00 N ATOM 0 H LYS X 92 81.798 10.044 -14.153 1.00 1.00 H new ATOM 0 HA LYS X 92 80.661 12.231 -15.609 1.00 1.00 H new ATOM 0 HB2 LYS X 92 81.316 9.339 -16.340 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.782 10.520 -17.519 1.00 1.00 H new ATOM 0 HG2 LYS X 92 82.702 12.004 -16.935 1.00 1.00 H new ATOM 0 HG3 LYS X 92 83.221 10.873 -15.701 1.00 1.00 H new ATOM 0 HD2 LYS X 92 83.561 9.106 -17.427 1.00 1.00 H new ATOM 0 HD3 LYS X 92 82.969 10.186 -18.675 1.00 1.00 H new ATOM 0 HE2 LYS X 92 84.835 11.785 -18.193 1.00 1.00 H new ATOM 0 HE3 LYS X 92 85.417 10.734 -16.917 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 86.617 10.350 -18.985 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 85.735 8.963 -18.559 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 85.171 9.981 -19.795 1.00 1.00 H new ATOM 1550 N LYS X 93 78.685 9.639 -15.078 1.00 1.00 N ATOM 1551 CA LYS X 93 77.250 9.237 -15.119 1.00 1.00 C ATOM 1552 C LYS X 93 76.498 9.914 -13.972 1.00 1.00 C ATOM 1553 O LYS X 93 76.917 9.873 -12.833 1.00 1.00 O ATOM 1554 CB LYS X 93 77.141 7.717 -14.978 1.00 1.00 C ATOM 1555 CG LYS X 93 75.671 7.303 -15.046 1.00 1.00 C ATOM 1556 CD LYS X 93 75.566 5.779 -14.967 1.00 1.00 C ATOM 1557 CE LYS X 93 74.098 5.362 -15.067 1.00 1.00 C ATOM 1558 NZ LYS X 93 73.994 3.880 -14.948 1.00 1.00 N ATOM 0 H LYS X 93 79.318 8.948 -14.675 1.00 1.00 H new ATOM 0 HA LYS X 93 76.813 9.544 -16.069 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.705 7.226 -15.771 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.577 7.397 -14.032 1.00 1.00 H new ATOM 0 HG2 LYS X 93 75.115 7.759 -14.227 1.00 1.00 H new ATOM 0 HG3 LYS X 93 75.224 7.661 -15.973 1.00 1.00 H new ATOM 0 HD2 LYS X 93 76.140 5.322 -15.773 1.00 1.00 H new ATOM 0 HD3 LYS X 93 75.993 5.423 -14.030 1.00 1.00 H new ATOM 0 HE2 LYS X 93 73.518 5.843 -14.279 1.00 1.00 H new ATOM 0 HE3 LYS X 93 73.679 5.692 -16.018 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 72.996 3.595 -15.016 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 74.535 3.431 -15.715 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 74.378 3.578 -14.030 1.00 1.00 H new ATOM 1572 N GLU X 94 75.387 10.534 -14.264 1.00 1.00 N ATOM 1573 CA GLU X 94 74.613 11.223 -13.191 1.00 1.00 C ATOM 1574 C GLU X 94 73.948 10.181 -12.290 1.00 1.00 C ATOM 1575 O GLU X 94 73.294 9.270 -12.759 1.00 1.00 O ATOM 1576 CB GLU X 94 73.540 12.108 -13.829 1.00 1.00 C ATOM 1577 CG GLU X 94 74.208 13.274 -14.560 1.00 1.00 C ATOM 1578 CD GLU X 94 73.146 14.081 -15.311 1.00 1.00 C ATOM 1579 OE1 GLU X 94 71.990 13.694 -15.259 1.00 1.00 O ATOM 1580 OE2 GLU X 94 73.508 15.069 -15.928 1.00 1.00 O ATOM 0 H GLU X 94 74.982 10.593 -15.198 1.00 1.00 H new ATOM 0 HA GLU X 94 75.286 11.839 -12.594 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.939 11.524 -14.526 1.00 1.00 H new ATOM 0 HB3 GLU X 94 72.862 12.485 -13.063 1.00 1.00 H new ATOM 0 HG2 GLU X 94 74.729 13.913 -13.847 1.00 1.00 H new ATOM 0 HG3 GLU X 94 74.956 12.899 -15.258 1.00 1.00 H new ATOM 1587 N VAL X 95 74.107 10.308 -11.001 1.00 1.00 N ATOM 1588 CA VAL X 95 73.489 9.322 -10.071 1.00 1.00 C ATOM 1589 C VAL X 95 72.713 10.062 -8.980 1.00 1.00 C ATOM 1590 O VAL X 95 72.931 11.232 -8.736 1.00 1.00 O ATOM 1591 CB VAL X 95 74.587 8.473 -9.429 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.532 9.376 -8.636 1.00 1.00 C ATOM 1593 CG2 VAL X 95 73.950 7.449 -8.486 1.00 1.00 C ATOM 0 H VAL X 95 74.639 11.053 -10.552 1.00 1.00 H new ATOM 0 HA VAL X 95 72.807 8.678 -10.626 1.00 1.00 H new ATOM 0 HB VAL X 95 75.148 7.954 -10.206 1.00 1.00 H new ATOM 0 HG11 VAL X 95 76.315 8.771 -8.178 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.984 10.107 -9.306 1.00 1.00 H new ATOM 0 HG13 VAL X 95 74.972 9.894 -7.858 1.00 1.00 H new ATOM 0 HG21 VAL X 95 74.731 6.842 -8.027 1.00 1.00 H new ATOM 0 HG22 VAL X 95 73.390 7.969 -7.709 1.00 1.00 H new ATOM 0 HG23 VAL X 95 73.275 6.805 -9.050 1.00 1.00 H new ATOM 1603 N ASN X 96 71.808 9.390 -8.323 1.00 1.00 N ATOM 1604 CA ASN X 96 71.014 10.057 -7.252 1.00 1.00 C ATOM 1605 C ASN X 96 71.217 9.319 -5.927 1.00 1.00 C ATOM 1606 O ASN X 96 70.429 8.475 -5.549 1.00 1.00 O ATOM 1607 CB ASN X 96 69.531 10.035 -7.627 1.00 1.00 C ATOM 1608 CG ASN X 96 68.797 11.150 -6.880 1.00 1.00 C ATOM 1609 OD1 ASN X 96 69.171 11.464 -5.670 1.00 1.00 O flip ATOM 1610 ND2 ASN X 96 67.873 11.741 -7.403 1.00 1.00 N flip ATOM 0 H ASN X 96 71.584 8.408 -8.481 1.00 1.00 H new ATOM 0 HA ASN X 96 71.347 11.090 -7.145 1.00 1.00 H new ATOM 0 HB2 ASN X 96 69.415 10.167 -8.703 1.00 1.00 H new ATOM 0 HB3 ASN X 96 69.096 9.068 -7.376 1.00 1.00 H new ATOM 0 HD21 ASN X 96 67.581 11.496 -8.349 1.00 1.00 H new ATOM 0 HD22 ASN X 96 67.390 12.483 -6.896 1.00 1.00 H new ATOM 1617 N PRO X 97 72.272 9.639 -5.229 1.00 1.00 N ATOM 1618 CA PRO X 97 72.603 9.002 -3.923 1.00 1.00 C ATOM 1619 C PRO X 97 71.830 9.629 -2.758 1.00 1.00 C ATOM 1620 O PRO X 97 70.837 10.301 -2.950 1.00 1.00 O ATOM 1621 CB PRO X 97 74.100 9.253 -3.769 1.00 1.00 C ATOM 1622 CG PRO X 97 74.387 10.472 -4.589 1.00 1.00 C ATOM 1623 CD PRO X 97 73.269 10.649 -5.611 1.00 1.00 C ATOM 0 HA PRO X 97 72.334 7.946 -3.907 1.00 1.00 H new ATOM 0 HB2 PRO X 97 74.366 9.411 -2.724 1.00 1.00 H new ATOM 0 HB3 PRO X 97 74.679 8.399 -4.119 1.00 1.00 H new ATOM 0 HG2 PRO X 97 74.455 11.351 -3.948 1.00 1.00 H new ATOM 0 HG3 PRO X 97 75.348 10.370 -5.094 1.00 1.00 H new ATOM 0 HD2 PRO X 97 72.851 11.655 -5.575 1.00 1.00 H new ATOM 0 HD3 PRO X 97 73.629 10.490 -6.627 1.00 1.00 H new ATOM 1631 N GLN X 98 72.278 9.412 -1.551 1.00 1.00 N ATOM 1632 CA GLN X 98 71.564 9.988 -0.378 1.00 1.00 C ATOM 1633 C GLN X 98 71.561 11.515 -0.482 1.00 1.00 C ATOM 1634 O GLN X 98 70.561 12.161 -0.239 1.00 1.00 O ATOM 1635 CB GLN X 98 72.275 9.566 0.910 1.00 1.00 C ATOM 1636 CG GLN X 98 72.086 8.063 1.130 1.00 1.00 C ATOM 1637 CD GLN X 98 72.892 7.618 2.352 1.00 1.00 C ATOM 1638 OE1 GLN X 98 72.268 7.127 3.387 1.00 1.00 O flip ATOM 1639 NE2 GLN X 98 74.103 7.720 2.365 1.00 1.00 N flip ATOM 0 H GLN X 98 73.107 8.861 -1.328 1.00 1.00 H new ATOM 0 HA GLN X 98 70.537 9.623 -0.363 1.00 1.00 H new ATOM 0 HB2 GLN X 98 73.337 9.804 0.846 1.00 1.00 H new ATOM 0 HB3 GLN X 98 71.874 10.121 1.758 1.00 1.00 H new ATOM 0 HG2 GLN X 98 71.030 7.837 1.276 1.00 1.00 H new ATOM 0 HG3 GLN X 98 72.411 7.512 0.247 1.00 1.00 H new ATOM 0 HE21 GLN X 98 74.591 8.104 1.556 1.00 1.00 H new ATOM 0 HE22 GLN X 98 74.631 7.422 3.185 1.00 1.00 H new ATOM 1648 N VAL X 99 72.672 12.096 -0.843 1.00 1.00 N ATOM 1649 CA VAL X 99 72.734 13.580 -0.965 1.00 1.00 C ATOM 1650 C VAL X 99 73.183 13.959 -2.377 1.00 1.00 C ATOM 1651 O VAL X 99 74.126 13.408 -2.907 1.00 1.00 O ATOM 1652 CB VAL X 99 73.731 14.136 0.053 1.00 1.00 C ATOM 1653 CG1 VAL X 99 73.984 15.616 -0.234 1.00 1.00 C ATOM 1654 CG2 VAL X 99 73.157 13.982 1.464 1.00 1.00 C ATOM 0 H VAL X 99 73.540 11.607 -1.059 1.00 1.00 H new ATOM 0 HA VAL X 99 71.747 14.000 -0.773 1.00 1.00 H new ATOM 0 HB VAL X 99 74.670 13.587 -0.021 1.00 1.00 H new ATOM 0 HG11 VAL X 99 74.695 16.011 0.492 1.00 1.00 H new ATOM 0 HG12 VAL X 99 74.392 15.727 -1.239 1.00 1.00 H new ATOM 0 HG13 VAL X 99 73.046 16.166 -0.160 1.00 1.00 H new ATOM 0 HG21 VAL X 99 73.867 14.378 2.191 1.00 1.00 H new ATOM 0 HG22 VAL X 99 72.218 14.531 1.537 1.00 1.00 H new ATOM 0 HG23 VAL X 99 72.977 12.927 1.670 1.00 1.00 H new ATOM 1664 N MET X 100 72.514 14.895 -2.992 1.00 1.00 N ATOM 1665 CA MET X 100 72.903 15.305 -4.371 1.00 1.00 C ATOM 1666 C MET X 100 73.871 16.488 -4.296 1.00 1.00 C ATOM 1667 O MET X 100 74.639 16.658 -5.228 1.00 1.00 O ATOM 1668 CB MET X 100 71.652 15.716 -5.151 1.00 1.00 C ATOM 1669 CG MET X 100 70.726 14.509 -5.303 1.00 1.00 C ATOM 1670 SD MET X 100 69.265 14.987 -6.259 1.00 1.00 S ATOM 1671 CE MET X 100 68.513 16.055 -5.004 1.00 1.00 C ATOM 1672 OXT MET X 100 73.826 17.204 -3.309 1.00 1.00 O ATOM 0 H MET X 100 71.715 15.393 -2.600 1.00 1.00 H new ATOM 0 HA MET X 100 73.389 14.470 -4.877 1.00 1.00 H new ATOM 0 HB2 MET X 100 71.134 16.522 -4.630 1.00 1.00 H new ATOM 0 HB3 MET X 100 71.932 16.099 -6.132 1.00 1.00 H new ATOM 0 HG2 MET X 100 71.251 13.695 -5.803 1.00 1.00 H new ATOM 0 HG3 MET X 100 70.427 14.140 -4.322 1.00 1.00 H new ATOM 0 HE1 MET X 100 67.429 15.942 -5.032 1.00 1.00 H new ATOM 0 HE2 MET X 100 68.882 15.773 -4.018 1.00 1.00 H new ATOM 0 HE3 MET X 100 68.775 17.094 -5.206 1.00 1.00 H new TER 1682 MET X 100