USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 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 91 SER OG : rot 80:sc= 0.449 USER MOD Set 1.2: A 94 SER OG : rot 21:sc= 0.922 USER MOD Set 2.1: A 46 LYS NZ :NH3+ -103:sc= -1.32 (180deg=-3.18!) USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= -0.423 USER MOD Set 3.1: A 15 TYR OH : rot -135:sc= 0.52 USER MOD Set 3.2: A 17 ASN : amide:sc= 0.466 X(o=0.99,f=0.61) USER MOD Set 4.1: A 12 CYS SG : rot 44:sc= -1.84 USER MOD Set 4.2: A 49 THR OG1 : rot 85:sc= 1.37 USER MOD Set 4.3: A 50 HIS : no HD1:sc= 0.271! C(o=-0.19!,f=-13!) USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0392) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc=-0.00903 (180deg=-0.138) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -90:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 28 HIS : no HD1:sc= -0.991 K(o=-0.99,f=-1.6) USER MOD Single : A 30 MET CE :methyl 152:sc= 0 (180deg=-0.789) USER MOD Single : A 34 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-2.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= 0.122 F(o=-1.4,f=0.12) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc=-0.00204 (180deg=-0.128) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0142 F(o=-1.6!,f=-0.014) USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= 0.654 (180deg=0.496) USER MOD Single : A 71 SER OG : rot 70:sc= 0.204 USER MOD Single : A 78 SER OG : rot 84:sc= 0.444 USER MOD Single : A 80 LYS NZ :NH3+ 177:sc= 0.216 (180deg=0.213) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 90 TYR OH : rot -132:sc= 0.414 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.344 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -0.872 -13.617 4.155 1.00 0.00 N ATOM 84 CA LYS A 7 -2.108 -12.971 3.666 1.00 0.00 C ATOM 85 C LYS A 7 -3.345 -13.715 4.193 1.00 0.00 C ATOM 86 O LYS A 7 -4.400 -13.681 3.557 1.00 0.00 O ATOM 87 CB LYS A 7 -2.111 -12.953 2.108 1.00 0.00 C ATOM 88 CG LYS A 7 -0.813 -12.415 1.471 1.00 0.00 C ATOM 89 CD LYS A 7 -0.928 -12.233 -0.062 1.00 0.00 C ATOM 90 CE LYS A 7 0.441 -12.048 -0.738 1.00 0.00 C ATOM 91 NZ LYS A 7 1.232 -10.943 -0.135 1.00 0.00 N ATOM 0 HA LYS A 7 -2.141 -11.945 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.285 -13.966 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.948 -12.344 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.559 -11.459 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.005 -13.101 1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.427 -13.102 -0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.555 -11.367 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.007 -12.977 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.294 -11.847 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.107 -10.805 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.672 -10.067 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.471 -11.183 0.848 1.00 0.00 H new ATOM 105 N ILE A 8 -3.214 -14.333 5.384 1.00 0.00 N ATOM 106 CA ILE A 8 -4.243 -15.234 5.967 1.00 0.00 C ATOM 107 C ILE A 8 -5.635 -14.567 6.033 1.00 0.00 C ATOM 108 O ILE A 8 -6.642 -15.165 5.632 1.00 0.00 O ATOM 109 CB ILE A 8 -3.813 -15.723 7.408 1.00 0.00 C ATOM 110 CG1 ILE A 8 -2.438 -16.468 7.345 1.00 0.00 C ATOM 111 CG2 ILE A 8 -4.899 -16.615 8.068 1.00 0.00 C ATOM 112 CD1 ILE A 8 -1.970 -17.077 8.661 1.00 0.00 C ATOM 0 H ILE A 8 -2.390 -14.224 5.975 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.318 -16.095 5.303 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.702 -14.839 8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.506 -17.261 6.600 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.679 -15.768 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.562 -16.928 9.056 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.826 -16.049 8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.073 -17.495 7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.009 -17.570 8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.863 -16.291 9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.703 -17.807 9.005 1.00 0.00 H new ATOM 124 N PHE A 9 -5.673 -13.313 6.501 1.00 0.00 N ATOM 125 CA PHE A 9 -6.932 -12.567 6.676 1.00 0.00 C ATOM 126 C PHE A 9 -7.030 -11.398 5.673 1.00 0.00 C ATOM 127 O PHE A 9 -7.887 -10.540 5.836 1.00 0.00 O ATOM 128 CB PHE A 9 -7.058 -12.055 8.143 1.00 0.00 C ATOM 129 CG PHE A 9 -7.011 -13.156 9.202 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.066 -14.063 9.339 1.00 0.00 C ATOM 131 CD2 PHE A 9 -5.915 -13.294 10.053 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.021 -15.067 10.293 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.874 -14.295 11.003 1.00 0.00 C ATOM 134 CZ PHE A 9 -6.925 -15.181 11.125 1.00 0.00 C ATOM 0 H PHE A 9 -4.840 -12.788 6.768 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.762 -13.245 6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.254 -11.346 8.338 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.996 -11.509 8.245 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.927 -13.980 8.693 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.086 -12.607 9.968 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.844 -15.761 10.386 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.016 -14.385 11.653 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.890 -15.962 11.870 1.00 0.00 H new ATOM 144 N LYS A 10 -6.189 -11.398 4.615 1.00 0.00 N ATOM 145 CA LYS A 10 -6.055 -10.252 3.668 1.00 0.00 C ATOM 146 C LYS A 10 -7.403 -9.851 3.015 1.00 0.00 C ATOM 147 O LYS A 10 -7.702 -8.657 2.874 1.00 0.00 O ATOM 148 CB LYS A 10 -5.004 -10.576 2.574 1.00 0.00 C ATOM 149 CG LYS A 10 -4.622 -9.388 1.656 1.00 0.00 C ATOM 150 CD LYS A 10 -3.851 -8.272 2.404 1.00 0.00 C ATOM 151 CE LYS A 10 -3.605 -7.030 1.535 1.00 0.00 C ATOM 152 NZ LYS A 10 -4.873 -6.363 1.134 1.00 0.00 N ATOM 0 H LYS A 10 -5.583 -12.186 4.388 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.719 -9.396 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.100 -10.945 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.387 -11.386 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.011 -9.755 0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.528 -8.967 1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.412 -7.982 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.894 -8.665 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.982 -6.323 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.050 -7.318 0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.659 -5.444 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.379 -6.962 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.469 -6.216 1.974 1.00 0.00 H new ATOM 166 N ASN A 11 -8.209 -10.853 2.623 1.00 0.00 N ATOM 167 CA ASN A 11 -9.554 -10.629 2.035 1.00 0.00 C ATOM 168 C ASN A 11 -10.666 -10.761 3.103 1.00 0.00 C ATOM 169 O ASN A 11 -11.849 -10.554 2.808 1.00 0.00 O ATOM 170 CB ASN A 11 -9.808 -11.628 0.871 1.00 0.00 C ATOM 171 CG ASN A 11 -8.894 -11.430 -0.344 1.00 0.00 C ATOM 172 OD1 ASN A 11 -8.413 -10.331 -0.613 1.00 0.00 O ATOM 173 ND2 ASN A 11 -8.663 -12.497 -1.103 1.00 0.00 N ATOM 0 H ASN A 11 -7.954 -11.838 2.701 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.582 -9.612 1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.680 -12.644 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.845 -11.536 0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.074 -12.415 -1.932 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.075 -13.397 -0.856 1.00 0.00 H new ATOM 180 N CYS A 12 -10.274 -11.120 4.335 1.00 0.00 N ATOM 181 CA CYS A 12 -11.195 -11.324 5.464 1.00 0.00 C ATOM 182 C CYS A 12 -11.227 -10.079 6.372 1.00 0.00 C ATOM 183 O CYS A 12 -10.178 -9.563 6.801 1.00 0.00 O ATOM 184 CB CYS A 12 -10.756 -12.569 6.265 1.00 0.00 C ATOM 185 SG CYS A 12 -11.792 -12.949 7.690 1.00 0.00 S ATOM 0 H CYS A 12 -9.296 -11.279 4.578 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.202 -11.483 5.079 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.749 -13.431 5.597 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.731 -12.422 6.606 1.00 0.00 H new ATOM 0 HG CYS A 12 -13.044 -12.831 7.360 1.00 0.00 H new ATOM 191 N VAL A 13 -12.439 -9.570 6.630 1.00 0.00 N ATOM 192 CA VAL A 13 -12.656 -8.486 7.594 1.00 0.00 C ATOM 193 C VAL A 13 -13.311 -9.074 8.855 1.00 0.00 C ATOM 194 O VAL A 13 -14.249 -9.873 8.750 1.00 0.00 O ATOM 195 CB VAL A 13 -13.541 -7.334 7.008 1.00 0.00 C ATOM 196 CG1 VAL A 13 -13.622 -6.146 7.998 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.017 -6.862 5.632 1.00 0.00 C ATOM 0 H VAL A 13 -13.293 -9.897 6.178 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.690 -8.044 7.836 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.545 -7.732 6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.241 -5.358 7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.061 -6.484 8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.620 -5.759 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.654 -6.062 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.997 -6.493 5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.030 -7.697 4.932 1.00 0.00 H new ATOM 207 N ILE A 14 -12.802 -8.684 10.042 1.00 0.00 N ATOM 208 CA ILE A 14 -13.242 -9.241 11.338 1.00 0.00 C ATOM 209 C ILE A 14 -13.689 -8.116 12.316 1.00 0.00 C ATOM 210 O ILE A 14 -12.957 -7.156 12.545 1.00 0.00 O ATOM 211 CB ILE A 14 -12.117 -10.112 12.031 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.656 -11.345 11.160 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.565 -10.570 13.434 1.00 0.00 C ATOM 214 CD1 ILE A 14 -10.595 -11.036 10.117 1.00 0.00 C ATOM 0 H ILE A 14 -12.075 -7.974 10.129 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.091 -9.888 11.115 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.246 -9.464 12.129 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.274 -12.118 11.826 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.529 -11.761 10.656 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.776 -11.167 13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.765 -9.697 14.055 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.471 -11.170 13.349 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.345 -11.946 9.571 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.976 -10.288 9.421 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.702 -10.652 10.609 1.00 0.00 H new ATOM 226 N TYR A 15 -14.898 -8.267 12.884 1.00 0.00 N ATOM 227 CA TYR A 15 -15.432 -7.426 13.971 1.00 0.00 C ATOM 228 C TYR A 15 -15.595 -8.299 15.212 1.00 0.00 C ATOM 229 O TYR A 15 -16.340 -9.270 15.187 1.00 0.00 O ATOM 230 CB TYR A 15 -16.796 -6.807 13.555 1.00 0.00 C ATOM 231 CG TYR A 15 -17.684 -6.276 14.708 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.209 -5.340 15.631 1.00 0.00 C ATOM 233 CD2 TYR A 15 -19.002 -6.723 14.870 1.00 0.00 C ATOM 234 CE1 TYR A 15 -18.008 -4.879 16.661 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.800 -6.261 15.895 1.00 0.00 C ATOM 236 CZ TYR A 15 -19.299 -5.340 16.788 1.00 0.00 C ATOM 237 OH TYR A 15 -20.095 -4.877 17.813 1.00 0.00 O ATOM 0 H TYR A 15 -15.549 -8.997 12.592 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.746 -6.606 14.182 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.604 -5.986 12.864 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.361 -7.560 13.006 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.199 -4.970 15.538 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.402 -7.447 14.175 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.620 -4.158 17.365 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.814 -6.620 15.997 1.00 0.00 H new ATOM 0 HH TYR A 15 -20.562 -5.631 18.231 1.00 0.00 H new ATOM 247 N ILE A 16 -14.912 -7.940 16.298 1.00 0.00 N ATOM 248 CA ILE A 16 -14.975 -8.688 17.549 1.00 0.00 C ATOM 249 C ILE A 16 -16.059 -8.075 18.445 1.00 0.00 C ATOM 250 O ILE A 16 -15.914 -6.947 18.941 1.00 0.00 O ATOM 251 CB ILE A 16 -13.581 -8.695 18.255 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.494 -9.227 17.260 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.624 -9.535 19.559 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.074 -9.182 17.779 1.00 0.00 C ATOM 0 H ILE A 16 -14.301 -7.124 16.334 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.237 -9.726 17.345 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.318 -7.677 18.541 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.736 -10.257 16.998 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.548 -8.643 16.341 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.642 -9.524 20.031 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.360 -9.110 20.242 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.901 -10.562 19.321 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.396 -9.571 17.019 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.805 -8.152 18.013 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.996 -9.791 18.680 1.00 0.00 H new ATOM 266 N ASN A 17 -17.151 -8.827 18.601 1.00 0.00 N ATOM 267 CA ASN A 17 -18.320 -8.443 19.393 1.00 0.00 C ATOM 268 C ASN A 17 -18.240 -9.099 20.783 1.00 0.00 C ATOM 269 O ASN A 17 -18.121 -10.326 20.885 1.00 0.00 O ATOM 270 CB ASN A 17 -19.612 -8.903 18.657 1.00 0.00 C ATOM 271 CG ASN A 17 -20.895 -8.371 19.299 1.00 0.00 C ATOM 272 OD1 ASN A 17 -21.398 -7.316 18.923 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.431 -9.093 20.271 1.00 0.00 N ATOM 0 H ASN A 17 -17.248 -9.745 18.168 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.343 -7.360 19.515 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.569 -8.572 17.619 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.646 -9.992 18.643 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.285 -8.777 20.730 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -20.989 -9.965 20.561 1.00 0.00 H new ATOM 280 N GLY A 18 -18.291 -8.272 21.837 1.00 0.00 N ATOM 281 CA GLY A 18 -18.331 -8.759 23.221 1.00 0.00 C ATOM 282 C GLY A 18 -16.990 -9.285 23.731 1.00 0.00 C ATOM 283 O GLY A 18 -15.930 -8.955 23.173 1.00 0.00 O ATOM 0 H GLY A 18 -18.306 -7.255 21.755 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.664 -7.950 23.871 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.074 -9.553 23.295 1.00 0.00 H new ATOM 287 N TYR A 19 -17.048 -10.110 24.794 1.00 0.00 N ATOM 288 CA TYR A 19 -15.861 -10.672 25.460 1.00 0.00 C ATOM 289 C TYR A 19 -15.450 -11.996 24.801 1.00 0.00 C ATOM 290 O TYR A 19 -16.257 -12.930 24.708 1.00 0.00 O ATOM 291 CB TYR A 19 -16.131 -10.870 26.972 1.00 0.00 C ATOM 292 CG TYR A 19 -16.418 -9.549 27.711 1.00 0.00 C ATOM 293 CD1 TYR A 19 -15.378 -8.660 28.028 1.00 0.00 C ATOM 294 CD2 TYR A 19 -17.718 -9.171 28.062 1.00 0.00 C ATOM 295 CE1 TYR A 19 -15.628 -7.461 28.673 1.00 0.00 C ATOM 296 CE2 TYR A 19 -17.966 -7.971 28.704 1.00 0.00 C ATOM 297 CZ TYR A 19 -16.920 -7.120 29.006 1.00 0.00 C ATOM 298 OH TYR A 19 -17.172 -5.926 29.647 1.00 0.00 O ATOM 0 H TYR A 19 -17.928 -10.406 25.217 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.036 -9.968 25.350 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.979 -11.542 27.099 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.269 -11.355 27.429 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.363 -8.917 27.763 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.543 -9.828 27.828 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.813 -6.795 28.914 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.977 -7.699 28.969 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.135 -5.838 29.809 1.00 0.00 H new ATOM 308 N THR A 20 -14.199 -12.033 24.328 1.00 0.00 N ATOM 309 CA THR A 20 -13.590 -13.181 23.648 1.00 0.00 C ATOM 310 C THR A 20 -12.200 -13.435 24.247 1.00 0.00 C ATOM 311 O THR A 20 -11.527 -12.472 24.655 1.00 0.00 O ATOM 312 CB THR A 20 -13.443 -12.885 22.117 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.646 -11.695 21.918 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.810 -12.696 21.433 1.00 0.00 C ATOM 0 H THR A 20 -13.563 -11.240 24.411 1.00 0.00 H new ATOM 0 HA THR A 20 -14.225 -14.057 23.782 1.00 0.00 H new ATOM 0 HB THR A 20 -12.953 -13.748 21.666 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.231 -10.909 21.898 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.661 -12.493 20.372 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.403 -13.603 21.549 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.334 -11.858 21.893 1.00 0.00 H new ATOM 322 N LYS A 21 -11.766 -14.716 24.324 1.00 0.00 N ATOM 323 CA LYS A 21 -10.396 -15.057 24.767 1.00 0.00 C ATOM 324 C LYS A 21 -9.548 -15.657 23.617 1.00 0.00 C ATOM 325 O LYS A 21 -10.007 -16.560 22.912 1.00 0.00 O ATOM 326 CB LYS A 21 -10.375 -15.969 26.014 1.00 0.00 C ATOM 327 CG LYS A 21 -10.952 -15.285 27.280 1.00 0.00 C ATOM 328 CD LYS A 21 -10.146 -14.018 27.682 1.00 0.00 C ATOM 329 CE LYS A 21 -10.781 -13.253 28.849 1.00 0.00 C ATOM 330 NZ LYS A 21 -9.973 -12.076 29.240 1.00 0.00 N ATOM 0 H LYS A 21 -12.342 -15.524 24.087 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.935 -14.114 25.063 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.947 -16.873 25.805 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.349 -16.279 26.212 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.992 -15.010 27.101 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.948 -15.994 28.108 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.132 -14.310 27.954 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.066 -13.355 26.820 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.783 -12.929 28.569 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.889 -13.920 29.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.435 -11.585 30.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.025 -12.387 29.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.891 -11.427 28.431 1.00 0.00 H new ATOM 344 N PRO A 22 -8.289 -15.135 23.391 1.00 0.00 N ATOM 345 CA PRO A 22 -7.689 -14.026 24.184 1.00 0.00 C ATOM 346 C PRO A 22 -8.331 -12.664 23.825 1.00 0.00 C ATOM 347 O PRO A 22 -9.137 -12.586 22.882 1.00 0.00 O ATOM 348 CB PRO A 22 -6.199 -14.095 23.797 1.00 0.00 C ATOM 349 CG PRO A 22 -6.228 -14.554 22.371 1.00 0.00 C ATOM 350 CD PRO A 22 -7.366 -15.569 22.310 1.00 0.00 C ATOM 0 HA PRO A 22 -7.847 -14.122 25.258 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.713 -13.124 23.896 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.651 -14.792 24.432 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.405 -13.721 21.691 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.279 -15.006 22.082 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.858 -15.560 21.337 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.005 -16.584 22.476 1.00 0.00 H new ATOM 358 N GLY A 23 -7.985 -11.622 24.603 1.00 0.00 N ATOM 359 CA GLY A 23 -8.599 -10.293 24.490 1.00 0.00 C ATOM 360 C GLY A 23 -8.657 -9.742 23.069 1.00 0.00 C ATOM 361 O GLY A 23 -7.760 -10.023 22.266 1.00 0.00 O ATOM 0 H GLY A 23 -7.270 -11.682 25.328 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.612 -10.339 24.890 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.042 -9.595 25.114 1.00 0.00 H new ATOM 365 N ARG A 24 -9.714 -8.950 22.777 1.00 0.00 N ATOM 366 CA ARG A 24 -9.989 -8.413 21.427 1.00 0.00 C ATOM 367 C ARG A 24 -8.780 -7.683 20.831 1.00 0.00 C ATOM 368 O ARG A 24 -8.551 -7.775 19.637 1.00 0.00 O ATOM 369 CB ARG A 24 -11.248 -7.501 21.430 1.00 0.00 C ATOM 370 CG ARG A 24 -11.197 -6.320 22.422 1.00 0.00 C ATOM 371 CD ARG A 24 -12.394 -5.360 22.270 1.00 0.00 C ATOM 372 NE ARG A 24 -13.700 -6.039 22.407 1.00 0.00 N ATOM 373 CZ ARG A 24 -14.867 -5.421 22.665 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.898 -4.128 22.966 1.00 0.00 N ATOM 375 NH2 ARG A 24 -16.000 -6.113 22.665 1.00 0.00 N ATOM 0 H ARG A 24 -10.402 -8.665 23.474 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.191 -9.269 20.783 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.394 -7.105 20.425 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.120 -8.112 21.661 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.175 -6.708 23.441 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.271 -5.765 22.272 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.319 -4.573 23.021 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.343 -4.876 21.295 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.718 -7.053 22.298 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.031 -3.592 23.004 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.789 -3.671 23.160 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.986 -7.114 22.469 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.884 -5.644 22.861 1.00 0.00 H new ATOM 389 N LEU A 25 -8.023 -6.975 21.679 1.00 0.00 N ATOM 390 CA LEU A 25 -6.801 -6.252 21.267 1.00 0.00 C ATOM 391 C LEU A 25 -5.748 -7.213 20.651 1.00 0.00 C ATOM 392 O LEU A 25 -5.176 -6.907 19.601 1.00 0.00 O ATOM 393 CB LEU A 25 -6.250 -5.435 22.478 1.00 0.00 C ATOM 394 CG LEU A 25 -5.987 -6.223 23.824 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.557 -6.802 23.909 1.00 0.00 C ATOM 396 CD2 LEU A 25 -6.302 -5.357 25.067 1.00 0.00 C ATOM 0 H LEU A 25 -8.236 -6.884 22.672 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.048 -5.547 20.473 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.314 -4.968 22.172 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.954 -4.630 22.690 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.675 -7.069 23.815 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.435 -7.332 24.854 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.394 -7.493 23.082 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.832 -5.990 23.852 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.109 -5.934 25.971 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.670 -4.469 25.061 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.350 -5.057 25.045 1.00 0.00 H new ATOM 408 N GLN A 26 -5.563 -8.388 21.284 1.00 0.00 N ATOM 409 CA GLN A 26 -4.598 -9.420 20.842 1.00 0.00 C ATOM 410 C GLN A 26 -5.042 -10.027 19.498 1.00 0.00 C ATOM 411 O GLN A 26 -4.256 -10.100 18.550 1.00 0.00 O ATOM 412 CB GLN A 26 -4.462 -10.520 21.938 1.00 0.00 C ATOM 413 CG GLN A 26 -3.588 -11.739 21.556 1.00 0.00 C ATOM 414 CD GLN A 26 -2.147 -11.383 21.165 1.00 0.00 C ATOM 415 OE1 GLN A 26 -1.840 -11.177 19.990 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.264 -11.280 22.149 1.00 0.00 N ATOM 0 H GLN A 26 -6.081 -8.652 22.122 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.621 -8.959 20.694 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.045 -10.064 22.836 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.459 -10.877 22.195 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.564 -12.432 22.397 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.059 -12.263 20.725 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.550 -11.457 23.112 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.298 -11.024 21.943 1.00 0.00 H new ATOM 425 N LEU A 27 -6.321 -10.443 19.440 1.00 0.00 N ATOM 426 CA LEU A 27 -6.958 -10.953 18.206 1.00 0.00 C ATOM 427 C LEU A 27 -6.861 -9.933 17.048 1.00 0.00 C ATOM 428 O LEU A 27 -6.583 -10.313 15.921 1.00 0.00 O ATOM 429 CB LEU A 27 -8.440 -11.281 18.475 1.00 0.00 C ATOM 430 CG LEU A 27 -8.725 -12.429 19.478 1.00 0.00 C ATOM 431 CD1 LEU A 27 -10.231 -12.505 19.806 1.00 0.00 C ATOM 432 CD2 LEU A 27 -8.198 -13.777 18.935 1.00 0.00 C ATOM 0 H LEU A 27 -6.945 -10.436 20.247 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.424 -11.856 17.910 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.928 -10.378 18.843 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.911 -11.533 17.525 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.193 -12.215 20.405 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.409 -13.317 20.511 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.555 -11.563 20.248 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.794 -12.689 18.891 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.409 -14.567 19.656 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.691 -14.006 17.990 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.122 -13.709 18.776 1.00 0.00 H new ATOM 444 N HIS A 28 -7.073 -8.638 17.369 1.00 0.00 N ATOM 445 CA HIS A 28 -7.018 -7.524 16.384 1.00 0.00 C ATOM 446 C HIS A 28 -5.613 -7.402 15.773 1.00 0.00 C ATOM 447 O HIS A 28 -5.476 -7.140 14.581 1.00 0.00 O ATOM 448 CB HIS A 28 -7.478 -6.176 17.023 1.00 0.00 C ATOM 449 CG HIS A 28 -8.976 -5.995 17.087 1.00 0.00 C ATOM 450 ND1 HIS A 28 -9.644 -5.646 18.239 1.00 0.00 N ATOM 451 CD2 HIS A 28 -9.926 -6.091 16.126 1.00 0.00 C ATOM 452 CE1 HIS A 28 -10.933 -5.540 17.991 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.134 -5.801 16.715 1.00 0.00 N ATOM 0 H HIS A 28 -7.288 -8.330 18.318 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.715 -7.756 15.578 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.073 -6.110 18.033 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.049 -5.352 16.453 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.764 -6.348 15.089 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.696 -5.283 18.711 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.038 -5.790 16.242 1.00 0.00 H new ATOM 462 N GLU A 29 -4.588 -7.628 16.605 1.00 0.00 N ATOM 463 CA GLU A 29 -3.176 -7.642 16.166 1.00 0.00 C ATOM 464 C GLU A 29 -2.903 -8.857 15.261 1.00 0.00 C ATOM 465 O GLU A 29 -2.228 -8.742 14.233 1.00 0.00 O ATOM 466 CB GLU A 29 -2.246 -7.658 17.403 1.00 0.00 C ATOM 467 CG GLU A 29 -2.309 -6.368 18.243 1.00 0.00 C ATOM 468 CD GLU A 29 -1.585 -6.481 19.593 1.00 0.00 C ATOM 469 OE1 GLU A 29 -0.350 -6.690 19.600 1.00 0.00 O ATOM 470 OE2 GLU A 29 -2.241 -6.366 20.654 1.00 0.00 O ATOM 0 H GLU A 29 -4.708 -7.807 17.602 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.975 -6.741 15.586 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.511 -8.506 18.035 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.219 -7.816 17.072 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.870 -5.550 17.672 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.353 -6.109 18.420 1.00 0.00 H new ATOM 477 N MET A 30 -3.479 -10.012 15.644 1.00 0.00 N ATOM 478 CA MET A 30 -3.394 -11.267 14.859 1.00 0.00 C ATOM 479 C MET A 30 -3.998 -11.084 13.448 1.00 0.00 C ATOM 480 O MET A 30 -3.537 -11.693 12.480 1.00 0.00 O ATOM 481 CB MET A 30 -4.123 -12.424 15.599 1.00 0.00 C ATOM 482 CG MET A 30 -3.464 -12.896 16.898 1.00 0.00 C ATOM 483 SD MET A 30 -4.359 -14.284 17.642 1.00 0.00 S ATOM 484 CE MET A 30 -3.330 -14.691 19.053 1.00 0.00 C ATOM 0 H MET A 30 -4.017 -10.106 16.505 1.00 0.00 H new ATOM 0 HA MET A 30 -2.339 -11.521 14.753 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.140 -12.104 15.824 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.199 -13.274 14.921 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.435 -13.194 16.696 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.423 -12.068 17.606 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.946 -15.132 19.837 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.563 -15.404 18.750 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.855 -13.785 19.430 1.00 0.00 H new ATOM 494 N ILE A 31 -5.036 -10.241 13.362 1.00 0.00 N ATOM 495 CA ILE A 31 -5.706 -9.907 12.090 1.00 0.00 C ATOM 496 C ILE A 31 -4.794 -9.038 11.196 1.00 0.00 C ATOM 497 O ILE A 31 -4.462 -9.436 10.076 1.00 0.00 O ATOM 498 CB ILE A 31 -7.065 -9.155 12.387 1.00 0.00 C ATOM 499 CG1 ILE A 31 -8.041 -10.066 13.204 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.752 -8.645 11.097 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.198 -9.323 13.864 1.00 0.00 C ATOM 0 H ILE A 31 -5.438 -9.769 14.172 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.917 -10.832 11.553 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.815 -8.280 12.987 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.448 -10.828 12.540 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.473 -10.586 13.975 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.681 -8.136 11.356 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.089 -7.950 10.582 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.971 -9.489 10.443 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.822 -10.032 14.408 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.805 -8.579 14.557 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.795 -8.826 13.099 1.00 0.00 H new ATOM 513 N VAL A 32 -4.312 -7.919 11.755 1.00 0.00 N ATOM 514 CA VAL A 32 -3.604 -6.867 10.993 1.00 0.00 C ATOM 515 C VAL A 32 -2.258 -7.367 10.420 1.00 0.00 C ATOM 516 O VAL A 32 -1.950 -7.143 9.242 1.00 0.00 O ATOM 517 CB VAL A 32 -3.383 -5.595 11.888 1.00 0.00 C ATOM 518 CG1 VAL A 32 -2.552 -4.522 11.149 1.00 0.00 C ATOM 519 CG2 VAL A 32 -4.736 -5.008 12.355 1.00 0.00 C ATOM 0 H VAL A 32 -4.400 -7.712 12.750 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.236 -6.600 10.146 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.820 -5.906 12.768 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.418 -3.656 11.797 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.577 -4.933 10.887 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.074 -4.219 10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.557 -4.128 12.973 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.330 -4.726 11.486 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.276 -5.756 12.936 1.00 0.00 H new ATOM 529 N LEU A 33 -1.486 -8.065 11.266 1.00 0.00 N ATOM 530 CA LEU A 33 -0.144 -8.583 10.910 1.00 0.00 C ATOM 531 C LEU A 33 -0.206 -9.650 9.793 1.00 0.00 C ATOM 532 O LEU A 33 0.790 -9.896 9.113 1.00 0.00 O ATOM 533 CB LEU A 33 0.574 -9.138 12.183 1.00 0.00 C ATOM 534 CG LEU A 33 1.329 -8.092 13.069 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.537 -7.489 12.313 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.387 -6.981 13.591 1.00 0.00 C ATOM 0 H LEU A 33 -1.769 -8.290 12.220 1.00 0.00 H new ATOM 0 HA LEU A 33 0.438 -7.751 10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.170 -9.638 12.804 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.289 -9.898 11.868 1.00 0.00 H new ATOM 0 HG LEU A 33 1.707 -8.626 13.941 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.042 -6.766 12.953 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.232 -8.284 12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.188 -6.991 11.408 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.955 -6.279 14.201 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.056 -6.453 12.747 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.403 -7.428 14.194 1.00 0.00 H new ATOM 548 N HIS A 34 -1.383 -10.266 9.616 1.00 0.00 N ATOM 549 CA HIS A 34 -1.624 -11.283 8.571 1.00 0.00 C ATOM 550 C HIS A 34 -2.443 -10.686 7.406 1.00 0.00 C ATOM 551 O HIS A 34 -3.162 -11.403 6.692 1.00 0.00 O ATOM 552 CB HIS A 34 -2.290 -12.513 9.224 1.00 0.00 C ATOM 553 CG HIS A 34 -1.379 -13.176 10.228 1.00 0.00 C ATOM 554 ND1 HIS A 34 -1.172 -12.685 11.502 1.00 0.00 N ATOM 555 CD2 HIS A 34 -0.567 -14.245 10.113 1.00 0.00 C ATOM 556 CE1 HIS A 34 -0.274 -13.423 12.116 1.00 0.00 C ATOM 557 NE2 HIS A 34 0.107 -14.378 11.295 1.00 0.00 N ATOM 0 H HIS A 34 -2.201 -10.075 10.194 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.683 -11.610 8.129 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.213 -12.208 9.717 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.564 -13.231 8.451 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.643 -11.875 11.904 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.467 -14.881 9.246 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.089 -13.271 13.122 1.00 0.00 H new ATOM 566 N GLY A 35 -2.305 -9.352 7.235 1.00 0.00 N ATOM 567 CA GLY A 35 -2.872 -8.615 6.099 1.00 0.00 C ATOM 568 C GLY A 35 -4.329 -8.254 6.270 1.00 0.00 C ATOM 569 O GLY A 35 -4.905 -7.584 5.410 1.00 0.00 O ATOM 0 H GLY A 35 -1.793 -8.759 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.297 -7.702 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.760 -9.216 5.196 1.00 0.00 H new ATOM 573 N GLY A 36 -4.906 -8.668 7.395 1.00 0.00 N ATOM 574 CA GLY A 36 -6.332 -8.586 7.622 1.00 0.00 C ATOM 575 C GLY A 36 -6.835 -7.207 7.932 1.00 0.00 C ATOM 576 O GLY A 36 -6.070 -6.324 8.355 1.00 0.00 O ATOM 0 H GLY A 36 -4.387 -9.071 8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.850 -8.957 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.594 -9.249 8.447 1.00 0.00 H new ATOM 580 N LYS A 37 -8.141 -7.034 7.740 1.00 0.00 N ATOM 581 CA LYS A 37 -8.843 -5.800 8.071 1.00 0.00 C ATOM 582 C LYS A 37 -9.802 -6.094 9.227 1.00 0.00 C ATOM 583 O LYS A 37 -10.332 -7.203 9.336 1.00 0.00 O ATOM 584 CB LYS A 37 -9.594 -5.255 6.817 1.00 0.00 C ATOM 585 CG LYS A 37 -10.285 -3.879 7.005 1.00 0.00 C ATOM 586 CD LYS A 37 -9.322 -2.769 7.519 1.00 0.00 C ATOM 587 CE LYS A 37 -8.097 -2.532 6.609 1.00 0.00 C ATOM 588 NZ LYS A 37 -8.479 -2.043 5.260 1.00 0.00 N ATOM 0 H LYS A 37 -8.746 -7.755 7.346 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.140 -5.027 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.884 -5.177 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.348 -5.984 6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.716 -3.564 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.110 -3.988 7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.877 -1.836 7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.975 -3.037 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.433 -1.808 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.536 -3.461 6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.623 -1.899 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.091 -2.745 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.991 -1.142 5.349 1.00 0.00 H new ATOM 602 N PHE A 38 -9.984 -5.108 10.100 1.00 0.00 N ATOM 603 CA PHE A 38 -10.875 -5.209 11.258 1.00 0.00 C ATOM 604 C PHE A 38 -11.839 -4.017 11.262 1.00 0.00 C ATOM 605 O PHE A 38 -11.496 -2.932 10.776 1.00 0.00 O ATOM 606 CB PHE A 38 -10.049 -5.271 12.575 1.00 0.00 C ATOM 607 CG PHE A 38 -9.286 -3.986 12.920 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.117 -3.638 12.244 1.00 0.00 C ATOM 609 CD2 PHE A 38 -9.747 -3.120 13.917 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.436 -2.472 12.549 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.064 -1.957 14.221 1.00 0.00 C ATOM 612 CZ PHE A 38 -7.911 -1.634 13.538 1.00 0.00 C ATOM 0 H PHE A 38 -9.514 -4.206 10.025 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.457 -6.128 11.191 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.723 -5.508 13.398 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.335 -6.091 12.501 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.737 -4.289 11.470 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.650 -3.363 14.457 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.533 -2.218 12.013 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.434 -1.301 14.995 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.379 -0.725 13.777 1.00 0.00 H new ATOM 622 N LEU A 39 -13.046 -4.232 11.801 1.00 0.00 N ATOM 623 CA LEU A 39 -14.040 -3.174 12.006 1.00 0.00 C ATOM 624 C LEU A 39 -14.301 -3.024 13.512 1.00 0.00 C ATOM 625 O LEU A 39 -14.553 -4.012 14.213 1.00 0.00 O ATOM 626 CB LEU A 39 -15.358 -3.452 11.195 1.00 0.00 C ATOM 627 CG LEU A 39 -15.590 -2.544 9.940 1.00 0.00 C ATOM 628 CD1 LEU A 39 -15.712 -1.062 10.339 1.00 0.00 C ATOM 629 CD2 LEU A 39 -14.489 -2.742 8.878 1.00 0.00 C ATOM 0 H LEU A 39 -13.361 -5.152 12.109 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.651 -2.231 11.623 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.350 -4.493 10.871 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.208 -3.334 11.867 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.535 -2.851 9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.872 -0.457 9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.555 -0.936 11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.795 -0.742 10.834 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.687 -2.094 8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.519 -2.490 9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.482 -3.782 8.551 1.00 0.00 H new ATOM 641 N HIS A 40 -14.203 -1.769 13.985 1.00 0.00 N ATOM 642 CA HIS A 40 -14.423 -1.385 15.390 1.00 0.00 C ATOM 643 C HIS A 40 -15.887 -1.634 15.826 1.00 0.00 C ATOM 644 O HIS A 40 -16.123 -2.139 16.930 1.00 0.00 O ATOM 645 CB HIS A 40 -13.988 0.103 15.628 1.00 0.00 C ATOM 646 CG HIS A 40 -14.622 1.155 14.725 1.00 0.00 C ATOM 647 ND1 HIS A 40 -14.946 1.135 13.401 1.00 0.00 N flip ATOM 648 CD2 HIS A 40 -14.933 2.434 15.152 1.00 0.00 C flip ATOM 649 CE1 HIS A 40 -15.425 2.375 13.068 1.00 0.00 C flip ATOM 650 NE2 HIS A 40 -15.411 3.138 14.139 1.00 0.00 N flip ATOM 0 H HIS A 40 -13.964 -0.977 13.388 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.797 -2.020 16.017 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.214 0.362 16.662 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.906 0.164 15.513 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -14.805 2.802 16.159 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -15.759 2.676 12.086 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.717 4.110 14.182 1.00 0.00 H new ATOM 659 N TYR A 41 -16.845 -1.290 14.945 1.00 0.00 N ATOM 660 CA TYR A 41 -18.273 -1.619 15.121 1.00 0.00 C ATOM 661 C TYR A 41 -19.015 -1.413 13.791 1.00 0.00 C ATOM 662 O TYR A 41 -18.514 -0.722 12.890 1.00 0.00 O ATOM 663 CB TYR A 41 -18.940 -0.803 16.278 1.00 0.00 C ATOM 664 CG TYR A 41 -19.159 0.699 16.012 1.00 0.00 C ATOM 665 CD1 TYR A 41 -18.158 1.641 16.267 1.00 0.00 C ATOM 666 CD2 TYR A 41 -20.377 1.174 15.503 1.00 0.00 C ATOM 667 CE1 TYR A 41 -18.365 2.989 16.027 1.00 0.00 C ATOM 668 CE2 TYR A 41 -20.580 2.515 15.263 1.00 0.00 C ATOM 669 CZ TYR A 41 -19.576 3.419 15.525 1.00 0.00 C ATOM 670 OH TYR A 41 -19.780 4.759 15.278 1.00 0.00 O ATOM 0 H TYR A 41 -16.650 -0.774 14.087 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.343 -2.667 15.414 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.906 -1.255 16.504 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.323 -0.907 17.170 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -17.207 1.312 16.658 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -21.172 0.473 15.295 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.580 3.702 16.232 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -21.526 2.857 14.870 1.00 0.00 H new ATOM 0 HH TYR A 41 -20.685 4.893 14.926 1.00 0.00 H new ATOM 743 N LYS A 46 -22.727 -3.815 6.284 1.00 0.00 N ATOM 744 CA LYS A 46 -22.007 -5.093 6.108 1.00 0.00 C ATOM 745 C LYS A 46 -20.631 -4.828 5.471 1.00 0.00 C ATOM 746 O LYS A 46 -20.321 -5.254 4.350 1.00 0.00 O ATOM 747 CB LYS A 46 -22.856 -6.165 5.324 1.00 0.00 C ATOM 748 CG LYS A 46 -23.461 -5.738 3.950 1.00 0.00 C ATOM 749 CD LYS A 46 -24.712 -4.807 4.036 1.00 0.00 C ATOM 750 CE LYS A 46 -25.948 -5.449 4.714 1.00 0.00 C ATOM 751 NZ LYS A 46 -25.851 -5.486 6.197 1.00 0.00 N ATOM 0 HA LYS A 46 -21.843 -5.536 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.225 -7.038 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -23.676 -6.483 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -22.688 -5.230 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -23.734 -6.636 3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -24.440 -3.905 4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -24.987 -4.496 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -26.841 -4.892 4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -26.073 -6.465 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -25.607 -6.449 6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -25.114 -4.824 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -26.764 -5.210 6.612 1.00 0.00 H new ATOM 765 N THR A 47 -19.812 -4.073 6.217 1.00 0.00 N ATOM 766 CA THR A 47 -18.418 -3.772 5.857 1.00 0.00 C ATOM 767 C THR A 47 -17.484 -4.888 6.382 1.00 0.00 C ATOM 768 O THR A 47 -16.294 -4.932 6.049 1.00 0.00 O ATOM 769 CB THR A 47 -18.012 -2.384 6.453 1.00 0.00 C ATOM 770 OG1 THR A 47 -19.099 -1.469 6.274 1.00 0.00 O ATOM 771 CG2 THR A 47 -16.747 -1.797 5.791 1.00 0.00 C ATOM 0 H THR A 47 -20.102 -3.649 7.098 1.00 0.00 H new ATOM 0 HA THR A 47 -18.323 -3.729 4.772 1.00 0.00 H new ATOM 0 HB THR A 47 -17.787 -2.533 7.509 1.00 0.00 H new ATOM 0 HG1 THR A 47 -18.856 -0.595 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 47 -16.513 -0.834 6.244 1.00 0.00 H new ATOM 0 HG22 THR A 47 -15.910 -2.480 5.937 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.924 -1.662 4.724 1.00 0.00 H new ATOM 779 N VAL A 48 -18.053 -5.795 7.202 1.00 0.00 N ATOM 780 CA VAL A 48 -17.332 -6.929 7.790 1.00 0.00 C ATOM 781 C VAL A 48 -17.864 -8.255 7.203 1.00 0.00 C ATOM 782 O VAL A 48 -19.003 -8.311 6.725 1.00 0.00 O ATOM 783 CB VAL A 48 -17.469 -6.917 9.358 1.00 0.00 C ATOM 784 CG1 VAL A 48 -18.893 -7.306 9.825 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.412 -7.806 10.022 1.00 0.00 C ATOM 0 H VAL A 48 -19.035 -5.755 7.474 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.274 -6.840 7.543 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.294 -5.890 9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.938 -7.283 10.914 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.615 -6.599 9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.130 -8.310 9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.537 -7.773 11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.529 -8.832 9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.417 -7.446 9.761 1.00 0.00 H new ATOM 795 N THR A 49 -17.029 -9.314 7.230 1.00 0.00 N ATOM 796 CA THR A 49 -17.406 -10.651 6.734 1.00 0.00 C ATOM 797 C THR A 49 -17.515 -11.665 7.890 1.00 0.00 C ATOM 798 O THR A 49 -18.320 -12.595 7.830 1.00 0.00 O ATOM 799 CB THR A 49 -16.374 -11.155 5.672 1.00 0.00 C ATOM 800 OG1 THR A 49 -15.056 -11.212 6.244 1.00 0.00 O ATOM 801 CG2 THR A 49 -16.332 -10.242 4.432 1.00 0.00 C ATOM 0 H THR A 49 -16.078 -9.266 7.595 1.00 0.00 H new ATOM 0 HA THR A 49 -18.385 -10.566 6.262 1.00 0.00 H new ATOM 0 HB THR A 49 -16.697 -12.149 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.938 -12.066 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.603 -10.628 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 49 -17.317 -10.217 3.965 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.047 -9.234 4.732 1.00 0.00 H new ATOM 809 N HIS A 50 -16.709 -11.465 8.950 1.00 0.00 N ATOM 810 CA HIS A 50 -16.617 -12.389 10.102 1.00 0.00 C ATOM 811 C HIS A 50 -16.801 -11.618 11.406 1.00 0.00 C ATOM 812 O HIS A 50 -16.204 -10.562 11.578 1.00 0.00 O ATOM 813 CB HIS A 50 -15.248 -13.123 10.122 1.00 0.00 C ATOM 814 CG HIS A 50 -15.042 -14.076 8.978 1.00 0.00 C ATOM 815 ND1 HIS A 50 -14.590 -13.677 7.745 1.00 0.00 N ATOM 816 CD2 HIS A 50 -15.237 -15.417 8.887 1.00 0.00 C ATOM 817 CE1 HIS A 50 -14.513 -14.720 6.944 1.00 0.00 C ATOM 818 NE2 HIS A 50 -14.897 -15.791 7.612 1.00 0.00 N ATOM 0 H HIS A 50 -16.098 -10.653 9.034 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.407 -13.133 10.001 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.450 -12.380 10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.157 -13.673 11.059 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -15.593 -16.067 9.672 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.190 -14.702 5.914 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.935 -16.741 7.241 1.00 0.00 H new ATOM 827 N ILE A 51 -17.630 -12.144 12.321 1.00 0.00 N ATOM 828 CA ILE A 51 -17.882 -11.521 13.633 1.00 0.00 C ATOM 829 C ILE A 51 -17.512 -12.503 14.755 1.00 0.00 C ATOM 830 O ILE A 51 -18.128 -13.547 14.918 1.00 0.00 O ATOM 831 CB ILE A 51 -19.366 -11.006 13.754 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.601 -9.863 12.704 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.698 -10.534 15.199 1.00 0.00 C ATOM 834 CD1 ILE A 51 -20.946 -9.171 12.772 1.00 0.00 C ATOM 0 H ILE A 51 -18.145 -13.012 12.174 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.247 -10.641 13.732 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.044 -11.832 13.540 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.821 -9.113 12.831 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.480 -10.283 11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.730 -10.187 15.240 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.567 -11.365 15.892 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.030 -9.719 15.478 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -20.998 -8.401 12.002 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.739 -9.901 12.610 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.070 -8.713 13.753 1.00 0.00 H new ATOM 846 N VAL A 52 -16.485 -12.138 15.516 1.00 0.00 N ATOM 847 CA VAL A 52 -15.909 -12.970 16.571 1.00 0.00 C ATOM 848 C VAL A 52 -16.595 -12.690 17.903 1.00 0.00 C ATOM 849 O VAL A 52 -16.548 -11.568 18.411 1.00 0.00 O ATOM 850 CB VAL A 52 -14.376 -12.693 16.672 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.718 -13.383 17.887 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.697 -13.104 15.362 1.00 0.00 C ATOM 0 H VAL A 52 -16.019 -11.236 15.416 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.065 -14.021 16.326 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.241 -11.623 16.832 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.653 -13.153 17.903 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.181 -13.022 18.805 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.855 -14.462 17.811 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.626 -12.911 15.431 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.864 -14.166 15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.117 -12.527 14.538 1.00 0.00 H new ATOM 862 N ALA A 53 -17.216 -13.726 18.465 1.00 0.00 N ATOM 863 CA ALA A 53 -17.907 -13.632 19.746 1.00 0.00 C ATOM 864 C ALA A 53 -17.898 -14.991 20.437 1.00 0.00 C ATOM 865 O ALA A 53 -18.076 -16.022 19.786 1.00 0.00 O ATOM 866 CB ALA A 53 -19.340 -13.127 19.546 1.00 0.00 C ATOM 0 H ALA A 53 -17.253 -14.654 18.043 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.386 -12.916 20.381 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.841 -13.063 20.512 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.317 -12.141 19.083 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.883 -13.818 18.901 1.00 0.00 H new ATOM 872 N SER A 54 -17.650 -14.983 21.753 1.00 0.00 N ATOM 873 CA SER A 54 -17.784 -16.178 22.599 1.00 0.00 C ATOM 874 C SER A 54 -19.247 -16.292 23.062 1.00 0.00 C ATOM 875 O SER A 54 -19.797 -17.390 23.190 1.00 0.00 O ATOM 876 CB SER A 54 -16.829 -16.088 23.808 1.00 0.00 C ATOM 877 OG SER A 54 -16.841 -17.286 24.572 1.00 0.00 O ATOM 0 H SER A 54 -17.351 -14.151 22.261 1.00 0.00 H new ATOM 0 HA SER A 54 -17.515 -17.068 22.031 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.816 -15.888 23.459 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.119 -15.249 24.440 1.00 0.00 H new ATOM 0 HG SER A 54 -16.225 -17.197 25.329 1.00 0.00 H new ATOM 883 N ASN A 55 -19.864 -15.114 23.299 1.00 0.00 N ATOM 884 CA ASN A 55 -21.290 -14.980 23.635 1.00 0.00 C ATOM 885 C ASN A 55 -21.926 -13.958 22.672 1.00 0.00 C ATOM 886 O ASN A 55 -21.750 -12.747 22.843 1.00 0.00 O ATOM 887 CB ASN A 55 -21.489 -14.523 25.115 1.00 0.00 C ATOM 888 CG ASN A 55 -20.905 -15.503 26.135 1.00 0.00 C ATOM 889 OD1 ASN A 55 -21.569 -16.446 26.562 1.00 0.00 O ATOM 890 ND2 ASN A 55 -19.665 -15.275 26.547 1.00 0.00 N ATOM 0 H ASN A 55 -19.375 -14.220 23.261 1.00 0.00 H new ATOM 0 HA ASN A 55 -21.772 -15.952 23.529 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -21.024 -13.547 25.252 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -22.554 -14.399 25.309 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -19.236 -15.891 27.238 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -19.141 -14.484 26.173 1.00 0.00 H new ATOM 897 N LEU A 56 -22.610 -14.459 21.626 1.00 0.00 N ATOM 898 CA LEU A 56 -23.326 -13.620 20.635 1.00 0.00 C ATOM 899 C LEU A 56 -24.842 -13.784 20.908 1.00 0.00 C ATOM 900 O LEU A 56 -25.392 -14.855 20.634 1.00 0.00 O ATOM 901 CB LEU A 56 -22.915 -14.037 19.173 1.00 0.00 C ATOM 902 CG LEU A 56 -23.114 -12.977 18.020 1.00 0.00 C ATOM 903 CD1 LEU A 56 -24.584 -12.773 17.646 1.00 0.00 C ATOM 904 CD2 LEU A 56 -22.456 -11.623 18.364 1.00 0.00 C ATOM 0 H LEU A 56 -22.684 -15.459 21.440 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.062 -12.567 20.729 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.863 -14.320 19.189 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.481 -14.930 18.908 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.611 -13.394 17.147 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.657 -12.033 16.849 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.007 -13.718 17.305 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.136 -12.422 18.518 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -22.616 -10.922 17.545 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.901 -11.224 19.275 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -21.386 -11.766 18.515 1.00 0.00 H new ATOM 916 N PRO A 57 -25.532 -12.733 21.473 1.00 0.00 N ATOM 917 CA PRO A 57 -26.964 -12.829 21.901 1.00 0.00 C ATOM 918 C PRO A 57 -27.928 -13.145 20.734 1.00 0.00 C ATOM 919 O PRO A 57 -27.647 -12.789 19.592 1.00 0.00 O ATOM 920 CB PRO A 57 -27.251 -11.431 22.524 1.00 0.00 C ATOM 921 CG PRO A 57 -26.221 -10.520 21.926 1.00 0.00 C ATOM 922 CD PRO A 57 -24.983 -11.369 21.742 1.00 0.00 C ATOM 0 HA PRO A 57 -27.125 -13.652 22.597 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -28.260 -11.094 22.288 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -27.170 -11.459 23.611 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -26.563 -10.114 20.974 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -26.021 -9.672 22.581 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -24.371 -11.012 20.914 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -24.353 -11.358 22.631 1.00 0.00 H new ATOM 930 N LEU A 58 -29.070 -13.794 21.057 1.00 0.00 N ATOM 931 CA LEU A 58 -30.028 -14.351 20.064 1.00 0.00 C ATOM 932 C LEU A 58 -30.593 -13.273 19.118 1.00 0.00 C ATOM 933 O LEU A 58 -30.804 -13.529 17.923 1.00 0.00 O ATOM 934 CB LEU A 58 -31.185 -15.082 20.795 1.00 0.00 C ATOM 935 CG LEU A 58 -30.764 -16.285 21.707 1.00 0.00 C ATOM 936 CD1 LEU A 58 -31.985 -16.910 22.411 1.00 0.00 C ATOM 937 CD2 LEU A 58 -29.977 -17.352 20.910 1.00 0.00 C ATOM 0 H LEU A 58 -29.359 -13.949 22.023 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.477 -15.060 19.446 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.719 -14.356 21.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.889 -15.447 20.047 1.00 0.00 H new ATOM 0 HG LEU A 58 -30.101 -15.891 22.477 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.659 -17.741 23.036 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.471 -16.158 23.033 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -32.690 -17.273 21.663 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -29.701 -18.172 21.574 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -30.599 -17.734 20.101 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -29.075 -16.903 20.493 1.00 0.00 H new ATOM 949 N LYS A 59 -30.811 -12.065 19.664 1.00 0.00 N ATOM 950 CA LYS A 59 -31.307 -10.910 18.894 1.00 0.00 C ATOM 951 C LYS A 59 -30.289 -10.529 17.803 1.00 0.00 C ATOM 952 O LYS A 59 -30.639 -10.321 16.635 1.00 0.00 O ATOM 953 CB LYS A 59 -31.578 -9.703 19.842 1.00 0.00 C ATOM 954 CG LYS A 59 -32.282 -8.493 19.172 1.00 0.00 C ATOM 955 CD LYS A 59 -33.686 -8.845 18.617 1.00 0.00 C ATOM 956 CE LYS A 59 -34.685 -9.263 19.712 1.00 0.00 C ATOM 957 NZ LYS A 59 -35.953 -9.772 19.141 1.00 0.00 N ATOM 0 H LYS A 59 -30.649 -11.861 20.650 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.246 -11.182 18.412 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -32.190 -10.045 20.676 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.629 -9.367 20.260 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -32.376 -7.686 19.898 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -31.658 -8.120 18.359 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -34.084 -7.983 18.081 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -33.591 -9.654 17.893 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -34.235 -10.033 20.339 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -34.895 -8.409 20.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -36.597 -10.042 19.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -36.396 -9.029 18.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -35.757 -10.602 18.546 1.00 0.00 H new ATOM 971 N LYS A 60 -29.013 -10.489 18.208 1.00 0.00 N ATOM 972 CA LYS A 60 -27.891 -10.147 17.315 1.00 0.00 C ATOM 973 C LYS A 60 -27.515 -11.343 16.417 1.00 0.00 C ATOM 974 O LYS A 60 -26.830 -11.164 15.427 1.00 0.00 O ATOM 975 CB LYS A 60 -26.661 -9.648 18.130 1.00 0.00 C ATOM 976 CG LYS A 60 -26.775 -8.202 18.686 1.00 0.00 C ATOM 977 CD LYS A 60 -27.927 -8.014 19.704 1.00 0.00 C ATOM 978 CE LYS A 60 -27.943 -6.618 20.348 1.00 0.00 C ATOM 979 NZ LYS A 60 -26.718 -6.358 21.152 1.00 0.00 N ATOM 0 H LYS A 60 -28.726 -10.693 19.165 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.214 -9.332 16.667 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -26.499 -10.329 18.965 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -25.777 -9.707 17.495 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -25.833 -7.930 19.163 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.921 -7.513 17.854 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -28.879 -8.187 19.202 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -27.838 -8.767 20.487 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -28.032 -5.861 19.569 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -28.822 -6.524 20.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -26.849 -5.493 21.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -26.543 -7.162 21.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -25.904 -6.237 20.516 1.00 0.00 H new ATOM 993 N ARG A 61 -27.941 -12.565 16.802 1.00 0.00 N ATOM 994 CA ARG A 61 -27.819 -13.774 15.949 1.00 0.00 C ATOM 995 C ARG A 61 -28.689 -13.652 14.695 1.00 0.00 C ATOM 996 O ARG A 61 -28.310 -14.135 13.626 1.00 0.00 O ATOM 997 CB ARG A 61 -28.154 -15.073 16.750 1.00 0.00 C ATOM 998 CG ARG A 61 -27.018 -15.553 17.694 1.00 0.00 C ATOM 999 CD ARG A 61 -25.920 -16.384 16.969 1.00 0.00 C ATOM 1000 NE ARG A 61 -25.394 -15.738 15.738 1.00 0.00 N ATOM 1001 CZ ARG A 61 -25.463 -16.265 14.496 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -25.971 -17.478 14.302 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -25.028 -15.578 13.455 1.00 0.00 N ATOM 0 H ARG A 61 -28.377 -12.744 17.707 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.780 -13.849 15.627 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -29.053 -14.899 17.342 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -28.386 -15.871 16.045 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -26.555 -14.685 18.164 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -27.450 -16.155 18.493 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -25.094 -16.557 17.659 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -26.329 -17.361 16.709 1.00 0.00 H new ATOM 0 HE ARG A 61 -24.947 -14.827 15.839 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -26.313 -18.020 15.095 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -26.018 -17.866 13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -24.638 -14.645 13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -25.082 -15.981 12.519 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.856 -13.010 14.846 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.733 -12.668 13.707 1.00 0.00 C ATOM 1019 C ILE A 62 -30.068 -11.573 12.845 1.00 0.00 C ATOM 1020 O ILE A 62 -29.998 -11.688 11.617 1.00 0.00 O ATOM 1021 CB ILE A 62 -32.142 -12.178 14.201 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.799 -13.243 15.143 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -33.076 -11.832 13.008 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -34.105 -12.807 15.792 1.00 0.00 C ATOM 0 H ILE A 62 -30.220 -12.713 15.751 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.878 -13.567 13.107 1.00 0.00 H new ATOM 0 HB ILE A 62 -31.995 -11.262 14.773 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.981 -14.151 14.569 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -32.088 -13.500 15.928 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -34.041 -11.497 13.387 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.625 -11.039 12.411 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -33.217 -12.717 12.388 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -34.483 -13.610 16.425 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.931 -11.918 16.399 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.838 -12.580 15.018 1.00 0.00 H new ATOM 1036 N GLU A 63 -29.560 -10.522 13.529 1.00 0.00 N ATOM 1037 CA GLU A 63 -28.862 -9.378 12.887 1.00 0.00 C ATOM 1038 C GLU A 63 -27.639 -9.843 12.071 1.00 0.00 C ATOM 1039 O GLU A 63 -27.381 -9.352 10.962 1.00 0.00 O ATOM 1040 CB GLU A 63 -28.396 -8.356 13.967 1.00 0.00 C ATOM 1041 CG GLU A 63 -29.530 -7.707 14.790 1.00 0.00 C ATOM 1042 CD GLU A 63 -30.459 -6.832 13.937 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -30.062 -5.692 13.581 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -31.581 -7.278 13.600 1.00 0.00 O ATOM 0 H GLU A 63 -29.621 -10.441 14.544 1.00 0.00 H new ATOM 0 HA GLU A 63 -29.571 -8.905 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -27.715 -8.861 14.652 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -27.827 -7.566 13.476 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -30.117 -8.489 15.272 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -29.095 -7.100 15.584 1.00 0.00 H new ATOM 1051 N PHE A 64 -26.910 -10.811 12.643 1.00 0.00 N ATOM 1052 CA PHE A 64 -25.616 -11.284 12.130 1.00 0.00 C ATOM 1053 C PHE A 64 -25.743 -12.708 11.561 1.00 0.00 C ATOM 1054 O PHE A 64 -24.768 -13.461 11.542 1.00 0.00 O ATOM 1055 CB PHE A 64 -24.532 -11.215 13.252 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.316 -9.830 13.887 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.493 -8.649 13.152 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -23.909 -9.709 15.220 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.277 -7.410 13.731 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -23.695 -8.468 15.796 1.00 0.00 C ATOM 1061 CZ PHE A 64 -23.879 -7.317 15.052 1.00 0.00 C ATOM 0 H PHE A 64 -27.208 -11.296 13.490 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.302 -10.631 11.316 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -24.806 -11.917 14.040 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -23.584 -11.556 12.837 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -24.802 -8.707 12.119 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -23.759 -10.600 15.811 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.420 -6.512 13.148 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -23.384 -8.399 16.828 1.00 0.00 H new ATOM 0 HZ PHE A 64 -23.712 -6.349 15.501 1.00 0.00 H new ATOM 1071 N ALA A 65 -26.957 -13.061 11.095 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.233 -14.372 10.466 1.00 0.00 C ATOM 1073 C ALA A 65 -26.422 -14.551 9.161 1.00 0.00 C ATOM 1074 O ALA A 65 -25.816 -15.601 8.936 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.739 -14.514 10.187 1.00 0.00 C ATOM 0 H ALA A 65 -27.772 -12.450 11.143 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.923 -15.154 11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.934 -15.481 9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -29.291 -14.443 11.124 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -29.061 -13.719 9.515 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.402 -13.491 8.327 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.661 -13.476 7.038 1.00 0.00 C ATOM 1083 C ASN A 66 -24.153 -13.261 7.278 1.00 0.00 C ATOM 1084 O ASN A 66 -23.311 -13.671 6.463 1.00 0.00 O ATOM 1085 CB ASN A 66 -26.225 -12.370 6.104 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.639 -12.649 5.552 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -28.493 -13.344 6.303 1.00 0.00 O flip ATOM 1088 ND2 ASN A 66 -27.972 -12.223 4.444 1.00 0.00 N flip ATOM 0 H ASN A 66 -26.896 -12.621 8.523 1.00 0.00 H new ATOM 0 HA ASN A 66 -25.795 -14.443 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -26.243 -11.427 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.542 -12.239 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -27.307 -11.693 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -28.912 -12.401 4.091 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.830 -12.610 8.406 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.446 -12.380 8.837 1.00 0.00 C ATOM 1097 C TYR A 67 -21.878 -13.698 9.395 1.00 0.00 C ATOM 1098 O TYR A 67 -22.567 -14.410 10.143 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.391 -11.277 9.921 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.920 -9.898 9.483 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -24.281 -9.679 9.243 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -22.065 -8.801 9.341 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -24.754 -8.435 8.877 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -22.542 -7.556 8.985 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.884 -7.378 8.755 1.00 0.00 C ATOM 1106 OH TYR A 67 -24.358 -6.135 8.407 1.00 0.00 O ATOM 0 H TYR A 67 -24.526 -12.227 9.046 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.850 -12.048 7.986 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.965 -11.611 10.785 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.358 -11.164 10.249 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -24.975 -10.500 9.346 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -21.007 -8.931 9.514 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -25.807 -8.292 8.687 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -21.861 -6.723 8.887 1.00 0.00 H new ATOM 0 HH TYR A 67 -23.612 -5.500 8.365 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.635 -14.038 9.014 1.00 0.00 N ATOM 1117 CA LYS A 68 -20.015 -15.300 9.431 1.00 0.00 C ATOM 1118 C LYS A 68 -19.459 -15.160 10.851 1.00 0.00 C ATOM 1119 O LYS A 68 -18.286 -14.834 11.052 1.00 0.00 O ATOM 1120 CB LYS A 68 -18.919 -15.751 8.420 1.00 0.00 C ATOM 1121 CG LYS A 68 -19.402 -15.818 6.951 1.00 0.00 C ATOM 1122 CD LYS A 68 -20.682 -16.674 6.772 1.00 0.00 C ATOM 1123 CE LYS A 68 -21.162 -16.717 5.313 1.00 0.00 C ATOM 1124 NZ LYS A 68 -21.519 -15.367 4.799 1.00 0.00 N ATOM 0 H LYS A 68 -20.044 -13.456 8.420 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.775 -16.082 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.077 -15.062 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.550 -16.733 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.594 -14.807 6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.606 -16.231 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.487 -17.689 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -21.476 -16.270 7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.380 -17.147 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -22.028 -17.374 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.994 -15.460 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.158 -14.897 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.655 -14.799 4.687 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.337 -15.401 11.840 1.00 0.00 N ATOM 1139 CA VAL A 69 -19.956 -15.358 13.251 1.00 0.00 C ATOM 1140 C VAL A 69 -19.129 -16.606 13.564 1.00 0.00 C ATOM 1141 O VAL A 69 -19.579 -17.723 13.305 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.223 -15.280 14.194 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -20.836 -15.343 15.702 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.049 -14.008 13.880 1.00 0.00 C ATOM 0 H VAL A 69 -21.319 -15.628 11.681 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.368 -14.459 13.436 1.00 0.00 H new ATOM 0 HB VAL A 69 -21.841 -16.155 13.992 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -21.738 -15.286 16.312 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.319 -16.280 15.906 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.181 -14.507 15.945 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -22.918 -13.967 14.537 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.431 -13.124 14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.380 -14.036 12.842 1.00 0.00 H new ATOM 1154 N VAL A 70 -17.918 -16.396 14.109 1.00 0.00 N ATOM 1155 CA VAL A 70 -16.954 -17.474 14.380 1.00 0.00 C ATOM 1156 C VAL A 70 -16.419 -17.357 15.813 1.00 0.00 C ATOM 1157 O VAL A 70 -16.712 -16.389 16.539 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.739 -17.482 13.350 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.217 -17.618 11.884 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -14.824 -16.245 13.523 1.00 0.00 C ATOM 0 H VAL A 70 -17.580 -15.471 14.374 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.489 -18.416 14.259 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.146 -18.366 13.583 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.354 -17.619 11.218 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.767 -18.552 11.766 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.867 -16.780 11.634 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.009 -16.291 12.801 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.404 -15.337 13.357 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.414 -16.234 14.533 1.00 0.00 H new ATOM 1170 N SER A 71 -15.640 -18.371 16.193 1.00 0.00 N ATOM 1171 CA SER A 71 -14.920 -18.414 17.459 1.00 0.00 C ATOM 1172 C SER A 71 -13.629 -17.562 17.365 1.00 0.00 C ATOM 1173 O SER A 71 -13.050 -17.454 16.275 1.00 0.00 O ATOM 1174 CB SER A 71 -14.567 -19.886 17.776 1.00 0.00 C ATOM 1175 OG SER A 71 -15.734 -20.696 17.831 1.00 0.00 O ATOM 0 H SER A 71 -15.492 -19.199 15.616 1.00 0.00 H new ATOM 0 HA SER A 71 -15.543 -18.005 18.255 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.889 -20.272 17.015 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.040 -19.939 18.728 1.00 0.00 H new ATOM 0 HG SER A 71 -16.106 -20.796 16.930 1.00 0.00 H new ATOM 1181 N PRO A 72 -13.150 -16.942 18.497 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.797 -16.310 18.552 1.00 0.00 C ATOM 1183 C PRO A 72 -10.688 -17.333 18.246 1.00 0.00 C ATOM 1184 O PRO A 72 -9.643 -16.995 17.681 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.699 -15.784 20.017 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.762 -16.529 20.774 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.878 -16.771 19.784 1.00 0.00 C ATOM 0 HA PRO A 72 -11.668 -15.521 17.811 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.711 -15.972 20.438 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.865 -14.708 20.061 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.376 -17.470 21.166 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.114 -15.949 21.627 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.460 -17.657 20.040 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.573 -15.933 19.746 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.996 -18.594 18.577 1.00 0.00 N ATOM 1196 CA ASP A 73 -10.129 -19.761 18.373 1.00 0.00 C ATOM 1197 C ASP A 73 -9.797 -19.971 16.881 1.00 0.00 C ATOM 1198 O ASP A 73 -8.785 -20.590 16.574 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.833 -21.027 18.934 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.373 -20.826 20.365 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -12.502 -20.292 20.514 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.676 -21.170 21.340 1.00 0.00 O ATOM 0 H ASP A 73 -11.887 -18.838 19.009 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.192 -19.584 18.901 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.657 -21.301 18.275 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.130 -21.860 18.929 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.663 -19.457 15.964 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.402 -19.484 14.503 1.00 0.00 C ATOM 1209 C TRP A 74 -9.157 -18.649 14.165 1.00 0.00 C ATOM 1210 O TRP A 74 -8.250 -19.110 13.463 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.621 -18.959 13.690 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.396 -18.969 12.185 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.064 -20.053 11.415 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.467 -17.853 11.279 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -10.920 -19.673 10.109 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.169 -18.338 9.997 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.762 -16.493 11.432 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.148 -17.516 8.875 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -11.745 -15.676 10.317 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.444 -16.192 9.050 1.00 0.00 C ATOM 0 H TRP A 74 -11.549 -19.019 16.215 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.230 -20.523 14.223 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.493 -19.570 13.923 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.849 -17.942 14.009 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.935 -21.059 11.785 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.666 -20.292 9.339 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -11.999 -16.089 12.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.906 -17.910 7.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -11.967 -14.625 10.424 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.446 -15.532 8.195 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.135 -17.429 14.712 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.104 -16.416 14.420 1.00 0.00 C ATOM 1233 C ILE A 75 -6.775 -16.891 15.026 1.00 0.00 C ATOM 1234 O ILE A 75 -5.738 -16.886 14.362 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.489 -14.978 14.980 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.807 -14.418 14.334 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.334 -13.966 14.783 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -11.073 -15.140 14.729 1.00 0.00 C ATOM 0 H ILE A 75 -9.838 -17.109 15.378 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.017 -16.311 13.339 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.668 -15.105 16.048 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.907 -13.367 14.605 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.707 -14.460 13.249 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.631 -12.994 15.177 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.448 -14.317 15.313 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.108 -13.874 13.721 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.926 -14.678 14.231 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.003 -16.187 14.433 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.206 -15.077 15.809 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.875 -17.366 16.276 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.749 -17.921 17.038 1.00 0.00 C ATOM 1252 C VAL A 76 -5.107 -19.108 16.299 1.00 0.00 C ATOM 1253 O VAL A 76 -3.895 -19.128 16.106 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.221 -18.374 18.470 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -5.074 -19.033 19.281 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.823 -17.181 19.236 1.00 0.00 C ATOM 0 H VAL A 76 -7.754 -17.375 16.793 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.000 -17.136 17.141 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.992 -19.133 18.339 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.446 -19.329 20.262 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.711 -19.913 18.749 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.258 -18.320 19.402 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.145 -17.509 20.224 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.071 -16.399 19.340 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.679 -16.790 18.686 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.952 -20.063 15.862 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.497 -21.346 15.277 1.00 0.00 C ATOM 1268 C ASP A 77 -4.901 -21.132 13.877 1.00 0.00 C ATOM 1269 O ASP A 77 -3.928 -21.788 13.516 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.655 -22.391 15.246 1.00 0.00 C ATOM 1271 CG ASP A 77 -6.178 -23.858 15.186 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -5.301 -24.234 15.992 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.725 -24.654 14.390 1.00 0.00 O ATOM 0 H ASP A 77 -6.967 -19.970 15.903 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.709 -21.745 15.916 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.274 -22.257 16.133 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.288 -22.190 14.382 1.00 0.00 H new ATOM 1278 N SER A 78 -5.486 -20.201 13.100 1.00 0.00 N ATOM 1279 CA SER A 78 -4.985 -19.859 11.753 1.00 0.00 C ATOM 1280 C SER A 78 -3.584 -19.203 11.837 1.00 0.00 C ATOM 1281 O SER A 78 -2.692 -19.511 11.040 1.00 0.00 O ATOM 1282 CB SER A 78 -5.981 -18.935 11.014 1.00 0.00 C ATOM 1283 OG SER A 78 -7.212 -19.598 10.741 1.00 0.00 O ATOM 0 H SER A 78 -6.310 -19.670 13.383 1.00 0.00 H new ATOM 0 HA SER A 78 -4.893 -20.783 11.182 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.172 -18.048 11.618 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.536 -18.594 10.079 1.00 0.00 H new ATOM 0 HG SER A 78 -7.792 -19.550 11.530 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.411 -18.314 12.831 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.119 -17.654 13.129 1.00 0.00 C ATOM 1291 C VAL A 79 -1.115 -18.660 13.739 1.00 0.00 C ATOM 1292 O VAL A 79 0.093 -18.582 13.489 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.359 -16.423 14.083 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -1.044 -15.824 14.645 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.183 -15.337 13.346 1.00 0.00 C ATOM 0 H VAL A 79 -4.165 -18.029 13.456 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.682 -17.288 12.200 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.920 -16.789 14.943 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.277 -14.980 15.294 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.512 -16.585 15.216 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.417 -15.485 13.820 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.345 -14.489 14.012 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.639 -15.005 12.462 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.145 -15.752 13.046 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.650 -19.620 14.505 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.873 -20.680 15.181 1.00 0.00 C ATOM 1307 C LYS A 80 -0.215 -21.606 14.149 1.00 0.00 C ATOM 1308 O LYS A 80 0.956 -21.980 14.279 1.00 0.00 O ATOM 1309 CB LYS A 80 -1.829 -21.500 16.080 1.00 0.00 C ATOM 1310 CG LYS A 80 -1.176 -22.601 16.941 1.00 0.00 C ATOM 1311 CD LYS A 80 -2.232 -23.528 17.595 1.00 0.00 C ATOM 1312 CE LYS A 80 -3.269 -22.766 18.452 1.00 0.00 C ATOM 1313 NZ LYS A 80 -4.366 -23.653 18.911 1.00 0.00 N ATOM 0 H LYS A 80 -2.653 -19.687 14.679 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.088 -20.223 15.784 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.351 -20.811 16.743 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.583 -21.964 15.445 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.505 -23.196 16.321 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.567 -22.140 17.718 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.753 -24.081 16.814 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.723 -24.262 18.220 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.772 -22.326 19.317 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.686 -21.944 17.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.013 -23.117 19.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.889 -24.013 18.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.967 -24.452 19.444 1.00 0.00 H new ATOM 1327 N GLU A 81 -0.998 -21.952 13.119 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.590 -22.885 12.057 1.00 0.00 C ATOM 1329 C GLU A 81 0.022 -22.154 10.850 1.00 0.00 C ATOM 1330 O GLU A 81 0.498 -22.816 9.921 1.00 0.00 O ATOM 1331 CB GLU A 81 -1.812 -23.729 11.611 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.463 -24.555 12.743 1.00 0.00 C ATOM 1333 CD GLU A 81 -1.502 -25.560 13.386 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -1.072 -26.511 12.685 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -1.164 -25.414 14.581 1.00 0.00 O ATOM 0 H GLU A 81 -1.943 -21.589 12.997 1.00 0.00 H new ATOM 0 HA GLU A 81 0.182 -23.539 12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.563 -23.063 11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.500 -24.407 10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.836 -23.877 13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.325 -25.090 12.344 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.020 -20.797 10.874 1.00 0.00 N ATOM 1343 CA ALA A 82 0.537 -19.920 9.811 1.00 0.00 C ATOM 1344 C ALA A 82 -0.116 -20.201 8.430 1.00 0.00 C ATOM 1345 O ALA A 82 0.539 -20.112 7.380 1.00 0.00 O ATOM 1346 CB ALA A 82 2.080 -20.038 9.756 1.00 0.00 C ATOM 0 H ALA A 82 -0.446 -20.275 11.640 1.00 0.00 H new ATOM 0 HA ALA A 82 0.292 -18.889 10.066 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.467 -19.388 8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.502 -19.739 10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.359 -21.070 9.542 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.427 -20.502 8.459 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.235 -20.799 7.255 1.00 0.00 C ATOM 1354 C ARG A 83 -3.718 -20.521 7.543 1.00 0.00 C ATOM 1355 O ARG A 83 -4.148 -20.621 8.694 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.034 -22.283 6.816 1.00 0.00 C ATOM 1357 CG ARG A 83 -2.456 -23.331 7.868 1.00 0.00 C ATOM 1358 CD ARG A 83 -2.131 -24.775 7.445 1.00 0.00 C ATOM 1359 NE ARG A 83 -0.674 -24.980 7.238 1.00 0.00 N ATOM 1360 CZ ARG A 83 0.127 -25.753 7.993 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -0.358 -26.414 9.036 1.00 0.00 N ATOM 1362 NH2 ARG A 83 1.421 -25.843 7.705 1.00 0.00 N ATOM 0 H ARG A 83 -1.963 -20.547 9.325 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.906 -20.154 6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.602 -22.457 5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.983 -22.436 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.954 -23.113 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.527 -23.244 8.049 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.489 -25.466 8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.665 -25.012 6.525 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.243 -24.491 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.347 -26.339 9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.259 -26.997 9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.804 -25.327 6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.031 -26.428 8.276 1.00 0.00 H new ATOM 1376 N LEU A 84 -4.496 -20.171 6.499 1.00 0.00 N ATOM 1377 CA LEU A 84 -5.955 -19.983 6.627 1.00 0.00 C ATOM 1378 C LEU A 84 -6.605 -21.366 6.811 1.00 0.00 C ATOM 1379 O LEU A 84 -6.437 -22.255 5.972 1.00 0.00 O ATOM 1380 CB LEU A 84 -6.530 -19.217 5.386 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.002 -18.653 5.478 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -9.087 -19.745 5.315 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -8.211 -17.848 6.781 1.00 0.00 C ATOM 0 H LEU A 84 -4.138 -20.013 5.557 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.183 -19.367 7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.865 -18.380 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.483 -19.888 4.528 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.122 -17.977 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.075 -19.290 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.979 -20.223 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.972 -20.492 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.234 -17.472 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.032 -18.494 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.515 -17.009 6.806 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.319 -21.536 7.925 1.00 0.00 N ATOM 1396 CA LEU A 85 -7.986 -22.795 8.292 1.00 0.00 C ATOM 1397 C LEU A 85 -9.507 -22.674 8.088 1.00 0.00 C ATOM 1398 O LEU A 85 -10.017 -21.549 7.990 1.00 0.00 O ATOM 1399 CB LEU A 85 -7.607 -23.132 9.755 1.00 0.00 C ATOM 1400 CG LEU A 85 -6.106 -23.514 9.957 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -5.769 -23.647 11.442 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -5.744 -24.807 9.181 1.00 0.00 C ATOM 0 H LEU A 85 -7.455 -20.794 8.611 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.656 -23.612 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.840 -22.274 10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.230 -23.958 10.099 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.500 -22.706 9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.718 -23.914 11.554 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.958 -22.698 11.944 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.390 -24.424 11.888 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.693 -25.046 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.362 -25.631 9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.922 -24.654 8.117 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.255 -23.834 7.987 1.00 0.00 N ATOM 1415 CA PRO A 86 -11.720 -23.833 7.738 1.00 0.00 C ATOM 1416 C PRO A 86 -12.500 -22.975 8.761 1.00 0.00 C ATOM 1417 O PRO A 86 -12.590 -23.327 9.945 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.110 -25.346 7.810 1.00 0.00 C ATOM 1419 CG PRO A 86 -10.973 -25.999 8.530 1.00 0.00 C ATOM 1420 CD PRO A 86 -9.748 -25.238 8.088 1.00 0.00 C ATOM 0 HA PRO A 86 -11.974 -23.381 6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.050 -25.487 8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.242 -25.768 6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.105 -25.943 9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.896 -27.055 8.273 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.935 -25.325 8.809 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.368 -25.601 7.133 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.015 -21.817 8.287 1.00 0.00 N ATOM 1429 CA TRP A 87 -13.892 -20.936 9.082 1.00 0.00 C ATOM 1430 C TRP A 87 -15.178 -21.685 9.455 1.00 0.00 C ATOM 1431 O TRP A 87 -15.718 -21.491 10.538 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.216 -19.616 8.317 1.00 0.00 C ATOM 1433 CG TRP A 87 -14.976 -19.801 7.018 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -14.451 -19.996 5.773 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -16.403 -19.819 6.851 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -15.455 -20.142 4.855 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -16.662 -20.039 5.490 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -17.482 -19.679 7.728 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -17.955 -20.115 4.978 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -18.765 -19.761 7.224 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -18.992 -19.979 5.859 1.00 0.00 C ATOM 0 H TRP A 87 -12.833 -21.471 7.345 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.367 -20.658 9.996 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -14.797 -18.967 8.972 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.281 -19.098 8.103 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -13.396 -20.030 5.546 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -15.324 -20.302 3.856 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -17.315 -19.510 8.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -18.132 -20.275 3.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -19.607 -19.655 7.893 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -20.007 -20.041 5.495 1.00 0.00 H new ATOM 1452 N GLN A 88 -15.622 -22.564 8.524 1.00 0.00 N ATOM 1453 CA GLN A 88 -16.833 -23.400 8.662 1.00 0.00 C ATOM 1454 C GLN A 88 -16.773 -24.305 9.906 1.00 0.00 C ATOM 1455 O GLN A 88 -17.814 -24.677 10.458 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.030 -24.257 7.383 1.00 0.00 C ATOM 1457 CG GLN A 88 -15.832 -25.172 7.040 1.00 0.00 C ATOM 1458 CD GLN A 88 -16.080 -26.078 5.835 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -15.813 -25.699 4.693 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -16.572 -27.285 6.073 1.00 0.00 N ATOM 0 H GLN A 88 -15.136 -22.712 7.639 1.00 0.00 H new ATOM 0 HA GLN A 88 -17.684 -22.731 8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -17.920 -24.874 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -17.218 -23.592 6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -14.957 -24.553 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.598 -25.790 7.907 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.783 -27.570 7.029 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.740 -27.929 5.300 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.545 -24.646 10.334 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.303 -25.494 11.513 1.00 0.00 C ATOM 1471 C ASN A 89 -15.563 -24.695 12.814 1.00 0.00 C ATOM 1472 O ASN A 89 -16.113 -25.228 13.785 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.844 -26.039 11.475 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.525 -27.048 12.584 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -14.394 -27.801 13.025 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -12.280 -27.077 13.041 1.00 0.00 N ATOM 0 H ASN A 89 -14.690 -24.340 9.870 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.991 -26.339 11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.668 -26.510 10.508 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.152 -25.200 11.551 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.022 -27.735 13.776 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.581 -26.441 12.657 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.183 -23.407 12.805 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.264 -22.524 13.993 1.00 0.00 C ATOM 1485 C TYR A 90 -16.454 -21.548 13.917 1.00 0.00 C ATOM 1486 O TYR A 90 -16.660 -20.760 14.849 1.00 0.00 O ATOM 1487 CB TYR A 90 -13.931 -21.751 14.151 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.729 -22.652 14.481 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.458 -23.039 15.802 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -11.871 -23.124 13.483 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.385 -23.852 16.108 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -10.794 -23.937 13.790 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.559 -24.299 15.104 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.497 -25.121 15.412 1.00 0.00 O ATOM 0 H TYR A 90 -14.810 -22.943 11.977 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.431 -23.152 14.868 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -13.724 -21.208 13.229 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.044 -21.007 14.940 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.103 -22.693 16.597 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.052 -22.849 12.454 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.195 -24.136 17.133 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.139 -24.288 13.006 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.687 -24.787 14.974 1.00 0.00 H new ATOM 1504 N SER A 91 -17.236 -21.600 12.822 1.00 0.00 N ATOM 1505 CA SER A 91 -18.372 -20.686 12.615 1.00 0.00 C ATOM 1506 C SER A 91 -19.568 -21.083 13.497 1.00 0.00 C ATOM 1507 O SER A 91 -20.194 -22.130 13.290 1.00 0.00 O ATOM 1508 CB SER A 91 -18.767 -20.620 11.120 1.00 0.00 C ATOM 1509 OG SER A 91 -18.964 -21.910 10.568 1.00 0.00 O ATOM 0 H SER A 91 -17.099 -22.269 12.065 1.00 0.00 H new ATOM 0 HA SER A 91 -18.059 -19.686 12.916 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.680 -20.035 11.011 1.00 0.00 H new ATOM 0 HB3 SER A 91 -17.988 -20.101 10.561 1.00 0.00 H new ATOM 0 HG SER A 91 -19.853 -22.240 10.817 1.00 0.00 H new ATOM 1515 N LEU A 92 -19.850 -20.234 14.493 1.00 0.00 N ATOM 1516 CA LEU A 92 -20.997 -20.375 15.404 1.00 0.00 C ATOM 1517 C LEU A 92 -22.323 -20.022 14.687 1.00 0.00 C ATOM 1518 O LEU A 92 -23.406 -20.380 15.160 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.774 -19.460 16.642 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.437 -19.699 17.423 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.293 -18.709 18.596 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.312 -21.169 17.901 1.00 0.00 C ATOM 0 H LEU A 92 -19.278 -19.414 14.694 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.072 -21.412 15.730 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.803 -18.421 16.314 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.607 -19.600 17.331 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.615 -19.514 16.732 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.356 -18.899 19.119 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.294 -17.688 18.213 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.127 -18.839 19.286 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.373 -21.298 18.439 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.145 -21.409 18.562 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.331 -21.835 17.038 1.00 0.00 H new ATOM 1534 N THR A 93 -22.216 -19.319 13.536 1.00 0.00 N ATOM 1535 CA THR A 93 -23.377 -18.906 12.718 1.00 0.00 C ATOM 1536 C THR A 93 -23.980 -20.095 11.933 1.00 0.00 C ATOM 1537 O THR A 93 -25.174 -20.084 11.607 1.00 0.00 O ATOM 1538 CB THR A 93 -22.994 -17.744 11.734 1.00 0.00 C ATOM 1539 OG1 THR A 93 -24.168 -17.182 11.112 1.00 0.00 O ATOM 1540 CG2 THR A 93 -21.999 -18.198 10.645 1.00 0.00 C ATOM 0 H THR A 93 -21.320 -19.022 13.149 1.00 0.00 H new ATOM 0 HA THR A 93 -24.137 -18.540 13.409 1.00 0.00 H new ATOM 0 HB THR A 93 -22.505 -16.980 12.338 1.00 0.00 H new ATOM 0 HG1 THR A 93 -23.903 -16.460 10.505 1.00 0.00 H new ATOM 0 HG21 THR A 93 -21.767 -17.357 9.991 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.083 -18.556 11.115 1.00 0.00 H new ATOM 0 HG23 THR A 93 -22.443 -19.002 10.058 1.00 0.00 H new ATOM 1548 N SER A 94 -23.144 -21.113 11.636 1.00 0.00 N ATOM 1549 CA SER A 94 -23.572 -22.313 10.895 1.00 0.00 C ATOM 1550 C SER A 94 -24.187 -23.340 11.876 1.00 0.00 C ATOM 1551 O SER A 94 -23.569 -23.594 12.936 1.00 0.00 O ATOM 1552 CB SER A 94 -22.378 -22.928 10.123 1.00 0.00 C ATOM 1553 OG SER A 94 -21.347 -23.357 11.002 1.00 0.00 O ATOM 1554 OXT SER A 94 -25.268 -23.892 11.593 1.00 0.00 O ATOM 0 H SER A 94 -22.160 -21.124 11.903 1.00 0.00 H new ATOM 0 HA SER A 94 -24.331 -22.031 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 94 -22.725 -23.774 9.530 1.00 0.00 H new ATOM 0 HB3 SER A 94 -21.978 -22.192 9.425 1.00 0.00 H new ATOM 0 HG SER A 94 -21.716 -23.485 11.901 1.00 0.00 H new