USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl 164:sc= -0.0235 (180deg=-0.316) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0.195 USER MOD Set 2.2: A 103 THR OG1 : rot -66:sc= 0.199 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -163:sc= 1.03 (180deg=0) USER MOD Set 3.2: A 24 GLN : amide:sc= 0.889 K(o=1.9,f=-3) USER MOD Set 4.1: A 17 LYS NZ :NH3+ -172:sc= 0.575 (180deg=-0.103) USER MOD Set 4.2: A 19 TYR OH : rot 180:sc= 0.371 USER MOD Set 5.1: A 13 THR OG1 : rot -73:sc= 0.62 USER MOD Set 5.2: A 18 THR OG1 : rot 180:sc= 0.573 USER MOD Single : A 9 GLN : amide:sc= 1.36 K(o=1.4,f=-6.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -138:sc= -0.525 (180deg=-1.15!) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0375) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 1.03 (180deg=0.975) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0401 K(o=-0.04,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0.84 (180deg=0.839) USER MOD Single : A 64 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.7) USER MOD Single : A 65 SER OG : rot -64:sc= 0.645 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.912 K(o=0.91,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0119 K(o=-0.012,f=-1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.988 K(o=0.99,f=-7.2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 61:sc= 0.705 USER MOD Single : A 107 GLN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.343 8.769 1.405 1.00 0.00 N ATOM 61 CA LYS A 5 12.108 8.722 2.205 1.00 0.00 C ATOM 62 C LYS A 5 10.870 8.908 1.305 1.00 0.00 C ATOM 63 O LYS A 5 10.819 9.824 0.476 1.00 0.00 O ATOM 64 CB LYS A 5 12.133 9.790 3.300 1.00 0.00 C ATOM 65 CG LYS A 5 10.913 9.787 4.211 1.00 0.00 C ATOM 66 CD LYS A 5 11.064 10.794 5.341 1.00 0.00 C ATOM 67 CE LYS A 5 11.965 10.258 6.444 1.00 0.00 C ATOM 68 NZ LYS A 5 11.911 11.104 7.667 1.00 0.00 N ATOM 0 HA LYS A 5 12.048 7.742 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.026 9.648 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.219 10.771 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.022 10.021 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.769 8.790 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.478 11.723 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.083 11.031 5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.666 9.240 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.992 10.209 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.728 10.889 8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.936 12.108 7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.032 10.907 8.187 1.00 0.00 H new ATOM 82 N VAL A 6 9.893 8.022 1.464 1.00 0.00 N ATOM 83 CA VAL A 6 8.541 8.194 0.912 1.00 0.00 C ATOM 84 C VAL A 6 7.564 8.253 2.088 1.00 0.00 C ATOM 85 O VAL A 6 7.792 7.610 3.123 1.00 0.00 O ATOM 86 CB VAL A 6 8.145 7.054 -0.045 1.00 0.00 C ATOM 87 CG1 VAL A 6 8.246 5.710 0.658 1.00 0.00 C ATOM 88 CG2 VAL A 6 6.735 7.272 -0.577 1.00 0.00 C ATOM 0 H VAL A 6 10.012 7.153 1.984 1.00 0.00 H new ATOM 0 HA VAL A 6 8.514 9.112 0.326 1.00 0.00 H new ATOM 0 HB VAL A 6 8.836 7.055 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.963 4.916 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.271 5.551 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.577 5.698 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.471 6.458 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.032 7.296 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.692 8.218 -1.116 1.00 0.00 H new ATOM 98 N GLU A 7 6.497 9.043 1.957 1.00 0.00 N ATOM 99 CA GLU A 7 5.379 8.995 2.902 1.00 0.00 C ATOM 100 C GLU A 7 4.211 8.283 2.218 1.00 0.00 C ATOM 101 O GLU A 7 3.787 8.647 1.113 1.00 0.00 O ATOM 102 CB GLU A 7 4.971 10.399 3.356 1.00 0.00 C ATOM 103 CG GLU A 7 5.958 11.064 4.304 1.00 0.00 C ATOM 104 CD GLU A 7 5.387 12.324 4.892 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.234 12.596 4.657 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.064 12.955 5.669 1.00 0.00 O ATOM 0 H GLU A 7 6.383 9.724 1.206 1.00 0.00 H new ATOM 0 HA GLU A 7 5.679 8.450 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.849 11.031 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.999 10.341 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.219 10.372 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.880 11.295 3.770 1.00 0.00 H new ATOM 113 N VAL A 8 3.748 7.228 2.905 1.00 0.00 N ATOM 114 CA VAL A 8 2.710 6.306 2.453 1.00 0.00 C ATOM 115 C VAL A 8 1.505 6.416 3.399 1.00 0.00 C ATOM 116 O VAL A 8 1.619 6.146 4.601 1.00 0.00 O ATOM 117 CB VAL A 8 3.209 4.849 2.410 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.083 3.914 1.993 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.388 4.719 1.458 1.00 0.00 C ATOM 0 H VAL A 8 4.106 6.989 3.830 1.00 0.00 H new ATOM 0 HA VAL A 8 2.427 6.581 1.437 1.00 0.00 H new ATOM 0 HB VAL A 8 3.540 4.567 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.452 2.889 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.265 3.987 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.724 4.195 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.728 3.684 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.081 5.018 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.201 5.362 1.796 1.00 0.00 H new ATOM 129 N GLN A 9 0.359 6.832 2.847 1.00 0.00 N ATOM 130 CA GLN A 9 -0.893 6.949 3.598 1.00 0.00 C ATOM 131 C GLN A 9 -1.775 5.747 3.246 1.00 0.00 C ATOM 132 O GLN A 9 -2.148 5.565 2.085 1.00 0.00 O ATOM 133 CB GLN A 9 -1.617 8.259 3.274 1.00 0.00 C ATOM 134 CG GLN A 9 -2.895 8.475 4.064 1.00 0.00 C ATOM 135 CD GLN A 9 -3.530 9.825 3.781 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.961 10.655 3.066 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.710 10.052 4.344 1.00 0.00 N ATOM 0 H GLN A 9 0.275 7.097 1.866 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.676 6.959 4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.940 9.092 3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.853 8.277 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.606 7.685 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.678 8.395 5.129 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.143 9.336 4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.184 10.942 4.193 1.00 0.00 H new ATOM 146 N VAL A 10 -2.073 4.912 4.252 1.00 0.00 N ATOM 147 CA VAL A 10 -2.896 3.702 4.081 1.00 0.00 C ATOM 148 C VAL A 10 -4.236 3.909 4.800 1.00 0.00 C ATOM 149 O VAL A 10 -4.263 4.170 6.001 1.00 0.00 O ATOM 150 CB VAL A 10 -2.203 2.442 4.633 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.101 1.225 4.469 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.871 2.217 3.933 1.00 0.00 C ATOM 0 H VAL A 10 -1.751 5.055 5.209 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.049 3.546 3.013 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.014 2.591 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.595 0.344 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.032 1.384 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.320 1.074 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.395 1.323 4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.039 2.089 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.223 3.078 4.098 1.00 0.00 H new ATOM 162 N LYS A 11 -5.328 3.825 4.027 1.00 0.00 N ATOM 163 CA LYS A 11 -6.702 3.967 4.516 1.00 0.00 C ATOM 164 C LYS A 11 -7.468 2.684 4.173 1.00 0.00 C ATOM 165 O LYS A 11 -7.618 2.342 2.997 1.00 0.00 O ATOM 166 CB LYS A 11 -7.385 5.191 3.905 1.00 0.00 C ATOM 167 CG LYS A 11 -8.778 5.472 4.454 1.00 0.00 C ATOM 168 CD LYS A 11 -9.346 6.764 3.885 1.00 0.00 C ATOM 169 CE LYS A 11 -10.696 7.096 4.504 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.235 8.389 4.004 1.00 0.00 N ATOM 0 H LYS A 11 -5.277 3.653 3.023 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.692 4.117 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.757 6.066 4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.454 5.053 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.441 4.642 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.736 5.538 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.649 7.582 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.452 6.672 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.404 6.298 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.597 7.140 5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.155 8.577 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.573 9.155 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.355 8.339 2.972 1.00 0.00 H new ATOM 184 N ILE A 12 -7.957 1.974 5.198 1.00 0.00 N ATOM 185 CA ILE A 12 -8.676 0.705 5.002 1.00 0.00 C ATOM 186 C ILE A 12 -10.073 0.745 5.645 1.00 0.00 C ATOM 187 O ILE A 12 -10.231 1.157 6.796 1.00 0.00 O ATOM 188 CB ILE A 12 -7.838 -0.525 5.524 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.614 -1.856 5.262 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.426 -0.374 7.011 1.00 0.00 C ATOM 191 CD1 ILE A 12 -7.795 -3.109 5.445 1.00 0.00 C ATOM 0 H ILE A 12 -7.868 2.256 6.174 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.812 0.573 3.929 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.905 -0.556 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.472 -1.898 5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.005 -1.839 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.852 -1.247 7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.817 0.522 7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.320 -0.290 7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.415 -3.982 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.951 -3.096 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.426 -3.156 6.470 1.00 0.00 H new ATOM 203 N THR A 13 -11.085 0.287 4.884 1.00 0.00 N ATOM 204 CA THR A 13 -12.457 0.144 5.368 1.00 0.00 C ATOM 205 C THR A 13 -12.785 -1.360 5.454 1.00 0.00 C ATOM 206 O THR A 13 -12.473 -2.125 4.535 1.00 0.00 O ATOM 207 CB THR A 13 -13.471 0.853 4.453 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.174 2.254 4.402 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.887 0.658 4.975 1.00 0.00 C ATOM 0 H THR A 13 -10.965 0.006 3.911 1.00 0.00 H new ATOM 0 HA THR A 13 -12.532 0.614 6.349 1.00 0.00 H new ATOM 0 HB THR A 13 -13.400 0.423 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.423 2.672 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.591 1.166 4.316 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.121 -0.406 5.004 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.965 1.074 5.979 1.00 0.00 H new ATOM 217 N CYS A 14 -13.368 -1.760 6.586 1.00 0.00 N ATOM 218 CA CYS A 14 -13.655 -3.166 6.927 1.00 0.00 C ATOM 219 C CYS A 14 -15.112 -3.255 7.423 1.00 0.00 C ATOM 220 O CYS A 14 -15.398 -2.851 8.558 1.00 0.00 O ATOM 221 CB CYS A 14 -12.669 -3.628 8.018 1.00 0.00 C ATOM 222 SG CYS A 14 -12.716 -5.397 8.495 1.00 0.00 S ATOM 0 H CYS A 14 -13.662 -1.106 7.311 1.00 0.00 H new ATOM 0 HA CYS A 14 -13.534 -3.814 6.059 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.659 -3.396 7.681 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.851 -3.032 8.912 1.00 0.00 H new ATOM 227 N ASN A 15 -16.014 -3.751 6.537 1.00 0.00 N ATOM 228 CA ASN A 15 -17.482 -3.790 6.743 1.00 0.00 C ATOM 229 C ASN A 15 -18.085 -2.371 6.588 1.00 0.00 C ATOM 230 O ASN A 15 -18.861 -2.116 5.657 1.00 0.00 O ATOM 231 CB ASN A 15 -17.845 -4.374 8.097 1.00 0.00 C ATOM 232 CG ASN A 15 -19.312 -4.655 8.262 1.00 0.00 C ATOM 233 OD1 ASN A 15 -20.044 -4.839 7.282 1.00 0.00 O ATOM 234 ND2 ASN A 15 -19.762 -4.609 9.490 1.00 0.00 N ATOM 0 H ASN A 15 -15.732 -4.144 5.639 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.905 -4.442 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.288 -5.300 8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.527 -3.683 8.878 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -20.758 -4.728 9.673 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -19.116 -4.455 10.264 1.00 0.00 H new ATOM 241 N GLY A 16 -17.710 -1.467 7.497 1.00 0.00 N ATOM 242 CA GLY A 16 -18.131 -0.060 7.455 1.00 0.00 C ATOM 243 C GLY A 16 -17.262 0.808 8.355 1.00 0.00 C ATOM 244 O GLY A 16 -17.526 2.003 8.523 1.00 0.00 O ATOM 0 H GLY A 16 -17.104 -1.689 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.076 0.307 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.173 0.019 7.767 1.00 0.00 H new ATOM 248 N LYS A 17 -16.225 0.193 8.960 1.00 0.00 N ATOM 249 CA LYS A 17 -15.304 0.855 9.894 1.00 0.00 C ATOM 250 C LYS A 17 -13.981 1.164 9.171 1.00 0.00 C ATOM 251 O LYS A 17 -13.392 0.279 8.546 1.00 0.00 O ATOM 252 CB LYS A 17 -15.052 -0.016 11.127 1.00 0.00 C ATOM 253 CG LYS A 17 -14.104 0.597 12.148 1.00 0.00 C ATOM 254 CD LYS A 17 -14.785 1.701 12.943 1.00 0.00 C ATOM 255 CE LYS A 17 -13.835 2.320 13.958 1.00 0.00 C ATOM 256 NZ LYS A 17 -13.454 1.355 15.024 1.00 0.00 N ATOM 0 H LYS A 17 -16.005 -0.791 8.808 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.756 1.786 10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.006 -0.221 11.613 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.647 -0.974 10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.749 -0.177 12.828 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.229 1.000 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.146 2.472 12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.657 1.297 13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.938 2.670 13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.306 3.193 14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.919 1.850 15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.312 0.937 15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.864 0.602 14.616 1.00 0.00 H new ATOM 270 N THR A 18 -13.529 2.425 9.258 1.00 0.00 N ATOM 271 CA THR A 18 -12.390 2.939 8.482 1.00 0.00 C ATOM 272 C THR A 18 -11.220 3.265 9.433 1.00 0.00 C ATOM 273 O THR A 18 -11.406 3.940 10.450 1.00 0.00 O ATOM 274 CB THR A 18 -12.765 4.197 7.676 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.812 3.879 6.750 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.558 4.720 6.912 1.00 0.00 C ATOM 0 H THR A 18 -13.947 3.122 9.874 1.00 0.00 H new ATOM 0 HA THR A 18 -12.094 2.165 7.774 1.00 0.00 H new ATOM 0 HB THR A 18 -13.105 4.967 8.369 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.051 4.680 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.841 5.609 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.764 4.974 7.615 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.202 3.953 6.225 1.00 0.00 H new ATOM 284 N TYR A 19 -10.027 2.751 9.102 1.00 0.00 N ATOM 285 CA TYR A 19 -8.773 3.034 9.815 1.00 0.00 C ATOM 286 C TYR A 19 -7.775 3.639 8.816 1.00 0.00 C ATOM 287 O TYR A 19 -7.523 3.046 7.760 1.00 0.00 O ATOM 288 CB TYR A 19 -8.201 1.715 10.426 1.00 0.00 C ATOM 289 CG TYR A 19 -9.136 0.984 11.409 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.176 0.170 10.946 1.00 0.00 C ATOM 291 CD2 TYR A 19 -8.994 1.115 12.795 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.027 -0.471 11.812 1.00 0.00 C ATOM 293 CE2 TYR A 19 -9.857 0.472 13.667 1.00 0.00 C ATOM 294 CZ TYR A 19 -10.870 -0.318 13.168 1.00 0.00 C ATOM 295 OH TYR A 19 -11.753 -0.939 14.026 1.00 0.00 O ATOM 0 H TYR A 19 -9.904 2.114 8.315 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.951 3.737 10.629 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.954 1.034 9.611 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.269 1.947 10.941 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.312 0.043 9.882 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.198 1.728 13.191 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.820 -1.095 11.427 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.737 0.589 14.734 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.507 -0.735 14.952 1.00 0.00 H new ATOM 305 N GLU A 20 -7.234 4.827 9.134 1.00 0.00 N ATOM 306 CA GLU A 20 -6.281 5.541 8.254 1.00 0.00 C ATOM 307 C GLU A 20 -5.026 5.931 9.046 1.00 0.00 C ATOM 308 O GLU A 20 -5.131 6.290 10.222 1.00 0.00 O ATOM 309 CB GLU A 20 -6.928 6.785 7.641 1.00 0.00 C ATOM 310 CG GLU A 20 -7.340 7.844 8.655 1.00 0.00 C ATOM 311 CD GLU A 20 -8.016 9.007 7.985 1.00 0.00 C ATOM 312 OE1 GLU A 20 -8.224 8.946 6.797 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.427 9.907 8.677 1.00 0.00 O ATOM 0 H GLU A 20 -7.441 5.321 10.002 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.997 4.872 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.230 7.230 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.808 6.480 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.013 7.404 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.461 8.194 9.196 1.00 0.00 H new ATOM 320 N ARG A 21 -3.840 5.822 8.409 1.00 0.00 N ATOM 321 CA ARG A 21 -2.560 6.242 9.019 1.00 0.00 C ATOM 322 C ARG A 21 -1.488 6.498 7.950 1.00 0.00 C ATOM 323 O ARG A 21 -1.374 5.740 6.986 1.00 0.00 O ATOM 324 CB ARG A 21 -2.069 5.253 10.066 1.00 0.00 C ATOM 325 CG ARG A 21 -0.882 5.729 10.888 1.00 0.00 C ATOM 326 CD ARG A 21 -0.508 4.824 12.005 1.00 0.00 C ATOM 327 NE ARG A 21 0.668 5.242 12.752 1.00 0.00 N ATOM 328 CZ ARG A 21 0.999 4.786 13.975 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.231 3.930 14.610 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.108 5.242 14.532 1.00 0.00 N ATOM 0 H ARG A 21 -3.743 5.444 7.467 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.750 7.183 9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.892 5.023 10.742 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.797 4.323 9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.022 5.847 10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.109 6.714 11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.351 4.748 12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.332 3.826 11.604 1.00 0.00 H new ATOM 0 HE ARG A 21 1.285 5.929 12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.632 3.600 14.177 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.497 3.595 15.536 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.686 5.920 14.036 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.385 4.915 15.458 1.00 0.00 H new ATOM 344 N THR A 22 -0.706 7.573 8.161 1.00 0.00 N ATOM 345 CA THR A 22 0.425 7.960 7.314 1.00 0.00 C ATOM 346 C THR A 22 1.741 7.433 7.936 1.00 0.00 C ATOM 347 O THR A 22 1.975 7.597 9.138 1.00 0.00 O ATOM 348 CB THR A 22 0.508 9.487 7.136 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.688 9.963 6.505 1.00 0.00 O ATOM 350 CG2 THR A 22 1.709 9.860 6.282 1.00 0.00 C ATOM 0 H THR A 22 -0.851 8.208 8.946 1.00 0.00 H new ATOM 0 HA THR A 22 0.275 7.519 6.329 1.00 0.00 H new ATOM 0 HB THR A 22 0.617 9.946 8.118 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.635 10.935 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.751 10.943 6.167 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.621 9.510 6.765 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.616 9.394 5.301 1.00 0.00 H new ATOM 358 N TYR A 23 2.572 6.783 7.111 1.00 0.00 N ATOM 359 CA TYR A 23 3.832 6.153 7.552 1.00 0.00 C ATOM 360 C TYR A 23 5.007 6.753 6.762 1.00 0.00 C ATOM 361 O TYR A 23 4.849 7.116 5.597 1.00 0.00 O ATOM 362 CB TYR A 23 3.792 4.615 7.318 1.00 0.00 C ATOM 363 CG TYR A 23 2.629 3.879 8.003 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.367 3.797 7.406 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.803 3.245 9.238 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.326 3.121 8.015 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.765 2.568 9.851 1.00 0.00 C ATOM 368 CZ TYR A 23 0.531 2.507 9.239 1.00 0.00 C ATOM 369 OH TYR A 23 -0.506 1.839 9.858 1.00 0.00 O ATOM 0 H TYR A 23 2.392 6.677 6.113 1.00 0.00 H new ATOM 0 HA TYR A 23 3.960 6.343 8.618 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.738 4.428 6.246 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.730 4.186 7.670 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.202 4.271 6.450 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.768 3.285 9.722 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.642 3.072 7.539 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.920 2.088 10.806 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.193 1.465 10.708 1.00 0.00 H new ATOM 379 N GLN A 24 6.179 6.849 7.402 1.00 0.00 N ATOM 380 CA GLN A 24 7.426 7.276 6.740 1.00 0.00 C ATOM 381 C GLN A 24 8.295 6.024 6.520 1.00 0.00 C ATOM 382 O GLN A 24 8.619 5.315 7.482 1.00 0.00 O ATOM 383 CB GLN A 24 8.179 8.312 7.581 1.00 0.00 C ATOM 384 CG GLN A 24 7.430 9.619 7.773 1.00 0.00 C ATOM 385 CD GLN A 24 8.220 10.622 8.593 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.401 10.415 8.884 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.569 11.716 8.975 1.00 0.00 N ATOM 0 H GLN A 24 6.293 6.634 8.392 1.00 0.00 H new ATOM 0 HA GLN A 24 7.192 7.751 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.395 7.882 8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.138 8.522 7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.201 10.050 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.478 9.420 8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.592 11.846 8.712 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.046 12.425 9.531 1.00 0.00 H new ATOM 396 N LEU A 25 8.642 5.740 5.251 1.00 0.00 N ATOM 397 CA LEU A 25 9.515 4.608 4.878 1.00 0.00 C ATOM 398 C LEU A 25 10.824 5.148 4.295 1.00 0.00 C ATOM 399 O LEU A 25 10.830 5.806 3.253 1.00 0.00 O ATOM 400 CB LEU A 25 8.814 3.686 3.873 1.00 0.00 C ATOM 401 CG LEU A 25 7.485 3.089 4.351 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.923 2.150 3.292 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.701 2.354 5.665 1.00 0.00 C ATOM 0 H LEU A 25 8.325 6.290 4.452 1.00 0.00 H new ATOM 0 HA LEU A 25 9.735 4.020 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.633 4.246 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.491 2.870 3.620 1.00 0.00 H new ATOM 0 HG LEU A 25 6.764 3.890 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.979 1.731 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.755 2.703 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.632 1.343 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.756 1.930 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.426 1.554 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.076 3.051 6.415 1.00 0.00 H new ATOM 415 N TYR A 26 11.929 4.863 4.995 1.00 0.00 N ATOM 416 CA TYR A 26 13.284 5.274 4.610 1.00 0.00 C ATOM 417 C TYR A 26 14.090 4.029 4.212 1.00 0.00 C ATOM 418 O TYR A 26 14.396 3.191 5.071 1.00 0.00 O ATOM 419 CB TYR A 26 13.975 6.024 5.751 1.00 0.00 C ATOM 420 CG TYR A 26 15.277 6.683 5.352 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.291 7.956 4.798 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.488 6.033 5.532 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.476 8.562 4.431 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.680 6.630 5.169 1.00 0.00 C ATOM 425 CZ TYR A 26 17.670 7.895 4.619 1.00 0.00 C ATOM 426 OH TYR A 26 18.854 8.495 4.257 1.00 0.00 O ATOM 0 H TYR A 26 11.905 4.329 5.864 1.00 0.00 H new ATOM 0 HA TYR A 26 13.224 5.955 3.761 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.297 6.786 6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.167 5.327 6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.359 8.481 4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.500 5.043 5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.469 9.552 3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.615 6.109 5.315 1.00 0.00 H new ATOM 0 HH TYR A 26 19.601 7.892 4.457 1.00 0.00 H new ATOM 436 N ALA A 27 14.429 3.910 2.921 1.00 0.00 N ATOM 437 CA ALA A 27 15.004 2.679 2.354 1.00 0.00 C ATOM 438 C ALA A 27 16.120 3.017 1.371 1.00 0.00 C ATOM 439 O ALA A 27 16.130 4.097 0.767 1.00 0.00 O ATOM 440 CB ALA A 27 13.922 1.836 1.665 1.00 0.00 C ATOM 0 H ALA A 27 14.313 4.661 2.241 1.00 0.00 H new ATOM 0 HA ALA A 27 15.424 2.092 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.372 0.932 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.156 1.563 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.468 2.414 0.860 1.00 0.00 H new ATOM 446 N VAL A 28 17.056 2.070 1.234 1.00 0.00 N ATOM 447 CA VAL A 28 18.205 2.181 0.335 1.00 0.00 C ATOM 448 C VAL A 28 17.864 1.524 -1.022 1.00 0.00 C ATOM 449 O VAL A 28 18.112 2.100 -2.087 1.00 0.00 O ATOM 450 CB VAL A 28 19.464 1.522 0.930 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.630 1.626 -0.042 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.822 2.163 2.262 1.00 0.00 C ATOM 0 H VAL A 28 17.034 1.193 1.754 1.00 0.00 H new ATOM 0 HA VAL A 28 18.420 3.240 0.195 1.00 0.00 H new ATOM 0 HB VAL A 28 19.252 0.467 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.511 1.155 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.373 1.122 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.842 2.676 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.714 1.685 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.015 3.226 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.994 2.038 2.960 1.00 0.00 H new ATOM 462 N ARG A 29 17.234 0.329 -0.953 1.00 0.00 N ATOM 463 CA ARG A 29 16.904 -0.501 -2.138 1.00 0.00 C ATOM 464 C ARG A 29 15.372 -0.638 -2.325 1.00 0.00 C ATOM 465 O ARG A 29 14.602 -0.495 -1.361 1.00 0.00 O ATOM 466 CB ARG A 29 17.583 -1.861 -2.089 1.00 0.00 C ATOM 467 CG ARG A 29 19.099 -1.824 -2.189 1.00 0.00 C ATOM 468 CD ARG A 29 19.768 -3.099 -1.825 1.00 0.00 C ATOM 469 NE ARG A 29 19.615 -3.483 -0.431 1.00 0.00 N ATOM 470 CZ ARG A 29 19.965 -4.681 0.076 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.452 -5.627 -0.697 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.785 -4.890 1.368 1.00 0.00 N ATOM 0 H ARG A 29 16.938 -0.090 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 29 17.297 0.020 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.307 -2.355 -1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.195 -2.474 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.378 -1.560 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.475 -1.032 -1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.371 -3.896 -2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.831 -3.014 -2.051 1.00 0.00 H new ATOM 0 HE ARG A 29 19.214 -2.797 0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.570 -5.459 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.712 -6.529 -0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.390 -4.154 1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.041 -5.787 1.780 1.00 0.00 H new ATOM 486 N ASP A 30 14.960 -0.932 -3.583 1.00 0.00 N ATOM 487 CA ASP A 30 13.541 -1.143 -3.979 1.00 0.00 C ATOM 488 C ASP A 30 12.909 -2.313 -3.216 1.00 0.00 C ATOM 489 O ASP A 30 11.749 -2.238 -2.795 1.00 0.00 O ATOM 490 CB ASP A 30 13.428 -1.391 -5.485 1.00 0.00 C ATOM 491 CG ASP A 30 13.649 -0.154 -6.344 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.660 0.927 -5.804 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.961 -0.307 -7.501 1.00 0.00 O ATOM 0 H ASP A 30 15.610 -1.031 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 30 12.998 -0.233 -3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.154 -2.152 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.440 -1.797 -5.701 1.00 0.00 H new ATOM 498 N GLU A 31 13.694 -3.396 -3.059 1.00 0.00 N ATOM 499 CA GLU A 31 13.273 -4.603 -2.323 1.00 0.00 C ATOM 500 C GLU A 31 13.067 -4.307 -0.829 1.00 0.00 C ATOM 501 O GLU A 31 12.158 -4.865 -0.197 1.00 0.00 O ATOM 502 CB GLU A 31 14.302 -5.722 -2.499 1.00 0.00 C ATOM 503 CG GLU A 31 14.309 -6.359 -3.881 1.00 0.00 C ATOM 504 CD GLU A 31 12.950 -6.889 -4.244 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.362 -7.567 -3.437 1.00 0.00 O ATOM 506 OE2 GLU A 31 12.451 -6.524 -5.283 1.00 0.00 O ATOM 0 H GLU A 31 14.638 -3.458 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 31 12.319 -4.927 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.295 -5.322 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.109 -6.496 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.625 -5.624 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.037 -7.170 -3.907 1.00 0.00 H new ATOM 513 N GLU A 32 13.895 -3.395 -0.284 1.00 0.00 N ATOM 514 CA GLU A 32 13.783 -2.942 1.107 1.00 0.00 C ATOM 515 C GLU A 32 12.465 -2.172 1.336 1.00 0.00 C ATOM 516 O GLU A 32 11.817 -2.361 2.352 1.00 0.00 O ATOM 517 CB GLU A 32 14.979 -2.066 1.482 1.00 0.00 C ATOM 518 CG GLU A 32 16.304 -2.811 1.560 1.00 0.00 C ATOM 519 CD GLU A 32 17.455 -1.861 1.748 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.226 -0.675 1.756 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.544 -2.321 1.996 1.00 0.00 O ATOM 0 H GLU A 32 14.658 -2.955 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 32 13.778 -3.824 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.070 -1.264 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.782 -1.597 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.277 -3.521 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.452 -3.390 0.648 1.00 0.00 H new ATOM 528 N LEU A 33 12.093 -1.290 0.387 1.00 0.00 N ATOM 529 CA LEU A 33 10.822 -0.531 0.452 1.00 0.00 C ATOM 530 C LEU A 33 9.619 -1.509 0.335 1.00 0.00 C ATOM 531 O LEU A 33 8.614 -1.337 1.025 1.00 0.00 O ATOM 532 CB LEU A 33 10.779 0.574 -0.671 1.00 0.00 C ATOM 533 CG LEU A 33 9.972 1.898 -0.348 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.473 1.645 -0.080 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.603 2.677 0.827 1.00 0.00 C ATOM 0 H LEU A 33 12.656 -1.083 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 33 10.756 -0.022 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.805 0.853 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.352 0.128 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 33 10.037 2.509 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.977 2.592 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.018 1.188 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.364 0.976 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.022 3.579 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.606 2.050 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.627 2.952 0.573 1.00 0.00 H new ATOM 547 N LYS A 34 9.762 -2.543 -0.531 1.00 0.00 N ATOM 548 CA LYS A 34 8.718 -3.578 -0.778 1.00 0.00 C ATOM 549 C LYS A 34 8.283 -4.295 0.515 1.00 0.00 C ATOM 550 O LYS A 34 7.091 -4.339 0.829 1.00 0.00 O ATOM 551 CB LYS A 34 9.219 -4.611 -1.790 1.00 0.00 C ATOM 552 CG LYS A 34 8.983 -4.230 -3.245 1.00 0.00 C ATOM 553 CD LYS A 34 9.615 -5.240 -4.191 1.00 0.00 C ATOM 554 CE LYS A 34 8.896 -6.580 -4.129 1.00 0.00 C ATOM 555 NZ LYS A 34 9.434 -7.450 -3.049 1.00 0.00 N ATOM 0 H LYS A 34 10.608 -2.686 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 34 7.848 -3.058 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.287 -4.765 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.728 -5.564 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.912 -4.169 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.398 -3.240 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.585 -4.855 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.665 -5.376 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.832 -6.413 -3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.994 -7.089 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.518 -8.426 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.371 -7.104 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.790 -7.429 -2.233 1.00 0.00 H new ATOM 569 N GLU A 35 9.271 -4.855 1.238 1.00 0.00 N ATOM 570 CA GLU A 35 9.051 -5.542 2.532 1.00 0.00 C ATOM 571 C GLU A 35 8.529 -4.570 3.620 1.00 0.00 C ATOM 572 O GLU A 35 7.751 -4.966 4.490 1.00 0.00 O ATOM 573 CB GLU A 35 10.346 -6.208 3.005 1.00 0.00 C ATOM 574 CG GLU A 35 11.512 -5.249 3.198 1.00 0.00 C ATOM 575 CD GLU A 35 12.747 -5.976 3.655 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.700 -7.178 3.764 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.769 -5.344 3.786 1.00 0.00 O ATOM 0 H GLU A 35 10.248 -4.846 0.944 1.00 0.00 H new ATOM 0 HA GLU A 35 8.288 -6.304 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.153 -6.721 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.634 -6.970 2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.718 -4.730 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.243 -4.488 3.931 1.00 0.00 H new ATOM 584 N LYS A 36 8.958 -3.295 3.533 1.00 0.00 N ATOM 585 CA LYS A 36 8.470 -2.215 4.412 1.00 0.00 C ATOM 586 C LYS A 36 6.976 -1.947 4.170 1.00 0.00 C ATOM 587 O LYS A 36 6.229 -1.769 5.116 1.00 0.00 O ATOM 588 CB LYS A 36 9.276 -0.934 4.195 1.00 0.00 C ATOM 589 CG LYS A 36 10.659 -0.946 4.833 1.00 0.00 C ATOM 590 CD LYS A 36 11.423 0.332 4.520 1.00 0.00 C ATOM 591 CE LYS A 36 12.848 0.269 5.050 1.00 0.00 C ATOM 592 NZ LYS A 36 12.888 0.232 6.537 1.00 0.00 N ATOM 0 H LYS A 36 9.652 -2.986 2.852 1.00 0.00 H new ATOM 0 HA LYS A 36 8.602 -2.538 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.385 -0.765 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.712 -0.092 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.563 -1.060 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.222 -1.807 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.441 0.493 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.906 1.184 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.344 -0.616 4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.406 1.135 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.875 0.292 6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.350 1.036 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.468 -0.658 6.874 1.00 0.00 H new ATOM 606 N LEU A 37 6.577 -1.924 2.885 1.00 0.00 N ATOM 607 CA LEU A 37 5.166 -1.768 2.470 1.00 0.00 C ATOM 608 C LEU A 37 4.308 -2.943 2.979 1.00 0.00 C ATOM 609 O LEU A 37 3.168 -2.738 3.391 1.00 0.00 O ATOM 610 CB LEU A 37 5.069 -1.657 0.943 1.00 0.00 C ATOM 611 CG LEU A 37 5.571 -0.334 0.351 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.723 -0.462 -1.159 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.600 0.782 0.703 1.00 0.00 C ATOM 0 H LEU A 37 7.224 -2.013 2.101 1.00 0.00 H new ATOM 0 HA LEU A 37 4.780 -0.850 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.637 -2.474 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.028 -1.796 0.650 1.00 0.00 H new ATOM 0 HG LEU A 37 6.547 -0.094 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.080 0.482 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.440 -1.251 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.758 -0.709 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.958 1.722 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.617 0.552 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.529 0.874 1.787 1.00 0.00 H new ATOM 625 N LYS A 38 4.873 -4.170 2.938 1.00 0.00 N ATOM 626 CA LYS A 38 4.244 -5.378 3.510 1.00 0.00 C ATOM 627 C LYS A 38 4.019 -5.228 5.032 1.00 0.00 C ATOM 628 O LYS A 38 2.948 -5.572 5.532 1.00 0.00 O ATOM 629 CB LYS A 38 5.101 -6.613 3.224 1.00 0.00 C ATOM 630 CG LYS A 38 5.120 -7.041 1.763 1.00 0.00 C ATOM 631 CD LYS A 38 6.094 -8.188 1.536 1.00 0.00 C ATOM 632 CE LYS A 38 5.555 -9.492 2.104 1.00 0.00 C ATOM 633 NZ LYS A 38 6.491 -10.627 1.876 1.00 0.00 N ATOM 0 H LYS A 38 5.780 -4.349 2.506 1.00 0.00 H new ATOM 0 HA LYS A 38 3.271 -5.503 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.123 -6.413 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.734 -7.443 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.119 -7.345 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.400 -6.194 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.280 -8.304 0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.051 -7.953 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.379 -9.376 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.593 -9.717 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.025 -11.519 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.760 -10.659 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.343 -10.497 2.458 1.00 0.00 H new ATOM 647 N LYS A 39 5.037 -4.700 5.744 1.00 0.00 N ATOM 648 CA LYS A 39 4.973 -4.468 7.207 1.00 0.00 C ATOM 649 C LYS A 39 3.874 -3.439 7.547 1.00 0.00 C ATOM 650 O LYS A 39 3.072 -3.669 8.445 1.00 0.00 O ATOM 651 CB LYS A 39 6.326 -3.989 7.739 1.00 0.00 C ATOM 652 CG LYS A 39 7.404 -5.065 7.776 1.00 0.00 C ATOM 653 CD LYS A 39 8.717 -4.514 8.312 1.00 0.00 C ATOM 654 CE LYS A 39 9.803 -5.580 8.318 1.00 0.00 C ATOM 655 NZ LYS A 39 11.099 -5.050 8.822 1.00 0.00 N ATOM 0 H LYS A 39 5.925 -4.423 5.325 1.00 0.00 H new ATOM 0 HA LYS A 39 4.726 -5.414 7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.675 -3.163 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.188 -3.595 8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.072 -5.894 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.557 -5.464 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.036 -3.670 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.569 -4.137 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.487 -6.417 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.937 -5.967 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.812 -5.807 8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.414 -4.268 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.978 -4.704 9.795 1.00 0.00 H new ATOM 669 N VAL A 40 3.850 -2.337 6.776 1.00 0.00 N ATOM 670 CA VAL A 40 2.846 -1.256 6.879 1.00 0.00 C ATOM 671 C VAL A 40 1.412 -1.770 6.611 1.00 0.00 C ATOM 672 O VAL A 40 0.489 -1.457 7.371 1.00 0.00 O ATOM 673 CB VAL A 40 3.156 -0.110 5.896 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.978 0.848 5.808 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.413 0.631 6.322 1.00 0.00 C ATOM 0 H VAL A 40 4.543 -2.167 6.047 1.00 0.00 H new ATOM 0 HA VAL A 40 2.901 -0.884 7.902 1.00 0.00 H new ATOM 0 HB VAL A 40 3.327 -0.539 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.214 1.651 5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.097 0.310 5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.778 1.270 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.617 1.437 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.269 1.049 7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.256 -0.060 6.337 1.00 0.00 H new ATOM 685 N LEU A 41 1.247 -2.577 5.546 1.00 0.00 N ATOM 686 CA LEU A 41 -0.045 -3.211 5.228 1.00 0.00 C ATOM 687 C LEU A 41 -0.474 -4.174 6.344 1.00 0.00 C ATOM 688 O LEU A 41 -1.593 -4.080 6.802 1.00 0.00 O ATOM 689 CB LEU A 41 -0.028 -3.890 3.821 1.00 0.00 C ATOM 690 CG LEU A 41 -0.255 -2.908 2.620 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.153 -3.541 1.282 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.724 -2.426 2.575 1.00 0.00 C ATOM 0 H LEU A 41 1.994 -2.805 4.890 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.800 -2.427 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.930 -4.393 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.799 -4.660 3.794 1.00 0.00 H new ATOM 0 HG LEU A 41 0.387 -2.042 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.020 -2.829 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.210 -3.806 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.441 -4.438 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.858 -1.746 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.385 -3.284 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.965 -1.908 3.503 1.00 0.00 H new ATOM 704 N ASN A 42 0.435 -5.046 6.829 1.00 0.00 N ATOM 705 CA ASN A 42 0.119 -5.982 7.945 1.00 0.00 C ATOM 706 C ASN A 42 -0.198 -5.220 9.257 1.00 0.00 C ATOM 707 O ASN A 42 -1.112 -5.603 9.990 1.00 0.00 O ATOM 708 CB ASN A 42 1.249 -6.968 8.178 1.00 0.00 C ATOM 709 CG ASN A 42 1.358 -8.026 7.115 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.400 -8.300 6.383 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.493 -8.677 7.081 1.00 0.00 N ATOM 0 H ASN A 42 1.388 -5.127 6.473 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.770 -6.538 7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.191 -6.422 8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.105 -7.450 9.145 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.618 -9.451 6.428 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.253 -8.410 7.707 1.00 0.00 H new ATOM 718 N GLU A 43 0.563 -4.141 9.532 1.00 0.00 N ATOM 719 CA GLU A 43 0.425 -3.356 10.773 1.00 0.00 C ATOM 720 C GLU A 43 -0.969 -2.710 10.843 1.00 0.00 C ATOM 721 O GLU A 43 -1.673 -2.825 11.854 1.00 0.00 O ATOM 722 CB GLU A 43 1.512 -2.281 10.860 1.00 0.00 C ATOM 723 CG GLU A 43 1.468 -1.445 12.131 1.00 0.00 C ATOM 724 CD GLU A 43 2.583 -0.437 12.159 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.354 -0.406 11.231 1.00 0.00 O ATOM 726 OE2 GLU A 43 2.599 0.377 13.052 1.00 0.00 O ATOM 0 H GLU A 43 1.286 -3.792 8.903 1.00 0.00 H new ATOM 0 HA GLU A 43 0.543 -4.032 11.620 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.488 -2.761 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.420 -1.618 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.509 -0.932 12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.542 -2.097 13.001 1.00 0.00 H new ATOM 733 N ARG A 44 -1.366 -2.057 9.737 1.00 0.00 N ATOM 734 CA ARG A 44 -2.671 -1.388 9.614 1.00 0.00 C ATOM 735 C ARG A 44 -3.827 -2.405 9.637 1.00 0.00 C ATOM 736 O ARG A 44 -4.927 -2.096 10.114 1.00 0.00 O ATOM 737 CB ARG A 44 -2.742 -0.492 8.386 1.00 0.00 C ATOM 738 CG ARG A 44 -4.003 0.352 8.282 1.00 0.00 C ATOM 739 CD ARG A 44 -4.075 1.466 9.262 1.00 0.00 C ATOM 740 NE ARG A 44 -4.490 1.067 10.598 1.00 0.00 N ATOM 741 CZ ARG A 44 -4.733 1.922 11.611 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.569 3.218 11.457 1.00 0.00 N ATOM 743 NH2 ARG A 44 -5.118 1.422 12.771 1.00 0.00 N ATOM 0 H ARG A 44 -0.788 -1.979 8.900 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.781 -0.741 10.485 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.877 0.171 8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.664 -1.115 7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.068 0.764 7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.871 -0.293 8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.096 1.941 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.770 2.218 8.888 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.605 0.070 10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.254 3.589 10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.757 3.852 12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.224 0.414 12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.309 2.044 13.556 1.00 0.00 H new ATOM 757 N MET A 45 -3.560 -3.635 9.145 1.00 0.00 N ATOM 758 CA MET A 45 -4.578 -4.696 9.021 1.00 0.00 C ATOM 759 C MET A 45 -4.635 -5.593 10.263 1.00 0.00 C ATOM 760 O MET A 45 -5.500 -6.477 10.340 1.00 0.00 O ATOM 761 CB MET A 45 -4.304 -5.543 7.781 1.00 0.00 C ATOM 762 CG MET A 45 -4.511 -4.813 6.461 1.00 0.00 C ATOM 763 SD MET A 45 -4.200 -5.865 5.029 1.00 0.00 S ATOM 764 CE MET A 45 -5.595 -6.984 5.122 1.00 0.00 C ATOM 0 H MET A 45 -2.634 -3.917 8.824 1.00 0.00 H new ATOM 0 HA MET A 45 -5.547 -4.206 8.926 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.277 -5.906 7.824 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.953 -6.418 7.803 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.533 -4.436 6.415 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.850 -3.947 6.421 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.709 -7.503 4.171 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.425 -7.712 5.915 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.502 -6.418 5.337 1.00 0.00 H new ATOM 774 N ASP A 46 -3.737 -5.359 11.226 1.00 0.00 N ATOM 775 CA ASP A 46 -3.763 -6.051 12.530 1.00 0.00 C ATOM 776 C ASP A 46 -5.177 -5.942 13.195 1.00 0.00 C ATOM 777 O ASP A 46 -5.760 -6.983 13.531 1.00 0.00 O ATOM 778 CB ASP A 46 -2.689 -5.475 13.458 1.00 0.00 C ATOM 779 CG ASP A 46 -1.275 -5.951 13.153 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.133 -6.891 12.407 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.349 -5.280 13.541 1.00 0.00 O ATOM 0 H ASP A 46 -2.974 -4.689 11.130 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.551 -7.107 12.360 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.715 -4.387 13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.935 -5.739 14.487 1.00 0.00 H new ATOM 786 N PRO A 47 -5.787 -4.705 13.364 1.00 0.00 N ATOM 787 CA PRO A 47 -7.159 -4.577 13.939 1.00 0.00 C ATOM 788 C PRO A 47 -8.258 -5.080 12.968 1.00 0.00 C ATOM 789 O PRO A 47 -9.375 -5.359 13.383 1.00 0.00 O ATOM 790 CB PRO A 47 -7.299 -3.078 14.227 1.00 0.00 C ATOM 791 CG PRO A 47 -6.396 -2.423 13.240 1.00 0.00 C ATOM 792 CD PRO A 47 -5.211 -3.343 13.111 1.00 0.00 C ATOM 0 HA PRO A 47 -7.287 -5.191 14.830 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.330 -2.745 14.104 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.007 -2.841 15.250 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.895 -2.288 12.280 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.091 -1.434 13.583 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.759 -3.277 12.121 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.433 -3.097 13.834 1.00 0.00 H new ATOM 800 N ILE A 48 -7.884 -5.228 11.682 1.00 0.00 N ATOM 801 CA ILE A 48 -8.800 -5.594 10.582 1.00 0.00 C ATOM 802 C ILE A 48 -9.050 -7.117 10.537 1.00 0.00 C ATOM 803 O ILE A 48 -10.151 -7.559 10.185 1.00 0.00 O ATOM 804 CB ILE A 48 -8.207 -5.099 9.219 1.00 0.00 C ATOM 805 CG1 ILE A 48 -7.970 -3.552 9.243 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.053 -5.531 8.005 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.200 -2.699 9.443 1.00 0.00 C ATOM 0 H ILE A 48 -6.921 -5.095 11.373 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.760 -5.109 10.759 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.240 -5.588 9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.261 -3.325 10.039 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.499 -3.262 8.304 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.593 -5.159 7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.107 -6.619 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.059 -5.121 8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.917 -1.646 9.443 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.907 -2.885 8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.665 -2.949 10.396 1.00 0.00 H new ATOM 819 N LYS A 49 -8.018 -7.914 10.895 1.00 0.00 N ATOM 820 CA LYS A 49 -8.128 -9.390 10.905 1.00 0.00 C ATOM 821 C LYS A 49 -9.064 -9.827 12.046 1.00 0.00 C ATOM 822 O LYS A 49 -9.802 -10.807 11.918 1.00 0.00 O ATOM 823 CB LYS A 49 -6.752 -10.042 11.062 1.00 0.00 C ATOM 824 CG LYS A 49 -5.858 -9.926 9.836 1.00 0.00 C ATOM 825 CD LYS A 49 -4.465 -10.474 10.113 1.00 0.00 C ATOM 826 CE LYS A 49 -3.638 -10.557 8.839 1.00 0.00 C ATOM 827 NZ LYS A 49 -2.307 -11.177 9.078 1.00 0.00 N ATOM 0 H LYS A 49 -7.104 -7.562 11.179 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.544 -9.717 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.243 -9.588 11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.888 -11.097 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.306 -10.469 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.787 -8.881 9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.958 -9.835 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.544 -11.464 10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.180 -11.138 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.503 -9.556 8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.776 -11.214 8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.779 -10.609 9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.434 -12.142 9.446 1.00 0.00 H new ATOM 841 N LYS A 50 -9.022 -9.055 13.153 1.00 0.00 N ATOM 842 CA LYS A 50 -9.914 -9.217 14.314 1.00 0.00 C ATOM 843 C LYS A 50 -11.392 -8.980 13.913 1.00 0.00 C ATOM 844 O LYS A 50 -12.310 -9.493 14.571 1.00 0.00 O ATOM 845 CB LYS A 50 -9.509 -8.262 15.438 1.00 0.00 C ATOM 846 CG LYS A 50 -10.412 -8.311 16.662 1.00 0.00 C ATOM 847 CD LYS A 50 -9.928 -7.359 17.746 1.00 0.00 C ATOM 848 CE LYS A 50 -10.024 -5.909 17.292 1.00 0.00 C ATOM 849 NZ LYS A 50 -9.643 -4.961 18.374 1.00 0.00 N ATOM 0 H LYS A 50 -8.356 -8.291 13.264 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.818 -10.241 14.674 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.489 -8.494 15.745 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.501 -7.244 15.048 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.431 -8.051 16.375 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.441 -9.327 17.054 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.523 -7.500 18.649 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.895 -7.594 18.005 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.375 -5.755 16.430 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.042 -5.697 16.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.722 -3.985 18.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.278 -5.089 19.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.662 -5.145 18.668 1.00 0.00 H new ATOM 863 N LEU A 51 -11.615 -8.220 12.824 1.00 0.00 N ATOM 864 CA LEU A 51 -12.975 -7.837 12.397 1.00 0.00 C ATOM 865 C LEU A 51 -13.519 -8.907 11.432 1.00 0.00 C ATOM 866 O LEU A 51 -14.701 -9.267 11.489 1.00 0.00 O ATOM 867 CB LEU A 51 -12.972 -6.455 11.733 1.00 0.00 C ATOM 868 CG LEU A 51 -12.498 -5.302 12.626 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.414 -4.015 11.818 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.453 -5.141 13.800 1.00 0.00 C ATOM 0 H LEU A 51 -10.873 -7.859 12.225 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.622 -7.777 13.272 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.334 -6.495 10.850 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.982 -6.234 11.387 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.504 -5.527 13.012 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.076 -3.203 12.462 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.708 -4.146 10.998 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.398 -3.774 11.415 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.115 -4.321 14.434 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.454 -4.923 13.428 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.475 -6.063 14.380 1.00 0.00 H new ATOM 882 N GLY A 52 -12.607 -9.439 10.589 1.00 0.00 N ATOM 883 CA GLY A 52 -12.910 -10.551 9.696 1.00 0.00 C ATOM 884 C GLY A 52 -14.041 -10.216 8.738 1.00 0.00 C ATOM 885 O GLY A 52 -14.995 -10.978 8.610 1.00 0.00 O ATOM 0 H GLY A 52 -11.647 -9.103 10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.018 -10.813 9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.181 -11.427 10.286 1.00 0.00 H new ATOM 889 N CYS A 53 -13.949 -9.043 8.098 1.00 0.00 N ATOM 890 CA CYS A 53 -15.019 -8.509 7.242 1.00 0.00 C ATOM 891 C CYS A 53 -15.169 -9.304 5.940 1.00 0.00 C ATOM 892 O CYS A 53 -14.181 -9.834 5.404 1.00 0.00 O ATOM 893 CB CYS A 53 -14.739 -7.035 6.945 1.00 0.00 C ATOM 894 SG CYS A 53 -14.632 -6.034 8.461 1.00 0.00 S ATOM 0 H CYS A 53 -13.131 -8.437 8.158 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.963 -8.604 7.778 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -13.805 -6.950 6.389 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -15.528 -6.639 6.306 1.00 0.00 H new ATOM 899 N LYS A 54 -16.423 -9.363 5.448 1.00 0.00 N ATOM 900 CA LYS A 54 -16.778 -10.042 4.188 1.00 0.00 C ATOM 901 C LYS A 54 -15.855 -9.569 3.057 1.00 0.00 C ATOM 902 O LYS A 54 -15.431 -10.360 2.224 1.00 0.00 O ATOM 903 CB LYS A 54 -18.241 -9.784 3.824 1.00 0.00 C ATOM 904 CG LYS A 54 -18.700 -10.468 2.542 1.00 0.00 C ATOM 905 CD LYS A 54 -20.179 -10.223 2.285 1.00 0.00 C ATOM 906 CE LYS A 54 -20.631 -10.875 0.985 1.00 0.00 C ATOM 907 NZ LYS A 54 -22.077 -10.646 0.721 1.00 0.00 N ATOM 0 H LYS A 54 -17.222 -8.938 5.918 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.647 -11.115 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.872 -10.120 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.394 -8.709 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.116 -10.097 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.513 -11.540 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -20.765 -10.618 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -20.370 -9.151 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.044 -10.478 0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -20.436 -11.946 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -22.344 -11.106 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -22.640 -11.047 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -22.260 -9.624 0.653 1.00 0.00 H new ATOM 921 N ARG A 55 -15.567 -8.261 3.052 1.00 0.00 N ATOM 922 CA ARG A 55 -14.705 -7.603 2.056 1.00 0.00 C ATOM 923 C ARG A 55 -14.151 -6.294 2.639 1.00 0.00 C ATOM 924 O ARG A 55 -14.821 -5.617 3.425 1.00 0.00 O ATOM 925 CB ARG A 55 -15.411 -7.376 0.726 1.00 0.00 C ATOM 926 CG ARG A 55 -14.518 -6.863 -0.392 1.00 0.00 C ATOM 927 CD ARG A 55 -15.136 -6.915 -1.741 1.00 0.00 C ATOM 928 NE ARG A 55 -16.278 -6.032 -1.916 1.00 0.00 N ATOM 929 CZ ARG A 55 -17.020 -5.953 -3.038 1.00 0.00 C ATOM 930 NH1 ARG A 55 -16.723 -6.671 -4.098 1.00 0.00 N ATOM 931 NH2 ARG A 55 -18.042 -5.115 -3.053 1.00 0.00 N ATOM 0 H ARG A 55 -15.933 -7.616 3.753 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.873 -8.272 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.865 -8.314 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.223 -6.665 0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.238 -5.833 -0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.598 -7.448 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.379 -6.661 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.450 -7.939 -1.944 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.536 -5.430 -1.134 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.920 -7.300 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.295 -6.599 -4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.251 -4.550 -2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.622 -5.033 -3.888 1.00 0.00 H new ATOM 945 N VAL A 56 -12.903 -5.976 2.265 1.00 0.00 N ATOM 946 CA VAL A 56 -12.161 -4.809 2.757 1.00 0.00 C ATOM 947 C VAL A 56 -11.600 -4.023 1.550 1.00 0.00 C ATOM 948 O VAL A 56 -11.379 -4.595 0.471 1.00 0.00 O ATOM 949 CB VAL A 56 -11.010 -5.213 3.697 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.551 -5.937 4.922 1.00 0.00 C ATOM 951 CG2 VAL A 56 -10.006 -6.090 2.965 1.00 0.00 C ATOM 0 H VAL A 56 -12.371 -6.536 1.598 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.847 -4.186 3.331 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.502 -4.307 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.724 -6.215 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.234 -5.280 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.083 -6.835 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.200 -6.366 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.503 -6.992 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.594 -5.542 2.117 1.00 0.00 H new ATOM 961 N ARG A 57 -11.437 -2.700 1.716 1.00 0.00 N ATOM 962 CA ARG A 57 -10.877 -1.815 0.675 1.00 0.00 C ATOM 963 C ARG A 57 -9.723 -1.014 1.280 1.00 0.00 C ATOM 964 O ARG A 57 -9.878 -0.414 2.344 1.00 0.00 O ATOM 965 CB ARG A 57 -11.920 -0.912 0.034 1.00 0.00 C ATOM 966 CG ARG A 57 -11.378 0.049 -1.012 1.00 0.00 C ATOM 967 CD ARG A 57 -12.396 0.960 -1.594 1.00 0.00 C ATOM 968 NE ARG A 57 -13.363 0.306 -2.461 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.537 0.847 -2.844 1.00 0.00 C ATOM 970 NH1 ARG A 57 -14.910 2.031 -2.410 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.315 0.145 -3.648 1.00 0.00 N ATOM 0 H ARG A 57 -11.689 -2.211 2.575 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.505 -2.436 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.685 -1.536 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.411 -0.334 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.587 0.648 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.922 -0.528 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.930 1.454 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.887 1.739 -2.161 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.137 -0.628 -2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.308 2.554 -1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.801 2.426 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.022 -0.780 -3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.209 0.528 -3.955 1.00 0.00 H new ATOM 985 N ILE A 58 -8.575 -1.029 0.589 1.00 0.00 N ATOM 986 CA ILE A 58 -7.344 -0.358 1.016 1.00 0.00 C ATOM 987 C ILE A 58 -6.965 0.671 -0.063 1.00 0.00 C ATOM 988 O ILE A 58 -6.834 0.311 -1.238 1.00 0.00 O ATOM 989 CB ILE A 58 -6.185 -1.346 1.233 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.550 -2.369 2.312 1.00 0.00 C ATOM 991 CG2 ILE A 58 -4.914 -0.601 1.610 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.566 -3.511 2.429 1.00 0.00 C ATOM 0 H ILE A 58 -8.476 -1.519 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.524 0.128 1.975 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.006 -1.880 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.618 -1.860 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.538 -2.774 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.104 -1.315 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.646 0.089 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.080 -0.042 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.892 -4.194 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.515 -4.046 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.580 -3.118 2.677 1.00 0.00 H new ATOM 1004 N SER A 59 -6.807 1.938 0.319 1.00 0.00 N ATOM 1005 CA SER A 59 -6.315 2.978 -0.582 1.00 0.00 C ATOM 1006 C SER A 59 -4.945 3.412 -0.061 1.00 0.00 C ATOM 1007 O SER A 59 -4.779 3.649 1.136 1.00 0.00 O ATOM 1008 CB SER A 59 -7.278 4.148 -0.652 1.00 0.00 C ATOM 1009 OG SER A 59 -8.444 3.828 -1.361 1.00 0.00 O ATOM 0 H SER A 59 -7.016 2.271 1.260 1.00 0.00 H new ATOM 0 HA SER A 59 -6.231 2.595 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.542 4.460 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.785 4.995 -1.129 1.00 0.00 H new ATOM 0 HG SER A 59 -9.038 4.607 -1.382 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.954 3.444 -0.958 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.579 3.833 -0.630 1.00 0.00 C ATOM 1017 C ILE A 60 -2.225 5.077 -1.443 1.00 0.00 C ATOM 1018 O ILE A 60 -2.391 5.104 -2.670 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.565 2.712 -0.925 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.859 1.485 -0.059 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.145 3.205 -0.692 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -0.978 0.296 -0.365 1.00 0.00 C ATOM 0 H ILE A 60 -4.085 3.199 -1.939 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.525 4.035 0.440 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.660 2.424 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.737 1.755 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.901 1.197 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.559 2.401 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.059 4.050 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.034 3.519 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.246 -0.534 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.117 -0.002 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.066 0.565 -0.201 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.784 6.119 -0.735 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.364 7.380 -1.335 1.00 0.00 C ATOM 1036 C ARG A 61 0.151 7.510 -1.108 1.00 0.00 C ATOM 1037 O ARG A 61 0.632 7.333 0.011 1.00 0.00 O ATOM 1038 CB ARG A 61 -2.143 8.580 -0.815 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.787 9.905 -1.470 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.581 11.062 -0.981 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.311 11.439 0.397 1.00 0.00 N ATOM 1042 CZ ARG A 61 -1.356 12.310 0.779 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -0.555 12.865 -0.101 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -1.231 12.572 2.069 1.00 0.00 N ATOM 0 H ARG A 61 -1.709 6.107 0.282 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.584 7.370 -2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.207 8.394 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.977 8.666 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.729 10.108 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.926 9.813 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.384 11.920 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.641 10.827 -1.079 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.885 11.015 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.650 12.639 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.162 13.522 0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.848 12.119 2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.518 13.227 2.390 1.00 0.00 H new ATOM 1058 N VAL A 62 0.886 7.788 -2.185 1.00 0.00 N ATOM 1059 CA VAL A 62 2.348 7.901 -2.154 1.00 0.00 C ATOM 1060 C VAL A 62 2.714 9.358 -2.449 1.00 0.00 C ATOM 1061 O VAL A 62 2.128 9.996 -3.326 1.00 0.00 O ATOM 1062 CB VAL A 62 3.032 6.972 -3.173 1.00 0.00 C ATOM 1063 CG1 VAL A 62 4.486 7.374 -3.369 1.00 0.00 C ATOM 1064 CG2 VAL A 62 2.938 5.523 -2.719 1.00 0.00 C ATOM 0 H VAL A 62 0.484 7.942 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 62 2.701 7.596 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 62 2.516 7.069 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.954 6.706 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.534 8.399 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.014 7.305 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.427 4.880 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.430 5.412 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.890 5.238 -2.628 1.00 0.00 H new ATOM 1074 N LYS A 63 3.633 9.905 -1.646 1.00 0.00 N ATOM 1075 CA LYS A 63 4.196 11.229 -1.890 1.00 0.00 C ATOM 1076 C LYS A 63 5.488 11.058 -2.701 1.00 0.00 C ATOM 1077 O LYS A 63 6.315 10.199 -2.366 1.00 0.00 O ATOM 1078 CB LYS A 63 4.466 11.968 -0.578 1.00 0.00 C ATOM 1079 CG LYS A 63 3.212 12.413 0.163 1.00 0.00 C ATOM 1080 CD LYS A 63 3.554 13.324 1.333 1.00 0.00 C ATOM 1081 CE LYS A 63 2.307 13.725 2.107 1.00 0.00 C ATOM 1082 NZ LYS A 63 2.632 14.573 3.285 1.00 0.00 N ATOM 0 H LYS A 63 4.003 9.443 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 63 3.483 11.833 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.049 11.320 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.079 12.844 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.547 12.935 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.672 11.538 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.251 12.816 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.059 14.217 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.629 14.266 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.782 12.829 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.752 14.866 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.217 14.031 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.155 15.416 2.972 1.00 0.00 H new ATOM 1096 N HIS A 64 5.623 11.830 -3.798 1.00 0.00 N ATOM 1097 CA HIS A 64 6.742 11.681 -4.747 1.00 0.00 C ATOM 1098 C HIS A 64 7.938 12.523 -4.263 1.00 0.00 C ATOM 1099 O HIS A 64 7.751 13.624 -3.724 1.00 0.00 O ATOM 1100 CB HIS A 64 6.329 12.101 -6.161 1.00 0.00 C ATOM 1101 CG HIS A 64 5.209 11.285 -6.729 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.379 9.985 -7.158 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.905 11.583 -6.938 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.226 9.519 -7.607 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.317 10.470 -7.484 1.00 0.00 N ATOM 0 H HIS A 64 4.965 12.568 -4.049 1.00 0.00 H new ATOM 0 HA HIS A 64 7.029 10.630 -4.786 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.032 13.150 -6.147 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.194 12.024 -6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.419 12.521 -6.716 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.056 8.530 -8.006 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.336 10.390 -7.752 1.00 0.00 H new ATOM 1113 N SER A 65 9.149 11.999 -4.455 1.00 0.00 N ATOM 1114 CA SER A 65 10.379 12.610 -3.942 1.00 0.00 C ATOM 1115 C SER A 65 10.884 13.723 -4.874 1.00 0.00 C ATOM 1116 O SER A 65 11.545 14.663 -4.421 1.00 0.00 O ATOM 1117 CB SER A 65 11.447 11.550 -3.757 1.00 0.00 C ATOM 1118 OG SER A 65 11.783 10.925 -4.965 1.00 0.00 O ATOM 0 H SER A 65 9.307 11.135 -4.973 1.00 0.00 H new ATOM 0 HA SER A 65 10.154 13.063 -2.977 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.338 12.005 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.095 10.801 -3.047 1.00 0.00 H new ATOM 0 HG SER A 65 11.002 10.446 -5.314 1.00 0.00 H new ATOM 1124 N ASP A 66 10.548 13.618 -6.170 1.00 0.00 N ATOM 1125 CA ASP A 66 10.950 14.599 -7.202 1.00 0.00 C ATOM 1126 C ASP A 66 9.753 14.944 -8.106 1.00 0.00 C ATOM 1127 O ASP A 66 9.120 14.048 -8.665 1.00 0.00 O ATOM 1128 CB ASP A 66 12.110 14.061 -8.044 1.00 0.00 C ATOM 1129 CG ASP A 66 12.653 15.045 -9.071 1.00 0.00 C ATOM 1130 OD1 ASP A 66 11.922 15.405 -9.964 1.00 0.00 O ATOM 1131 OD2 ASP A 66 13.731 15.549 -8.869 1.00 0.00 O ATOM 0 H ASP A 66 9.988 12.849 -6.537 1.00 0.00 H new ATOM 0 HA ASP A 66 11.285 15.505 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.921 13.767 -7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.780 13.160 -8.561 1.00 0.00 H new ATOM 1136 N ALA A 67 9.478 16.253 -8.259 1.00 0.00 N ATOM 1137 CA ALA A 67 8.309 16.764 -9.009 1.00 0.00 C ATOM 1138 C ALA A 67 8.407 16.474 -10.526 1.00 0.00 C ATOM 1139 O ALA A 67 7.386 16.336 -11.201 1.00 0.00 O ATOM 1140 CB ALA A 67 8.131 18.268 -8.735 1.00 0.00 C ATOM 0 H ALA A 67 10.061 16.991 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 67 7.426 16.232 -8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.269 18.639 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.972 18.427 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.025 18.804 -9.053 1.00 0.00 H new ATOM 1146 N ALA A 68 9.636 16.408 -11.055 1.00 0.00 N ATOM 1147 CA ALA A 68 9.888 16.090 -12.473 1.00 0.00 C ATOM 1148 C ALA A 68 9.703 14.581 -12.702 1.00 0.00 C ATOM 1149 O ALA A 68 8.948 14.152 -13.583 1.00 0.00 O ATOM 1150 CB ALA A 68 11.303 16.534 -12.875 1.00 0.00 C ATOM 0 H ALA A 68 10.485 16.573 -10.515 1.00 0.00 H new ATOM 0 HA ALA A 68 9.175 16.630 -13.096 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.476 16.293 -13.924 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.402 17.610 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.036 16.015 -12.258 1.00 0.00 H new ATOM 1156 N GLU A 69 10.390 13.798 -11.856 1.00 0.00 N ATOM 1157 CA GLU A 69 10.398 12.322 -11.916 1.00 0.00 C ATOM 1158 C GLU A 69 9.055 11.699 -11.489 1.00 0.00 C ATOM 1159 O GLU A 69 8.802 10.562 -11.827 1.00 0.00 O ATOM 1160 CB GLU A 69 11.523 11.767 -11.041 1.00 0.00 C ATOM 1161 CG GLU A 69 12.924 12.048 -11.565 1.00 0.00 C ATOM 1162 CD GLU A 69 13.974 11.473 -10.655 1.00 0.00 C ATOM 1163 OE1 GLU A 69 13.616 10.917 -9.644 1.00 0.00 O ATOM 1164 OE2 GLU A 69 15.124 11.489 -11.024 1.00 0.00 O ATOM 0 H GLU A 69 10.964 14.173 -11.101 1.00 0.00 H new ATOM 0 HA GLU A 69 10.564 12.050 -12.958 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.431 12.190 -10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.394 10.689 -10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.033 11.624 -12.563 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.070 13.124 -11.658 1.00 0.00 H new ATOM 1171 N GLU A 70 8.227 12.438 -10.716 1.00 0.00 N ATOM 1172 CA GLU A 70 6.949 11.923 -10.139 1.00 0.00 C ATOM 1173 C GLU A 70 6.104 11.055 -11.114 1.00 0.00 C ATOM 1174 O GLU A 70 5.399 10.146 -10.673 1.00 0.00 O ATOM 1175 CB GLU A 70 6.098 13.095 -9.646 1.00 0.00 C ATOM 1176 CG GLU A 70 5.514 13.959 -10.756 1.00 0.00 C ATOM 1177 CD GLU A 70 4.551 14.975 -10.207 1.00 0.00 C ATOM 1178 OE1 GLU A 70 4.965 15.794 -9.422 1.00 0.00 O ATOM 1179 OE2 GLU A 70 3.430 15.004 -10.656 1.00 0.00 O ATOM 0 H GLU A 70 8.420 13.409 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 70 7.239 11.267 -9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.282 12.705 -9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.708 13.723 -8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.319 14.467 -11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.004 13.326 -11.482 1.00 0.00 H new ATOM 1186 N LYS A 71 6.169 11.362 -12.429 1.00 0.00 N ATOM 1187 CA LYS A 71 5.468 10.572 -13.471 1.00 0.00 C ATOM 1188 C LYS A 71 6.063 9.156 -13.525 1.00 0.00 C ATOM 1189 O LYS A 71 5.341 8.166 -13.565 1.00 0.00 O ATOM 1190 CB LYS A 71 5.573 11.248 -14.839 1.00 0.00 C ATOM 1191 CG LYS A 71 4.788 12.547 -14.961 1.00 0.00 C ATOM 1192 CD LYS A 71 4.968 13.176 -16.335 1.00 0.00 C ATOM 1193 CE LYS A 71 4.301 14.541 -16.412 1.00 0.00 C ATOM 1194 NZ LYS A 71 4.476 15.171 -17.748 1.00 0.00 N ATOM 0 H LYS A 71 6.700 12.152 -12.796 1.00 0.00 H new ATOM 0 HA LYS A 71 4.411 10.512 -13.212 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.623 11.451 -15.051 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.223 10.553 -15.602 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.730 12.353 -14.783 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.117 13.247 -14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.031 13.276 -16.555 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.546 12.519 -17.096 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.238 14.438 -16.196 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.720 15.193 -15.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.007 16.099 -17.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.490 15.293 -17.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.054 14.562 -18.477 1.00 0.00 H new ATOM 1208 N LYS A 72 7.402 9.106 -13.498 1.00 0.00 N ATOM 1209 CA LYS A 72 8.184 7.866 -13.454 1.00 0.00 C ATOM 1210 C LYS A 72 8.024 7.165 -12.081 1.00 0.00 C ATOM 1211 O LYS A 72 7.888 5.956 -12.040 1.00 0.00 O ATOM 1212 CB LYS A 72 9.658 8.155 -13.740 1.00 0.00 C ATOM 1213 CG LYS A 72 9.951 8.584 -15.172 1.00 0.00 C ATOM 1214 CD LYS A 72 11.432 8.869 -15.372 1.00 0.00 C ATOM 1215 CE LYS A 72 11.719 9.329 -16.794 1.00 0.00 C ATOM 1216 NZ LYS A 72 13.159 9.640 -16.998 1.00 0.00 N ATOM 0 H LYS A 72 7.982 9.945 -13.506 1.00 0.00 H new ATOM 0 HA LYS A 72 7.806 7.195 -14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.000 8.937 -13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.241 7.262 -13.515 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.633 7.801 -15.861 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.371 9.475 -15.413 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.756 9.635 -14.667 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.010 7.971 -15.154 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.413 8.553 -17.495 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.122 10.213 -17.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.312 9.949 -17.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.446 10.399 -16.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.728 8.790 -16.811 1.00 0.00 H new ATOM 1230 N GLU A 73 7.981 7.959 -10.981 1.00 0.00 N ATOM 1231 CA GLU A 73 7.875 7.442 -9.590 1.00 0.00 C ATOM 1232 C GLU A 73 6.539 6.711 -9.341 1.00 0.00 C ATOM 1233 O GLU A 73 6.509 5.719 -8.615 1.00 0.00 O ATOM 1234 CB GLU A 73 8.033 8.583 -8.583 1.00 0.00 C ATOM 1235 CG GLU A 73 9.417 9.216 -8.562 1.00 0.00 C ATOM 1236 CD GLU A 73 9.540 10.224 -7.453 1.00 0.00 C ATOM 1237 OE1 GLU A 73 9.488 9.834 -6.311 1.00 0.00 O ATOM 1238 OE2 GLU A 73 9.795 11.369 -7.745 1.00 0.00 O ATOM 0 H GLU A 73 8.019 8.977 -11.032 1.00 0.00 H new ATOM 0 HA GLU A 73 8.680 6.720 -9.455 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.297 9.355 -8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.804 8.206 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.172 8.440 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.613 9.699 -9.519 1.00 0.00 H new ATOM 1245 N ALA A 74 5.445 7.201 -9.942 1.00 0.00 N ATOM 1246 CA ALA A 74 4.130 6.526 -9.862 1.00 0.00 C ATOM 1247 C ALA A 74 4.194 5.147 -10.553 1.00 0.00 C ATOM 1248 O ALA A 74 3.697 4.148 -10.020 1.00 0.00 O ATOM 1249 CB ALA A 74 3.037 7.411 -10.473 1.00 0.00 C ATOM 0 H ALA A 74 5.439 8.061 -10.490 1.00 0.00 H new ATOM 0 HA ALA A 74 3.877 6.363 -8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.076 6.901 -10.407 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.986 8.354 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.271 7.609 -11.519 1.00 0.00 H new ATOM 1255 N LYS A 75 4.817 5.127 -11.754 1.00 0.00 N ATOM 1256 CA LYS A 75 5.087 3.893 -12.530 1.00 0.00 C ATOM 1257 C LYS A 75 5.999 2.915 -11.742 1.00 0.00 C ATOM 1258 O LYS A 75 5.785 1.698 -11.765 1.00 0.00 O ATOM 1259 CB LYS A 75 5.728 4.239 -13.875 1.00 0.00 C ATOM 1260 CG LYS A 75 4.793 4.933 -14.857 1.00 0.00 C ATOM 1261 CD LYS A 75 5.500 5.250 -16.166 1.00 0.00 C ATOM 1262 CE LYS A 75 4.575 5.968 -17.137 1.00 0.00 C ATOM 1263 NZ LYS A 75 5.263 6.311 -18.411 1.00 0.00 N ATOM 0 H LYS A 75 5.149 5.973 -12.216 1.00 0.00 H new ATOM 0 HA LYS A 75 4.132 3.397 -12.706 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.591 4.881 -13.698 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.101 3.323 -14.333 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.930 4.296 -15.053 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.415 5.854 -14.413 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.374 5.870 -15.968 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.860 4.327 -16.620 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.712 5.337 -17.349 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.197 6.879 -16.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.598 6.799 -19.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.072 6.934 -18.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.601 5.440 -18.868 1.00 0.00 H new ATOM 1277 N LYS A 76 7.019 3.469 -11.054 1.00 0.00 N ATOM 1278 CA LYS A 76 7.962 2.691 -10.213 1.00 0.00 C ATOM 1279 C LYS A 76 7.203 2.018 -9.075 1.00 0.00 C ATOM 1280 O LYS A 76 7.341 0.815 -8.859 1.00 0.00 O ATOM 1281 CB LYS A 76 9.070 3.583 -9.651 1.00 0.00 C ATOM 1282 CG LYS A 76 10.098 4.034 -10.680 1.00 0.00 C ATOM 1283 CD LYS A 76 11.149 4.939 -10.052 1.00 0.00 C ATOM 1284 CE LYS A 76 12.155 5.419 -11.087 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.183 6.314 -10.490 1.00 0.00 N ATOM 0 H LYS A 76 7.215 4.470 -11.064 1.00 0.00 H new ATOM 0 HA LYS A 76 8.429 1.930 -10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.616 4.465 -9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.584 3.045 -8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.582 3.162 -11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.597 4.563 -11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.663 5.798 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.668 4.401 -9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.644 4.559 -11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.632 5.948 -11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.849 6.619 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.719 7.148 -10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.700 5.802 -9.747 1.00 0.00 H new ATOM 1299 N PHE A 77 6.335 2.802 -8.414 1.00 0.00 N ATOM 1300 CA PHE A 77 5.487 2.327 -7.317 1.00 0.00 C ATOM 1301 C PHE A 77 4.394 1.378 -7.807 1.00 0.00 C ATOM 1302 O PHE A 77 3.972 0.516 -7.053 1.00 0.00 O ATOM 1303 CB PHE A 77 4.903 3.519 -6.510 1.00 0.00 C ATOM 1304 CG PHE A 77 5.715 3.853 -5.257 1.00 0.00 C ATOM 1305 CD1 PHE A 77 5.509 3.141 -4.071 1.00 0.00 C ATOM 1306 CD2 PHE A 77 6.678 4.864 -5.256 1.00 0.00 C ATOM 1307 CE1 PHE A 77 6.234 3.427 -2.938 1.00 0.00 C ATOM 1308 CE2 PHE A 77 7.406 5.149 -4.115 1.00 0.00 C ATOM 1309 CZ PHE A 77 7.178 4.432 -2.958 1.00 0.00 C ATOM 0 H PHE A 77 6.204 3.790 -8.631 1.00 0.00 H new ATOM 0 HA PHE A 77 6.117 1.749 -6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.860 4.398 -7.153 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.878 3.286 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.769 2.355 -4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.857 5.431 -6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.064 2.864 -2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.151 5.931 -4.129 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.741 4.659 -2.065 1.00 0.00 H new ATOM 1319 N ALA A 78 3.908 1.567 -9.049 1.00 0.00 N ATOM 1320 CA ALA A 78 2.937 0.645 -9.659 1.00 0.00 C ATOM 1321 C ALA A 78 3.506 -0.786 -9.658 1.00 0.00 C ATOM 1322 O ALA A 78 2.841 -1.722 -9.210 1.00 0.00 O ATOM 1323 CB ALA A 78 2.551 1.107 -11.070 1.00 0.00 C ATOM 0 H ALA A 78 4.173 2.350 -9.647 1.00 0.00 H new ATOM 0 HA ALA A 78 2.023 0.647 -9.066 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.832 0.408 -11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.105 2.100 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.441 1.142 -11.698 1.00 0.00 H new ATOM 1329 N ALA A 79 4.784 -0.907 -10.069 1.00 0.00 N ATOM 1330 CA ALA A 79 5.520 -2.184 -10.074 1.00 0.00 C ATOM 1331 C ALA A 79 5.773 -2.695 -8.634 1.00 0.00 C ATOM 1332 O ALA A 79 5.507 -3.858 -8.337 1.00 0.00 O ATOM 1333 CB ALA A 79 6.846 -2.018 -10.833 1.00 0.00 C ATOM 0 H ALA A 79 5.335 -0.118 -10.408 1.00 0.00 H new ATOM 0 HA ALA A 79 4.910 -2.930 -10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.386 -2.965 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.642 -1.716 -11.860 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.452 -1.255 -10.344 1.00 0.00 H new ATOM 1339 N ILE A 80 6.255 -1.785 -7.756 1.00 0.00 N ATOM 1340 CA ILE A 80 6.620 -2.083 -6.348 1.00 0.00 C ATOM 1341 C ILE A 80 5.408 -2.588 -5.536 1.00 0.00 C ATOM 1342 O ILE A 80 5.468 -3.672 -4.939 1.00 0.00 O ATOM 1343 CB ILE A 80 7.208 -0.846 -5.645 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.562 -0.477 -6.258 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.348 -1.099 -4.152 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.635 -1.518 -6.039 1.00 0.00 C ATOM 0 H ILE A 80 6.404 -0.808 -8.008 1.00 0.00 H new ATOM 0 HA ILE A 80 7.374 -2.869 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 80 6.525 -0.009 -5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.435 -0.320 -7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.896 0.470 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.765 -0.214 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.368 -1.316 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.011 -1.948 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.564 -1.186 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.792 -1.659 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.324 -2.461 -6.488 1.00 0.00 H new ATOM 1358 N LEU A 81 4.314 -1.810 -5.545 1.00 0.00 N ATOM 1359 CA LEU A 81 3.074 -2.163 -4.827 1.00 0.00 C ATOM 1360 C LEU A 81 2.403 -3.400 -5.450 1.00 0.00 C ATOM 1361 O LEU A 81 1.845 -4.208 -4.714 1.00 0.00 O ATOM 1362 CB LEU A 81 2.105 -0.975 -4.826 1.00 0.00 C ATOM 1363 CG LEU A 81 2.452 0.151 -3.844 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.591 1.374 -4.125 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.246 -0.337 -2.418 1.00 0.00 C ATOM 0 H LEU A 81 4.261 -0.923 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 81 3.337 -2.406 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.066 -0.558 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.105 -1.342 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 81 3.497 0.434 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.845 2.167 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.771 1.720 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.539 1.112 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.493 0.463 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.205 -0.630 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.892 -1.194 -2.230 1.00 0.00 H new ATOM 1377 N ASN A 82 2.495 -3.555 -6.799 1.00 0.00 N ATOM 1378 CA ASN A 82 1.943 -4.746 -7.508 1.00 0.00 C ATOM 1379 C ASN A 82 2.626 -6.034 -6.984 1.00 0.00 C ATOM 1380 O ASN A 82 1.953 -7.044 -6.753 1.00 0.00 O ATOM 1381 CB ASN A 82 2.104 -4.637 -9.013 1.00 0.00 C ATOM 1382 CG ASN A 82 1.592 -5.834 -9.766 1.00 0.00 C ATOM 1383 OD1 ASN A 82 2.367 -6.643 -10.287 1.00 0.00 O ATOM 1384 ND2 ASN A 82 0.291 -5.906 -9.893 1.00 0.00 N ATOM 0 H ASN A 82 2.943 -2.876 -7.415 1.00 0.00 H new ATOM 0 HA ASN A 82 0.874 -4.791 -7.300 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.579 -3.748 -9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 82 3.159 -4.496 -9.247 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.127 -6.656 -10.443 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.305 -5.212 -9.442 1.00 0.00 H new ATOM 1391 N LYS A 83 3.964 -5.961 -6.773 1.00 0.00 N ATOM 1392 CA LYS A 83 4.763 -7.096 -6.258 1.00 0.00 C ATOM 1393 C LYS A 83 4.412 -7.368 -4.788 1.00 0.00 C ATOM 1394 O LYS A 83 4.226 -8.514 -4.404 1.00 0.00 O ATOM 1395 CB LYS A 83 6.260 -6.820 -6.401 1.00 0.00 C ATOM 1396 CG LYS A 83 6.773 -6.860 -7.834 1.00 0.00 C ATOM 1397 CD LYS A 83 8.263 -6.558 -7.897 1.00 0.00 C ATOM 1398 CE LYS A 83 8.766 -6.543 -9.333 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.220 -6.237 -9.411 1.00 0.00 N ATOM 0 H LYS A 83 4.513 -5.121 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 83 4.521 -7.979 -6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.478 -5.840 -5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.810 -7.553 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.581 -7.843 -8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.227 -6.135 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.460 -5.593 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.812 -7.306 -7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.574 -7.512 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.208 -5.801 -9.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.522 -6.237 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.401 -5.302 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.755 -6.959 -8.887 1.00 0.00 H new ATOM 1413 N VAL A 84 4.243 -6.279 -4.017 1.00 0.00 N ATOM 1414 CA VAL A 84 3.893 -6.328 -2.583 1.00 0.00 C ATOM 1415 C VAL A 84 2.504 -6.982 -2.383 1.00 0.00 C ATOM 1416 O VAL A 84 2.367 -7.936 -1.617 1.00 0.00 O ATOM 1417 CB VAL A 84 3.892 -4.924 -1.952 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.237 -4.957 -0.579 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.310 -4.383 -1.850 1.00 0.00 C ATOM 0 H VAL A 84 4.346 -5.329 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 84 4.654 -6.930 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 84 3.315 -4.260 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.245 -3.956 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.208 -5.302 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.788 -5.636 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.289 -3.390 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.910 -5.049 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.749 -4.322 -2.846 1.00 0.00 H new ATOM 1429 N PHE A 85 1.501 -6.466 -3.125 1.00 0.00 N ATOM 1430 CA PHE A 85 0.103 -6.956 -3.069 1.00 0.00 C ATOM 1431 C PHE A 85 0.014 -8.404 -3.579 1.00 0.00 C ATOM 1432 O PHE A 85 -0.745 -9.210 -3.038 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.820 -6.052 -3.889 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.274 -4.824 -3.154 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -2.051 -4.929 -2.011 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.924 -3.559 -3.605 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.471 -3.800 -1.335 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.342 -2.428 -2.929 1.00 0.00 C ATOM 1439 CZ PHE A 85 -2.116 -2.548 -1.794 1.00 0.00 C ATOM 0 H PHE A 85 1.636 -5.697 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.221 -6.933 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.302 -5.749 -4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.695 -6.625 -4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.331 -5.905 -1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.319 -3.457 -4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.078 -3.897 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.062 -1.449 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.443 -1.665 -1.266 1.00 0.00 H new ATOM 1449 N ALA A 86 0.835 -8.722 -4.596 1.00 0.00 N ATOM 1450 CA ALA A 86 0.962 -10.086 -5.150 1.00 0.00 C ATOM 1451 C ALA A 86 1.524 -11.073 -4.103 1.00 0.00 C ATOM 1452 O ALA A 86 1.203 -12.264 -4.135 1.00 0.00 O ATOM 1453 CB ALA A 86 1.845 -10.065 -6.409 1.00 0.00 C ATOM 0 H ALA A 86 1.433 -8.038 -5.060 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.034 -10.434 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.932 -11.075 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.394 -9.415 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.836 -9.690 -6.152 1.00 0.00 H new ATOM 1459 N GLU A 87 2.366 -10.559 -3.182 1.00 0.00 N ATOM 1460 CA GLU A 87 2.972 -11.356 -2.092 1.00 0.00 C ATOM 1461 C GLU A 87 2.010 -11.512 -0.904 1.00 0.00 C ATOM 1462 O GLU A 87 2.214 -12.385 -0.051 1.00 0.00 O ATOM 1463 CB GLU A 87 4.280 -10.713 -1.622 1.00 0.00 C ATOM 1464 CG GLU A 87 5.453 -10.909 -2.570 1.00 0.00 C ATOM 1465 CD GLU A 87 6.702 -10.265 -2.035 1.00 0.00 C ATOM 1466 OE1 GLU A 87 7.087 -10.583 -0.935 1.00 0.00 O ATOM 1467 OE2 GLU A 87 7.333 -9.540 -2.767 1.00 0.00 O ATOM 0 H GLU A 87 2.646 -9.578 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 87 3.182 -12.349 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.116 -9.644 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.543 -11.125 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.627 -11.974 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.211 -10.484 -3.544 1.00 0.00 H new ATOM 1474 N LEU A 88 0.961 -10.673 -0.853 1.00 0.00 N ATOM 1475 CA LEU A 88 0.052 -10.597 0.307 1.00 0.00 C ATOM 1476 C LEU A 88 -1.246 -11.360 -0.006 1.00 0.00 C ATOM 1477 O LEU A 88 -1.996 -11.698 0.904 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.249 -9.136 0.667 1.00 0.00 C ATOM 1479 CG LEU A 88 0.948 -8.332 1.187 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.557 -6.872 1.368 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.430 -8.928 2.501 1.00 0.00 C ATOM 0 H LEU A 88 0.719 -10.032 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 88 0.536 -11.058 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.646 -8.635 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.034 -9.119 1.423 1.00 0.00 H new ATOM 0 HG LEU A 88 1.760 -8.380 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.414 -6.309 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.237 -6.460 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.261 -6.801 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.281 -8.355 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.624 -8.893 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.731 -9.964 2.342 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.444 -11.715 -1.291 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.547 -12.580 -1.729 1.00 0.00 C ATOM 1495 C GLY A 89 -3.530 -11.871 -2.655 1.00 0.00 C ATOM 1496 O GLY A 89 -4.566 -12.445 -3.010 1.00 0.00 O ATOM 0 H GLY A 89 -0.840 -11.407 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.137 -13.450 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.082 -12.948 -0.854 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.204 -10.616 -3.044 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.047 -9.798 -3.945 1.00 0.00 C ATOM 1502 C TYR A 90 -3.666 -10.030 -5.416 1.00 0.00 C ATOM 1503 O TYR A 90 -2.485 -10.202 -5.746 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.920 -8.313 -3.601 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.580 -7.928 -2.295 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.941 -7.664 -2.237 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.841 -7.827 -1.126 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -6.549 -7.311 -1.048 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -4.439 -7.476 0.069 1.00 0.00 C ATOM 1510 CZ TYR A 90 -5.795 -7.218 0.104 1.00 0.00 C ATOM 1511 OH TYR A 90 -6.396 -6.866 1.290 1.00 0.00 O ATOM 0 H TYR A 90 -2.352 -10.144 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.083 -10.106 -3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.863 -8.050 -3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.360 -7.725 -4.406 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.535 -7.736 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.780 -8.026 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.610 -7.109 -1.020 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.849 -7.404 0.971 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.725 -6.847 2.004 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.681 -10.022 -6.290 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.504 -10.215 -7.739 1.00 0.00 C ATOM 1523 C ASN A 91 -4.448 -8.857 -8.450 1.00 0.00 C ATOM 1524 O ASN A 91 -4.857 -7.829 -7.894 1.00 0.00 O ATOM 1525 CB ASN A 91 -5.603 -11.078 -8.332 1.00 0.00 C ATOM 1526 CG ASN A 91 -5.557 -12.510 -7.877 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -4.494 -13.043 -7.540 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -6.691 -13.160 -7.945 1.00 0.00 N ATOM 0 H ASN A 91 -5.652 -9.881 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.560 -10.738 -7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.571 -10.652 -8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.529 -11.049 -9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.724 -14.153 -7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.541 -12.674 -8.229 1.00 0.00 H new ATOM 1535 N ASP A 92 -3.950 -8.880 -9.695 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.869 -7.693 -10.572 1.00 0.00 C ATOM 1537 C ASP A 92 -5.258 -7.040 -10.747 1.00 0.00 C ATOM 1538 O ASP A 92 -5.367 -5.817 -10.841 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.288 -8.071 -11.936 1.00 0.00 C ATOM 1540 CG ASP A 92 -1.801 -8.397 -11.918 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.168 -8.137 -10.923 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.343 -9.042 -12.831 1.00 0.00 O ATOM 0 H ASP A 92 -3.588 -9.729 -10.129 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.207 -6.969 -10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.832 -8.933 -12.323 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.459 -7.249 -12.631 1.00 0.00 H new ATOM 1547 N SER A 93 -6.312 -7.879 -10.761 1.00 0.00 N ATOM 1548 CA SER A 93 -7.716 -7.439 -10.927 1.00 0.00 C ATOM 1549 C SER A 93 -8.288 -6.772 -9.648 1.00 0.00 C ATOM 1550 O SER A 93 -9.424 -6.296 -9.651 1.00 0.00 O ATOM 1551 CB SER A 93 -8.576 -8.623 -11.327 1.00 0.00 C ATOM 1552 OG SER A 93 -8.662 -9.579 -10.306 1.00 0.00 O ATOM 0 H SER A 93 -6.215 -8.889 -10.657 1.00 0.00 H new ATOM 0 HA SER A 93 -7.731 -6.683 -11.712 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.577 -8.274 -11.582 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.162 -9.086 -12.223 1.00 0.00 H new ATOM 0 HG SER A 93 -9.225 -10.324 -10.602 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.492 -6.746 -8.558 1.00 0.00 N ATOM 1559 CA ASN A 94 -7.894 -6.154 -7.258 1.00 0.00 C ATOM 1560 C ASN A 94 -7.419 -4.689 -7.155 1.00 0.00 C ATOM 1561 O ASN A 94 -7.888 -3.931 -6.308 1.00 0.00 O ATOM 1562 CB ASN A 94 -7.367 -6.961 -6.087 1.00 0.00 C ATOM 1563 CG ASN A 94 -7.972 -8.332 -5.975 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -7.388 -9.328 -6.418 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -9.173 -8.379 -5.459 1.00 0.00 N ATOM 0 H ASN A 94 -6.549 -7.135 -8.552 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.983 -6.175 -7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.285 -7.058 -6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.558 -6.413 -5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.672 -9.267 -5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.611 -7.527 -5.107 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.509 -4.315 -8.065 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.734 -3.061 -8.010 1.00 0.00 C ATOM 1574 C VAL A 95 -6.214 -2.069 -9.100 1.00 0.00 C ATOM 1575 O VAL A 95 -6.259 -2.428 -10.279 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.226 -3.322 -8.185 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.449 -2.016 -8.120 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.725 -4.292 -7.125 1.00 0.00 C ATOM 0 H VAL A 95 -6.284 -4.887 -8.879 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.900 -2.624 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.066 -3.771 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.385 -2.219 -8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.788 -1.351 -8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.616 -1.541 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.658 -4.464 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.898 -3.870 -6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.260 -5.237 -7.215 1.00 0.00 H new ATOM 1588 N THR A 96 -6.610 -0.847 -8.687 1.00 0.00 N ATOM 1589 CA THR A 96 -6.955 0.258 -9.610 1.00 0.00 C ATOM 1590 C THR A 96 -6.136 1.524 -9.263 1.00 0.00 C ATOM 1591 O THR A 96 -6.231 2.045 -8.148 1.00 0.00 O ATOM 1592 CB THR A 96 -8.457 0.596 -9.562 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.221 -0.562 -9.926 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.780 1.733 -10.518 1.00 0.00 C ATOM 0 H THR A 96 -6.700 -0.597 -7.702 1.00 0.00 H new ATOM 0 HA THR A 96 -6.711 -0.076 -10.618 1.00 0.00 H new ATOM 0 HB THR A 96 -8.712 0.905 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.177 -0.347 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.846 1.957 -10.470 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.210 2.618 -10.236 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.516 1.440 -11.534 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.316 1.986 -10.223 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.479 3.196 -10.065 1.00 0.00 C ATOM 1604 C TRP A 97 -5.205 4.458 -10.560 1.00 0.00 C ATOM 1605 O TRP A 97 -5.768 4.474 -11.661 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.122 3.035 -10.818 1.00 0.00 C ATOM 1607 CG TRP A 97 -2.084 2.296 -10.013 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.811 0.957 -10.016 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.197 2.888 -9.055 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.812 0.684 -9.112 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.420 1.858 -8.515 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.990 4.201 -8.604 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.548 2.093 -7.552 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 -0.026 4.433 -7.645 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.733 3.381 -7.128 1.00 0.00 C ATOM 0 H TRP A 97 -5.212 1.534 -11.131 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.283 3.313 -8.999 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.293 2.504 -11.754 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.738 4.022 -11.077 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.306 0.224 -10.635 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.425 -0.239 -8.916 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.576 5.016 -9.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.139 1.284 -7.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.144 5.439 -7.290 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.482 3.588 -6.378 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.168 5.505 -9.726 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.607 6.864 -10.071 1.00 0.00 C ATOM 1628 C ASP A 98 -4.519 7.849 -9.593 1.00 0.00 C ATOM 1629 O ASP A 98 -4.489 8.257 -8.420 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.961 7.190 -9.436 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.521 8.555 -9.815 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -6.853 9.274 -10.519 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.669 8.803 -9.532 1.00 0.00 O ATOM 0 H ASP A 98 -4.824 5.429 -8.769 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.741 6.947 -11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.679 6.423 -9.726 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.862 7.140 -8.352 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.580 8.145 -10.510 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.483 9.073 -10.263 1.00 0.00 C ATOM 1640 C GLY A 99 -1.520 8.568 -9.194 1.00 0.00 C ATOM 1641 O GLY A 99 -0.999 7.452 -9.301 1.00 0.00 O ATOM 0 H GLY A 99 -3.569 7.740 -11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.936 9.239 -11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.889 10.037 -9.956 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.313 9.387 -8.148 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.396 9.080 -7.026 1.00 0.00 C ATOM 1647 C ASP A 100 -1.095 8.231 -5.944 1.00 0.00 C ATOM 1648 O ASP A 100 -0.496 7.912 -4.918 1.00 0.00 O ATOM 1649 CB ASP A 100 0.148 10.370 -6.409 1.00 0.00 C ATOM 1650 CG ASP A 100 -0.902 11.227 -5.716 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.043 10.831 -5.692 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.532 12.187 -5.081 1.00 0.00 O ATOM 0 H ASP A 100 -1.779 10.289 -8.053 1.00 0.00 H new ATOM 0 HA ASP A 100 0.435 8.500 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.924 10.114 -5.688 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.623 10.961 -7.192 1.00 0.00 H new ATOM 1657 N THR A 101 -2.365 7.861 -6.183 1.00 0.00 N ATOM 1658 CA THR A 101 -3.193 7.124 -5.211 1.00 0.00 C ATOM 1659 C THR A 101 -3.739 5.860 -5.881 1.00 0.00 C ATOM 1660 O THR A 101 -4.291 5.937 -6.977 1.00 0.00 O ATOM 1661 CB THR A 101 -4.377 8.012 -4.704 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.847 9.216 -4.127 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.263 7.298 -3.656 1.00 0.00 C ATOM 0 H THR A 101 -2.848 8.065 -7.058 1.00 0.00 H new ATOM 0 HA THR A 101 -2.579 6.855 -4.351 1.00 0.00 H new ATOM 0 HB THR A 101 -5.008 8.230 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.344 9.711 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.066 7.965 -3.343 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.690 6.396 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.658 7.029 -2.791 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.572 4.707 -5.228 1.00 0.00 N ATOM 1672 CA VAL A 102 -4.077 3.422 -5.724 1.00 0.00 C ATOM 1673 C VAL A 102 -5.119 2.849 -4.743 1.00 0.00 C ATOM 1674 O VAL A 102 -4.925 2.881 -3.529 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.940 2.402 -5.922 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.245 2.116 -4.599 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.479 1.115 -6.529 1.00 0.00 C ATOM 0 H VAL A 102 -3.081 4.637 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.543 3.603 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.210 2.829 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.444 1.393 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.826 3.040 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.966 1.709 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.662 0.406 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.228 0.685 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.933 1.331 -7.496 1.00 0.00 H new ATOM 1687 N THR A 103 -6.245 2.367 -5.290 1.00 0.00 N ATOM 1688 CA THR A 103 -7.328 1.755 -4.524 1.00 0.00 C ATOM 1689 C THR A 103 -7.322 0.251 -4.843 1.00 0.00 C ATOM 1690 O THR A 103 -7.414 -0.153 -6.010 1.00 0.00 O ATOM 1691 CB THR A 103 -8.702 2.365 -4.859 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.717 3.749 -4.486 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.807 1.631 -4.115 1.00 0.00 C ATOM 0 H THR A 103 -6.426 2.395 -6.293 1.00 0.00 H new ATOM 0 HA THR A 103 -7.164 1.938 -3.462 1.00 0.00 H new ATOM 0 HB THR A 103 -8.874 2.269 -5.931 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.651 3.826 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.771 2.076 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.806 0.581 -4.406 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.637 1.710 -3.041 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.132 -0.561 -3.799 1.00 0.00 N ATOM 1702 CA VAL A 104 -7.003 -2.016 -3.906 1.00 0.00 C ATOM 1703 C VAL A 104 -8.044 -2.642 -2.984 1.00 0.00 C ATOM 1704 O VAL A 104 -8.024 -2.404 -1.772 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.597 -2.515 -3.525 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.520 -4.031 -3.644 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.543 -1.859 -4.402 1.00 0.00 C ATOM 0 H VAL A 104 -7.062 -0.220 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.163 -2.307 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.403 -2.239 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.520 -4.367 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.251 -4.486 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.735 -4.327 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.556 -2.223 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.734 -2.105 -5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.582 -0.778 -4.271 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.963 -3.425 -3.552 1.00 0.00 N ATOM 1718 CA GLU A 105 -10.119 -3.953 -2.831 1.00 0.00 C ATOM 1719 C GLU A 105 -10.131 -5.473 -2.989 1.00 0.00 C ATOM 1720 O GLU A 105 -9.845 -6.011 -4.071 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.425 -3.343 -3.349 1.00 0.00 C ATOM 1722 CG GLU A 105 -12.677 -3.861 -2.658 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.898 -3.099 -3.098 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.756 -2.186 -3.875 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -14.982 -3.501 -2.746 1.00 0.00 O ATOM 0 H GLU A 105 -8.925 -3.711 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.041 -3.688 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.379 -2.261 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.506 -3.541 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.806 -4.920 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.561 -3.774 -1.578 1.00 0.00 H new ATOM 1732 N GLY A 106 -10.414 -6.162 -1.897 1.00 0.00 N ATOM 1733 CA GLY A 106 -10.450 -7.608 -1.888 1.00 0.00 C ATOM 1734 C GLY A 106 -10.903 -8.124 -0.552 1.00 0.00 C ATOM 1735 O GLY A 106 -11.257 -7.348 0.332 1.00 0.00 O ATOM 0 H GLY A 106 -10.624 -5.733 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.124 -7.964 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.460 -8.002 -2.118 1.00 0.00 H new ATOM 1739 N GLN A 107 -10.917 -9.439 -0.419 1.00 0.00 N ATOM 1740 CA GLN A 107 -11.359 -10.126 0.798 1.00 0.00 C ATOM 1741 C GLN A 107 -10.128 -10.569 1.581 1.00 0.00 C ATOM 1742 O GLN A 107 -9.080 -10.853 0.979 1.00 0.00 O ATOM 1743 CB GLN A 107 -12.240 -11.333 0.466 1.00 0.00 C ATOM 1744 CG GLN A 107 -13.542 -10.981 -0.232 1.00 0.00 C ATOM 1745 CD GLN A 107 -14.381 -12.205 -0.546 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -14.112 -12.928 -1.509 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -15.406 -12.442 0.264 1.00 0.00 N ATOM 0 H GLN A 107 -10.619 -10.075 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.958 -9.440 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.675 -12.018 -0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.468 -11.867 1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.117 -10.302 0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.322 -10.448 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.591 -11.817 1.049 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.008 -13.249 0.102 1.00 0.00 H new