USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 61 GLN : amide:sc= 0.474 K(o=0.45,f=-4.9!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -0.0227 K(o=0.45,f=-4.9) USER MOD Set 2.1: A 9 SER OG : rot 62:sc= 1.14 USER MOD Set 2.2: A 35 TYR OH : rot 179:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0638) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0206) USER MOD Single : A 2 GLN : amide:sc= -0.305 K(o=-0.3,f=-2.5) USER MOD Single : A 3 THR OG1 : rot 128:sc= 1.07 USER MOD Single : A 11 CYS SG : rot 64:sc= -0.244 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -140:sc= 0.794 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0139) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -14:sc= 1.24 USER MOD Single : A 26 ASN : amide:sc= 1.38 K(o=1.4,f=-0.053) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0.00095) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.463! (180deg=-1.08!) USER MOD Single : A 49 GLN : amide:sc= -0.981 K(o=-0.98,f=-0.29) USER MOD Single : A 50 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.027) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00302) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 66 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0.833 (180deg=0.69) USER MOD Single : A 82 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.406 2.627 9.985 1.00 1.79 N ATOM 2 CA MET A 1 9.247 1.883 9.478 1.00 1.23 C ATOM 3 C MET A 1 8.392 2.842 8.648 1.00 1.05 C ATOM 4 O MET A 1 7.916 3.840 9.189 1.00 1.54 O ATOM 5 CB MET A 1 8.433 1.267 10.625 1.00 1.80 C ATOM 6 CG MET A 1 9.164 0.123 11.337 1.00 2.23 C ATOM 7 SD MET A 1 8.221 -0.687 12.652 1.00 2.96 S ATOM 8 CE MET A 1 6.956 -1.558 11.708 1.00 2.32 C ATOM 0 H1 MET A 1 11.038 1.979 10.497 1.00 1.79 H new ATOM 0 H2 MET A 1 10.920 3.054 9.188 1.00 1.79 H new ATOM 0 H3 MET A 1 10.083 3.376 10.630 1.00 1.79 H new ATOM 0 HA MET A 1 9.586 1.054 8.856 1.00 1.23 H new ATOM 0 HB2 MET A 1 8.194 2.044 11.351 1.00 1.80 H new ATOM 0 HB3 MET A 1 7.486 0.896 10.232 1.00 1.80 H new ATOM 0 HG2 MET A 1 9.443 -0.626 10.596 1.00 2.23 H new ATOM 0 HG3 MET A 1 10.090 0.512 11.761 1.00 2.23 H new ATOM 0 HE1 MET A 1 6.392 -2.212 12.373 1.00 2.32 H new ATOM 0 HE2 MET A 1 6.281 -0.835 11.251 1.00 2.32 H new ATOM 0 HE3 MET A 1 7.430 -2.155 10.929 1.00 2.32 H new ATOM 20 N GLN A 2 8.223 2.601 7.345 1.00 0.64 N ATOM 21 CA GLN A 2 7.541 3.517 6.448 1.00 0.55 C ATOM 22 C GLN A 2 6.602 2.740 5.539 1.00 0.53 C ATOM 23 O GLN A 2 7.008 1.730 4.968 1.00 0.76 O ATOM 24 CB GLN A 2 8.569 4.296 5.625 1.00 0.70 C ATOM 25 CG GLN A 2 8.413 5.804 5.848 1.00 0.89 C ATOM 26 CD GLN A 2 7.115 6.407 5.309 1.00 1.59 C ATOM 27 OE1 GLN A 2 6.356 5.764 4.592 1.00 3.13 O ATOM 28 NE2 GLN A 2 6.844 7.654 5.666 1.00 1.86 N ATOM 0 H GLN A 2 8.561 1.755 6.886 1.00 0.64 H new ATOM 0 HA GLN A 2 6.953 4.227 7.029 1.00 0.55 H new ATOM 0 HB2 GLN A 2 9.576 3.985 5.903 1.00 0.70 H new ATOM 0 HB3 GLN A 2 8.445 4.065 4.567 1.00 0.70 H new ATOM 0 HG2 GLN A 2 8.473 6.006 6.917 1.00 0.89 H new ATOM 0 HG3 GLN A 2 9.255 6.314 5.380 1.00 0.89 H new ATOM 0 HE21 GLN A 2 7.493 8.166 6.263 1.00 1.86 H new ATOM 0 HE22 GLN A 2 5.986 8.102 5.343 1.00 1.86 H new ATOM 37 N THR A 3 5.364 3.207 5.423 1.00 0.65 N ATOM 38 CA THR A 3 4.323 2.645 4.586 1.00 0.71 C ATOM 39 C THR A 3 4.024 3.618 3.434 1.00 0.75 C ATOM 40 O THR A 3 3.233 4.552 3.569 1.00 1.23 O ATOM 41 CB THR A 3 3.124 2.356 5.496 1.00 0.78 C ATOM 42 OG1 THR A 3 3.547 1.509 6.554 1.00 0.92 O ATOM 43 CG2 THR A 3 2.030 1.615 4.745 1.00 0.96 C ATOM 0 H THR A 3 5.049 4.029 5.938 1.00 0.65 H new ATOM 0 HA THR A 3 4.614 1.708 4.111 1.00 0.71 H new ATOM 0 HB THR A 3 2.741 3.309 5.861 1.00 0.78 H new ATOM 0 HG1 THR A 3 3.287 1.903 7.413 1.00 0.92 H new ATOM 0 HG21 THR A 3 1.193 1.424 5.416 1.00 0.96 H new ATOM 0 HG22 THR A 3 1.691 2.221 3.905 1.00 0.96 H new ATOM 0 HG23 THR A 3 2.421 0.668 4.374 1.00 0.96 H new ATOM 51 N VAL A 4 4.663 3.397 2.289 1.00 0.60 N ATOM 52 CA VAL A 4 4.475 4.207 1.095 1.00 0.56 C ATOM 53 C VAL A 4 3.240 3.661 0.367 1.00 0.56 C ATOM 54 O VAL A 4 3.030 2.449 0.372 1.00 0.66 O ATOM 55 CB VAL A 4 5.748 4.179 0.231 1.00 0.65 C ATOM 56 CG1 VAL A 4 5.614 5.136 -0.961 1.00 0.75 C ATOM 57 CG2 VAL A 4 6.968 4.604 1.065 1.00 0.76 C ATOM 0 H VAL A 4 5.335 2.639 2.165 1.00 0.60 H new ATOM 0 HA VAL A 4 4.304 5.256 1.338 1.00 0.56 H new ATOM 0 HB VAL A 4 5.883 3.160 -0.132 1.00 0.65 H new ATOM 0 HG11 VAL A 4 6.524 5.102 -1.559 1.00 0.75 H new ATOM 0 HG12 VAL A 4 4.765 4.836 -1.575 1.00 0.75 H new ATOM 0 HG13 VAL A 4 5.458 6.151 -0.597 1.00 0.75 H new ATOM 0 HG21 VAL A 4 7.862 4.580 0.441 1.00 0.76 H new ATOM 0 HG22 VAL A 4 6.816 5.615 1.442 1.00 0.76 H new ATOM 0 HG23 VAL A 4 7.092 3.919 1.904 1.00 0.76 H new ATOM 67 N ILE A 5 2.401 4.514 -0.224 1.00 0.56 N ATOM 68 CA ILE A 5 1.103 4.120 -0.762 1.00 0.59 C ATOM 69 C ILE A 5 0.978 4.639 -2.180 1.00 0.58 C ATOM 70 O ILE A 5 1.150 5.830 -2.411 1.00 0.75 O ATOM 71 CB ILE A 5 -0.034 4.663 0.117 1.00 0.73 C ATOM 72 CG1 ILE A 5 0.200 4.228 1.572 1.00 0.93 C ATOM 73 CG2 ILE A 5 -1.382 4.220 -0.475 1.00 0.81 C ATOM 74 CD1 ILE A 5 -1.022 4.369 2.479 1.00 1.38 C ATOM 0 H ILE A 5 2.608 5.506 -0.342 1.00 0.56 H new ATOM 0 HA ILE A 5 1.028 3.033 -0.768 1.00 0.59 H new ATOM 0 HB ILE A 5 -0.052 5.753 0.129 1.00 0.73 H new ATOM 0 HG12 ILE A 5 0.524 3.187 1.579 1.00 0.93 H new ATOM 0 HG13 ILE A 5 1.016 4.819 1.988 1.00 0.93 H new ATOM 0 HG21 ILE A 5 -2.194 4.602 0.144 1.00 0.81 H new ATOM 0 HG22 ILE A 5 -1.481 4.612 -1.487 1.00 0.81 H new ATOM 0 HG23 ILE A 5 -1.427 3.131 -0.502 1.00 0.81 H new ATOM 0 HD11 ILE A 5 -0.767 4.040 3.486 1.00 1.38 H new ATOM 0 HD12 ILE A 5 -1.336 5.412 2.507 1.00 1.38 H new ATOM 0 HD13 ILE A 5 -1.835 3.755 2.092 1.00 1.38 H new ATOM 86 N PHE A 6 0.681 3.770 -3.138 1.00 0.68 N ATOM 87 CA PHE A 6 0.641 4.131 -4.528 1.00 0.75 C ATOM 88 C PHE A 6 -0.788 4.510 -4.936 1.00 1.24 C ATOM 89 O PHE A 6 -1.752 3.879 -4.509 1.00 1.96 O ATOM 90 CB PHE A 6 1.199 2.941 -5.303 1.00 0.89 C ATOM 91 CG PHE A 6 2.714 2.744 -5.295 1.00 0.89 C ATOM 92 CD1 PHE A 6 3.585 3.588 -4.572 1.00 2.00 C ATOM 93 CD2 PHE A 6 3.261 1.720 -6.088 1.00 2.35 C ATOM 94 CE1 PHE A 6 4.979 3.440 -4.688 1.00 2.06 C ATOM 95 CE2 PHE A 6 4.654 1.575 -6.210 1.00 2.73 C ATOM 96 CZ PHE A 6 5.515 2.433 -5.506 1.00 1.73 C ATOM 0 H PHE A 6 0.461 2.790 -2.959 1.00 0.68 H new ATOM 0 HA PHE A 6 1.245 5.012 -4.745 1.00 0.75 H new ATOM 0 HB2 PHE A 6 0.740 2.036 -4.906 1.00 0.89 H new ATOM 0 HB3 PHE A 6 0.877 3.034 -6.340 1.00 0.89 H new ATOM 0 HD1 PHE A 6 3.178 4.352 -3.926 1.00 2.00 H new ATOM 0 HD2 PHE A 6 2.605 1.038 -6.608 1.00 2.35 H new ATOM 0 HE1 PHE A 6 5.638 4.102 -4.147 1.00 2.06 H new ATOM 0 HE2 PHE A 6 5.063 0.803 -6.846 1.00 2.73 H new ATOM 0 HZ PHE A 6 6.585 2.318 -5.594 1.00 1.73 H new ATOM 106 N GLY A 7 -0.895 5.534 -5.785 1.00 1.29 N ATOM 107 CA GLY A 7 -2.074 6.261 -6.253 1.00 2.08 C ATOM 108 C GLY A 7 -3.395 5.515 -6.408 1.00 1.32 C ATOM 109 O GLY A 7 -4.469 6.115 -6.362 1.00 2.65 O ATOM 0 H GLY A 7 -0.053 5.919 -6.212 1.00 1.29 H new ATOM 0 HA2 GLY A 7 -2.244 7.089 -5.565 1.00 2.08 H new ATOM 0 HA3 GLY A 7 -1.828 6.697 -7.221 1.00 2.08 H new ATOM 113 N ARG A 8 -3.341 4.232 -6.736 1.00 1.60 N ATOM 114 CA ARG A 8 -4.486 3.531 -7.274 1.00 2.40 C ATOM 115 C ARG A 8 -5.417 3.086 -6.142 1.00 2.43 C ATOM 116 O ARG A 8 -5.446 1.919 -5.786 1.00 3.71 O ATOM 117 CB ARG A 8 -3.973 2.427 -8.219 1.00 4.37 C ATOM 118 CG ARG A 8 -4.735 2.315 -9.547 1.00 5.50 C ATOM 119 CD ARG A 8 -4.776 3.641 -10.327 1.00 5.85 C ATOM 120 NE ARG A 8 -6.074 4.308 -10.133 1.00 6.19 N ATOM 121 CZ ARG A 8 -6.310 5.549 -9.680 1.00 6.44 C ATOM 122 NH1 ARG A 8 -5.322 6.441 -9.569 1.00 6.51 N ATOM 123 NH2 ARG A 8 -7.546 5.865 -9.310 1.00 7.21 N ATOM 0 H ARG A 8 -2.506 3.655 -6.636 1.00 1.60 H new ATOM 0 HA ARG A 8 -5.121 4.172 -7.885 1.00 2.40 H new ATOM 0 HB2 ARG A 8 -2.921 2.612 -8.434 1.00 4.37 H new ATOM 0 HB3 ARG A 8 -4.029 1.469 -7.701 1.00 4.37 H new ATOM 0 HG2 ARG A 8 -4.266 1.550 -10.166 1.00 5.50 H new ATOM 0 HG3 ARG A 8 -5.754 1.984 -9.348 1.00 5.50 H new ATOM 0 HD2 ARG A 8 -3.970 4.294 -9.991 1.00 5.85 H new ATOM 0 HD3 ARG A 8 -4.612 3.452 -11.388 1.00 5.85 H new ATOM 0 HE ARG A 8 -6.898 3.757 -10.373 1.00 6.19 H new ATOM 0 HH11 ARG A 8 -4.370 6.183 -9.830 1.00 6.51 H new ATOM 0 HH12 ARG A 8 -5.519 7.380 -9.223 1.00 6.51 H new ATOM 0 HH21 ARG A 8 -8.291 5.171 -9.374 1.00 7.21 H new ATOM 0 HH22 ARG A 8 -7.750 6.802 -8.962 1.00 7.21 H new ATOM 137 N SER A 9 -6.177 4.011 -5.553 1.00 2.23 N ATOM 138 CA SER A 9 -7.037 3.719 -4.409 1.00 3.16 C ATOM 139 C SER A 9 -8.503 4.054 -4.702 1.00 2.64 C ATOM 140 O SER A 9 -9.073 4.916 -4.041 1.00 3.56 O ATOM 141 CB SER A 9 -6.504 4.484 -3.192 1.00 4.73 C ATOM 142 OG SER A 9 -6.411 5.871 -3.484 1.00 4.68 O ATOM 0 H SER A 9 -6.212 4.984 -5.857 1.00 2.23 H new ATOM 0 HA SER A 9 -7.013 2.650 -4.199 1.00 3.16 H new ATOM 0 HB2 SER A 9 -7.164 4.329 -2.339 1.00 4.73 H new ATOM 0 HB3 SER A 9 -5.524 4.098 -2.912 1.00 4.73 H new ATOM 0 HG SER A 9 -7.302 6.223 -3.689 1.00 4.68 H new ATOM 148 N GLY A 10 -9.127 3.382 -5.669 1.00 2.48 N ATOM 149 CA GLY A 10 -10.570 3.468 -5.879 1.00 2.34 C ATOM 150 C GLY A 10 -11.222 2.170 -5.410 1.00 2.18 C ATOM 151 O GLY A 10 -10.530 1.156 -5.310 1.00 3.50 O ATOM 0 H GLY A 10 -8.648 2.766 -6.326 1.00 2.48 H new ATOM 0 HA2 GLY A 10 -10.980 4.315 -5.329 1.00 2.34 H new ATOM 0 HA3 GLY A 10 -10.787 3.638 -6.934 1.00 2.34 H new ATOM 155 N CYS A 11 -12.535 2.190 -5.178 1.00 1.33 N ATOM 156 CA CYS A 11 -13.386 1.097 -4.697 1.00 1.09 C ATOM 157 C CYS A 11 -13.226 0.940 -3.183 1.00 1.06 C ATOM 158 O CYS A 11 -12.101 0.977 -2.685 1.00 1.16 O ATOM 159 CB CYS A 11 -13.123 -0.267 -5.349 1.00 1.25 C ATOM 160 SG CYS A 11 -12.626 -0.392 -7.073 1.00 1.96 S ATOM 0 H CYS A 11 -13.077 3.040 -5.334 1.00 1.33 H new ATOM 0 HA CYS A 11 -14.399 1.388 -4.976 1.00 1.09 H new ATOM 0 HB2 CYS A 11 -12.351 -0.759 -4.758 1.00 1.25 H new ATOM 0 HB3 CYS A 11 -14.034 -0.855 -5.236 1.00 1.25 H new ATOM 0 HG CYS A 11 -11.469 0.180 -7.234 1.00 1.96 H new ATOM 165 N PRO A 12 -14.312 0.746 -2.421 1.00 1.08 N ATOM 166 CA PRO A 12 -14.272 0.750 -0.965 1.00 1.19 C ATOM 167 C PRO A 12 -13.317 -0.303 -0.395 1.00 1.14 C ATOM 168 O PRO A 12 -12.476 0.011 0.443 1.00 1.21 O ATOM 169 CB PRO A 12 -15.721 0.540 -0.510 1.00 1.33 C ATOM 170 CG PRO A 12 -16.377 -0.141 -1.708 1.00 1.26 C ATOM 171 CD PRO A 12 -15.661 0.497 -2.895 1.00 1.12 C ATOM 0 HA PRO A 12 -13.874 1.692 -0.588 1.00 1.19 H new ATOM 0 HB2 PRO A 12 -15.775 -0.082 0.384 1.00 1.33 H new ATOM 0 HB3 PRO A 12 -16.207 1.486 -0.270 1.00 1.33 H new ATOM 0 HG2 PRO A 12 -16.237 -1.222 -1.685 1.00 1.26 H new ATOM 0 HG3 PRO A 12 -17.451 0.041 -1.738 1.00 1.26 H new ATOM 0 HD2 PRO A 12 -15.661 -0.166 -3.760 1.00 1.12 H new ATOM 0 HD3 PRO A 12 -16.150 1.422 -3.202 1.00 1.12 H new ATOM 179 N TYR A 13 -13.424 -1.562 -0.821 1.00 1.12 N ATOM 180 CA TYR A 13 -12.646 -2.650 -0.233 1.00 1.23 C ATOM 181 C TYR A 13 -11.174 -2.601 -0.642 1.00 1.34 C ATOM 182 O TYR A 13 -10.352 -3.374 -0.141 1.00 1.86 O ATOM 183 CB TYR A 13 -13.283 -3.991 -0.611 1.00 1.51 C ATOM 184 CG TYR A 13 -13.045 -5.107 0.384 1.00 1.55 C ATOM 185 CD1 TYR A 13 -13.387 -4.904 1.735 1.00 2.43 C ATOM 186 CD2 TYR A 13 -12.670 -6.395 -0.046 1.00 2.20 C ATOM 187 CE1 TYR A 13 -13.222 -5.936 2.668 1.00 2.82 C ATOM 188 CE2 TYR A 13 -12.467 -7.419 0.897 1.00 2.36 C ATOM 189 CZ TYR A 13 -12.756 -7.191 2.254 1.00 2.31 C ATOM 190 OH TYR A 13 -12.812 -8.218 3.143 1.00 2.84 O ATOM 0 H TYR A 13 -14.046 -1.853 -1.575 1.00 1.12 H new ATOM 0 HA TYR A 13 -12.663 -2.533 0.851 1.00 1.23 H new ATOM 0 HB2 TYR A 13 -14.357 -3.848 -0.726 1.00 1.51 H new ATOM 0 HB3 TYR A 13 -12.897 -4.300 -1.582 1.00 1.51 H new ATOM 0 HD1 TYR A 13 -13.778 -3.949 2.053 1.00 2.43 H new ATOM 0 HD2 TYR A 13 -12.538 -6.596 -1.099 1.00 2.20 H new ATOM 0 HE1 TYR A 13 -13.454 -5.764 3.709 1.00 2.82 H new ATOM 0 HE2 TYR A 13 -12.089 -8.380 0.579 1.00 2.36 H new ATOM 0 HH TYR A 13 -12.458 -9.031 2.726 1.00 2.84 H new ATOM 200 N SER A 14 -10.845 -1.717 -1.578 1.00 1.10 N ATOM 201 CA SER A 14 -9.489 -1.316 -1.876 1.00 1.09 C ATOM 202 C SER A 14 -9.108 -0.210 -0.884 1.00 1.04 C ATOM 203 O SER A 14 -8.166 -0.376 -0.111 1.00 1.19 O ATOM 204 CB SER A 14 -9.434 -0.867 -3.342 1.00 1.16 C ATOM 205 OG SER A 14 -8.635 0.277 -3.557 1.00 1.28 O ATOM 0 H SER A 14 -11.539 -1.251 -2.162 1.00 1.10 H new ATOM 0 HA SER A 14 -8.769 -2.127 -1.763 1.00 1.09 H new ATOM 0 HB2 SER A 14 -9.050 -1.687 -3.949 1.00 1.16 H new ATOM 0 HB3 SER A 14 -10.447 -0.662 -3.688 1.00 1.16 H new ATOM 0 HG SER A 14 -9.074 0.865 -4.207 1.00 1.28 H new ATOM 211 N VAL A 15 -9.862 0.895 -0.890 1.00 0.90 N ATOM 212 CA VAL A 15 -9.638 2.080 -0.069 1.00 0.84 C ATOM 213 C VAL A 15 -9.416 1.719 1.399 1.00 0.69 C ATOM 214 O VAL A 15 -8.632 2.387 2.071 1.00 0.64 O ATOM 215 CB VAL A 15 -10.797 3.078 -0.255 1.00 0.96 C ATOM 216 CG1 VAL A 15 -10.801 4.186 0.809 1.00 1.21 C ATOM 217 CG2 VAL A 15 -10.696 3.750 -1.630 1.00 0.96 C ATOM 0 H VAL A 15 -10.678 0.987 -1.494 1.00 0.90 H new ATOM 0 HA VAL A 15 -8.720 2.564 -0.404 1.00 0.84 H new ATOM 0 HB VAL A 15 -11.717 2.501 -0.161 1.00 0.96 H new ATOM 0 HG11 VAL A 15 -11.638 4.860 0.629 1.00 1.21 H new ATOM 0 HG12 VAL A 15 -10.900 3.740 1.799 1.00 1.21 H new ATOM 0 HG13 VAL A 15 -9.867 4.745 0.755 1.00 1.21 H new ATOM 0 HG21 VAL A 15 -11.519 4.454 -1.752 1.00 0.96 H new ATOM 0 HG22 VAL A 15 -9.748 4.283 -1.706 1.00 0.96 H new ATOM 0 HG23 VAL A 15 -10.748 2.991 -2.411 1.00 0.96 H new ATOM 227 N ARG A 16 -10.064 0.664 1.901 1.00 0.70 N ATOM 228 CA ARG A 16 -9.849 0.223 3.273 1.00 0.64 C ATOM 229 C ARG A 16 -8.364 0.065 3.630 1.00 0.59 C ATOM 230 O ARG A 16 -8.006 0.206 4.792 1.00 0.59 O ATOM 231 CB ARG A 16 -10.666 -1.032 3.613 1.00 0.84 C ATOM 232 CG ARG A 16 -12.168 -0.729 3.710 1.00 1.37 C ATOM 233 CD ARG A 16 -12.573 0.119 4.928 1.00 2.33 C ATOM 234 NE ARG A 16 -13.023 -0.689 6.069 1.00 2.38 N ATOM 235 CZ ARG A 16 -12.261 -1.196 7.046 1.00 3.00 C ATOM 236 NH1 ARG A 16 -10.981 -0.845 7.176 1.00 3.91 N ATOM 237 NH2 ARG A 16 -12.836 -2.059 7.877 1.00 3.71 N ATOM 0 H ARG A 16 -10.738 0.105 1.377 1.00 0.70 H new ATOM 0 HA ARG A 16 -10.223 1.026 3.908 1.00 0.64 H new ATOM 0 HB2 ARG A 16 -10.498 -1.792 2.850 1.00 0.84 H new ATOM 0 HB3 ARG A 16 -10.318 -1.447 4.559 1.00 0.84 H new ATOM 0 HG2 ARG A 16 -12.480 -0.211 2.803 1.00 1.37 H new ATOM 0 HG3 ARG A 16 -12.714 -1.672 3.742 1.00 1.37 H new ATOM 0 HD2 ARG A 16 -11.725 0.730 5.236 1.00 2.33 H new ATOM 0 HD3 ARG A 16 -13.371 0.803 4.638 1.00 2.33 H new ATOM 0 HE ARG A 16 -14.023 -0.885 6.123 1.00 2.38 H new ATOM 0 HH11 ARG A 16 -10.566 -0.179 6.524 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -10.417 -1.243 7.927 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -13.817 -2.308 7.755 1.00 3.71 H new ATOM 0 HH22 ARG A 16 -12.296 -2.472 8.637 1.00 3.71 H new ATOM 251 N ALA A 17 -7.488 -0.196 2.658 1.00 0.59 N ATOM 252 CA ALA A 17 -6.050 -0.164 2.881 1.00 0.54 C ATOM 253 C ALA A 17 -5.584 1.234 3.295 1.00 0.57 C ATOM 254 O ALA A 17 -4.926 1.396 4.314 1.00 0.68 O ATOM 255 CB ALA A 17 -5.317 -0.620 1.618 1.00 0.55 C ATOM 0 H ALA A 17 -7.757 -0.433 1.703 1.00 0.59 H new ATOM 0 HA ALA A 17 -5.815 -0.847 3.697 1.00 0.54 H new ATOM 0 HB1 ALA A 17 -4.241 -0.594 1.792 1.00 0.55 H new ATOM 0 HB2 ALA A 17 -5.619 -1.637 1.369 1.00 0.55 H new ATOM 0 HB3 ALA A 17 -5.567 0.045 0.792 1.00 0.55 H new ATOM 261 N LYS A 18 -5.878 2.246 2.479 1.00 0.52 N ATOM 262 CA LYS A 18 -5.498 3.630 2.734 1.00 0.59 C ATOM 263 C LYS A 18 -6.009 4.056 4.107 1.00 0.61 C ATOM 264 O LYS A 18 -5.254 4.615 4.897 1.00 0.70 O ATOM 265 CB LYS A 18 -6.052 4.510 1.605 1.00 0.71 C ATOM 266 CG LYS A 18 -6.029 6.021 1.882 1.00 0.96 C ATOM 267 CD LYS A 18 -5.445 6.735 0.659 1.00 1.61 C ATOM 268 CE LYS A 18 -5.671 8.250 0.661 1.00 2.12 C ATOM 269 NZ LYS A 18 -7.084 8.612 0.438 1.00 2.78 N ATOM 0 H LYS A 18 -6.395 2.122 1.609 1.00 0.52 H new ATOM 0 HA LYS A 18 -4.414 3.740 2.746 1.00 0.59 H new ATOM 0 HB2 LYS A 18 -5.479 4.314 0.699 1.00 0.71 H new ATOM 0 HB3 LYS A 18 -7.080 4.209 1.403 1.00 0.71 H new ATOM 0 HG2 LYS A 18 -7.037 6.383 2.086 1.00 0.96 H new ATOM 0 HG3 LYS A 18 -5.429 6.234 2.766 1.00 0.96 H new ATOM 0 HD2 LYS A 18 -4.374 6.537 0.611 1.00 1.61 H new ATOM 0 HD3 LYS A 18 -5.888 6.312 -0.243 1.00 1.61 H new ATOM 0 HE2 LYS A 18 -5.340 8.662 1.614 1.00 2.12 H new ATOM 0 HE3 LYS A 18 -5.056 8.707 -0.114 1.00 2.12 H new ATOM 0 HZ1 LYS A 18 -7.170 9.646 0.364 1.00 2.78 H new ATOM 0 HZ2 LYS A 18 -7.420 8.173 -0.443 1.00 2.78 H new ATOM 0 HZ3 LYS A 18 -7.659 8.273 1.235 1.00 2.78 H new ATOM 283 N ASP A 19 -7.285 3.784 4.368 1.00 0.59 N ATOM 284 CA ASP A 19 -7.881 3.946 5.689 1.00 0.60 C ATOM 285 C ASP A 19 -6.991 3.305 6.748 1.00 0.50 C ATOM 286 O ASP A 19 -6.467 3.999 7.611 1.00 0.54 O ATOM 287 CB ASP A 19 -9.287 3.329 5.676 1.00 0.65 C ATOM 288 CG ASP A 19 -9.788 2.843 7.023 1.00 1.17 C ATOM 289 OD1 ASP A 19 -9.455 3.444 8.060 1.00 1.76 O ATOM 290 OD2 ASP A 19 -10.554 1.848 7.024 1.00 2.42 O ATOM 0 H ASP A 19 -7.938 3.443 3.663 1.00 0.59 H new ATOM 0 HA ASP A 19 -7.968 5.004 5.938 1.00 0.60 H new ATOM 0 HB2 ASP A 19 -9.988 4.069 5.290 1.00 0.65 H new ATOM 0 HB3 ASP A 19 -9.293 2.491 4.979 1.00 0.65 H new ATOM 295 N LEU A 20 -6.822 1.987 6.665 1.00 0.56 N ATOM 296 CA LEU A 20 -6.134 1.213 7.686 1.00 0.62 C ATOM 297 C LEU A 20 -4.774 1.839 7.979 1.00 0.54 C ATOM 298 O LEU A 20 -4.459 2.107 9.134 1.00 0.56 O ATOM 299 CB LEU A 20 -6.029 -0.252 7.241 1.00 0.77 C ATOM 300 CG LEU A 20 -5.461 -1.235 8.282 1.00 0.94 C ATOM 301 CD1 LEU A 20 -3.952 -1.368 8.260 1.00 1.70 C ATOM 302 CD2 LEU A 20 -5.985 -1.000 9.699 1.00 2.94 C ATOM 0 H LEU A 20 -7.161 1.427 5.883 1.00 0.56 H new ATOM 0 HA LEU A 20 -6.701 1.227 8.617 1.00 0.62 H new ATOM 0 HB2 LEU A 20 -7.022 -0.595 6.951 1.00 0.77 H new ATOM 0 HB3 LEU A 20 -5.403 -0.296 6.350 1.00 0.77 H new ATOM 0 HG LEU A 20 -5.851 -2.200 7.958 1.00 0.94 H new ATOM 0 HD11 LEU A 20 -3.638 -2.079 9.024 1.00 1.70 H new ATOM 0 HD12 LEU A 20 -3.632 -1.723 7.280 1.00 1.70 H new ATOM 0 HD13 LEU A 20 -3.498 -0.397 8.460 1.00 1.70 H new ATOM 0 HD21 LEU A 20 -5.541 -1.729 10.377 1.00 2.94 H new ATOM 0 HD22 LEU A 20 -5.718 0.006 10.023 1.00 2.94 H new ATOM 0 HD23 LEU A 20 -7.070 -1.109 9.709 1.00 2.94 H new ATOM 314 N ALA A 21 -3.979 2.097 6.938 1.00 0.51 N ATOM 315 CA ALA A 21 -2.704 2.787 7.095 1.00 0.50 C ATOM 316 C ALA A 21 -2.883 4.123 7.808 1.00 0.50 C ATOM 317 O ALA A 21 -2.244 4.364 8.831 1.00 0.60 O ATOM 318 CB ALA A 21 -2.002 2.983 5.732 1.00 0.58 C ATOM 0 H ALA A 21 -4.200 1.836 5.977 1.00 0.51 H new ATOM 0 HA ALA A 21 -2.065 2.158 7.715 1.00 0.50 H new ATOM 0 HB1 ALA A 21 -1.054 3.500 5.882 1.00 0.58 H new ATOM 0 HB2 ALA A 21 -1.817 2.011 5.275 1.00 0.58 H new ATOM 0 HB3 ALA A 21 -2.639 3.576 5.076 1.00 0.58 H new ATOM 324 N GLU A 22 -3.686 5.025 7.250 1.00 0.49 N ATOM 325 CA GLU A 22 -3.644 6.404 7.697 1.00 0.63 C ATOM 326 C GLU A 22 -4.102 6.409 9.159 1.00 0.77 C ATOM 327 O GLU A 22 -3.437 6.968 10.032 1.00 0.79 O ATOM 328 CB GLU A 22 -4.494 7.259 6.747 1.00 0.95 C ATOM 329 CG GLU A 22 -4.588 8.730 7.164 1.00 1.33 C ATOM 330 CD GLU A 22 -5.795 9.063 8.010 1.00 1.36 C ATOM 331 OE1 GLU A 22 -6.911 8.925 7.468 1.00 1.81 O ATOM 332 OE2 GLU A 22 -5.598 9.565 9.136 1.00 2.78 O ATOM 0 H GLU A 22 -4.356 4.829 6.506 1.00 0.49 H new ATOM 0 HA GLU A 22 -2.648 6.845 7.666 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -4.072 7.201 5.744 1.00 0.95 H new ATOM 0 HB3 GLU A 22 -5.499 6.840 6.695 1.00 0.95 H new ATOM 0 HG2 GLU A 22 -3.687 8.997 7.717 1.00 1.33 H new ATOM 0 HG3 GLU A 22 -4.606 9.349 6.267 1.00 1.33 H new ATOM 339 N LYS A 23 -5.187 5.692 9.447 1.00 0.90 N ATOM 340 CA LYS A 23 -5.685 5.533 10.794 1.00 1.12 C ATOM 341 C LYS A 23 -4.616 4.928 11.700 1.00 1.04 C ATOM 342 O LYS A 23 -4.352 5.502 12.752 1.00 1.15 O ATOM 343 CB LYS A 23 -7.004 4.752 10.804 1.00 1.47 C ATOM 344 CG LYS A 23 -7.788 4.891 12.122 1.00 2.23 C ATOM 345 CD LYS A 23 -7.883 6.339 12.630 1.00 3.86 C ATOM 346 CE LYS A 23 -9.020 6.497 13.649 1.00 4.69 C ATOM 347 NZ LYS A 23 -8.885 7.727 14.454 1.00 6.08 N ATOM 0 H LYS A 23 -5.742 5.206 8.742 1.00 0.90 H new ATOM 0 HA LYS A 23 -5.913 6.517 11.205 1.00 1.12 H new ATOM 0 HB2 LYS A 23 -7.629 5.098 9.980 1.00 1.47 H new ATOM 0 HB3 LYS A 23 -6.795 3.698 10.624 1.00 1.47 H new ATOM 0 HG2 LYS A 23 -8.795 4.498 11.980 1.00 2.23 H new ATOM 0 HG3 LYS A 23 -7.311 4.277 12.886 1.00 2.23 H new ATOM 0 HD2 LYS A 23 -6.938 6.629 13.088 1.00 3.86 H new ATOM 0 HD3 LYS A 23 -8.049 7.012 11.789 1.00 3.86 H new ATOM 0 HE2 LYS A 23 -9.975 6.512 13.124 1.00 4.69 H new ATOM 0 HE3 LYS A 23 -9.034 5.632 14.312 1.00 4.69 H new ATOM 0 HZ1 LYS A 23 -9.675 7.790 15.127 1.00 6.08 H new ATOM 0 HZ2 LYS A 23 -7.986 7.703 14.976 1.00 6.08 H new ATOM 0 HZ3 LYS A 23 -8.899 8.556 13.826 1.00 6.08 H new ATOM 361 N LEU A 24 -3.960 3.830 11.304 1.00 0.93 N ATOM 362 CA LEU A 24 -2.838 3.283 12.063 1.00 0.99 C ATOM 363 C LEU A 24 -1.813 4.371 12.369 1.00 1.00 C ATOM 364 O LEU A 24 -1.297 4.443 13.479 1.00 1.20 O ATOM 365 CB LEU A 24 -2.145 2.131 11.313 1.00 0.93 C ATOM 366 CG LEU A 24 -2.715 0.729 11.558 1.00 0.94 C ATOM 367 CD1 LEU A 24 -1.917 -0.265 10.706 1.00 1.02 C ATOM 368 CD2 LEU A 24 -2.569 0.275 13.014 1.00 1.15 C ATOM 0 H LEU A 24 -4.191 3.305 10.460 1.00 0.93 H new ATOM 0 HA LEU A 24 -3.247 2.891 12.994 1.00 0.99 H new ATOM 0 HB2 LEU A 24 -2.193 2.339 10.244 1.00 0.93 H new ATOM 0 HB3 LEU A 24 -1.091 2.126 11.590 1.00 0.93 H new ATOM 0 HG LEU A 24 -3.775 0.761 11.306 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -2.304 -1.272 10.863 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -2.012 0.000 9.653 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -0.867 -0.231 10.995 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -2.990 -0.724 13.128 1.00 1.15 H new ATOM 0 HD22 LEU A 24 -1.513 0.257 13.285 1.00 1.15 H new ATOM 0 HD23 LEU A 24 -3.100 0.969 13.666 1.00 1.15 H new ATOM 380 N SER A 25 -1.491 5.221 11.402 1.00 0.83 N ATOM 381 CA SER A 25 -0.514 6.270 11.629 1.00 0.85 C ATOM 382 C SER A 25 -1.011 7.281 12.670 1.00 1.07 C ATOM 383 O SER A 25 -0.193 7.959 13.286 1.00 1.27 O ATOM 384 CB SER A 25 -0.111 6.914 10.304 1.00 0.74 C ATOM 385 OG SER A 25 0.352 5.915 9.414 1.00 1.51 O ATOM 0 H SER A 25 -1.889 5.203 10.463 1.00 0.83 H new ATOM 0 HA SER A 25 0.388 5.830 12.054 1.00 0.85 H new ATOM 0 HB2 SER A 25 -0.962 7.438 9.869 1.00 0.74 H new ATOM 0 HB3 SER A 25 0.669 7.657 10.471 1.00 0.74 H new ATOM 0 HG SER A 25 0.522 5.088 9.911 1.00 1.51 H new ATOM 391 N ASN A 26 -2.322 7.376 12.908 1.00 1.16 N ATOM 392 CA ASN A 26 -2.831 8.046 14.092 1.00 1.28 C ATOM 393 C ASN A 26 -2.609 7.174 15.321 1.00 1.25 C ATOM 394 O ASN A 26 -1.968 7.610 16.274 1.00 1.36 O ATOM 395 CB ASN A 26 -4.315 8.425 14.014 1.00 1.38 C ATOM 396 CG ASN A 26 -4.751 9.311 12.852 1.00 1.59 C ATOM 397 OD1 ASN A 26 -5.180 10.440 13.072 1.00 2.60 O ATOM 398 ND2 ASN A 26 -4.710 8.817 11.624 1.00 1.65 N ATOM 0 H ASN A 26 -3.043 6.996 12.294 1.00 1.16 H new ATOM 0 HA ASN A 26 -2.272 8.979 14.162 1.00 1.28 H new ATOM 0 HB2 ASN A 26 -4.896 7.504 13.972 1.00 1.38 H new ATOM 0 HB3 ASN A 26 -4.583 8.930 14.942 1.00 1.38 H new ATOM 0 HD21 ASN A 26 -5.039 9.377 10.838 1.00 1.65 H new ATOM 0 HD22 ASN A 26 -4.349 7.876 11.464 1.00 1.65 H new ATOM 405 N GLU A 27 -3.162 5.958 15.330 1.00 1.39 N ATOM 406 CA GLU A 27 -3.222 5.153 16.540 1.00 1.58 C ATOM 407 C GLU A 27 -1.877 4.532 16.943 1.00 1.53 C ATOM 408 O GLU A 27 -1.821 3.875 17.984 1.00 1.84 O ATOM 409 CB GLU A 27 -4.372 4.130 16.477 1.00 2.01 C ATOM 410 CG GLU A 27 -4.350 3.164 15.298 1.00 1.94 C ATOM 411 CD GLU A 27 -5.457 2.134 15.380 1.00 2.22 C ATOM 412 OE1 GLU A 27 -6.640 2.536 15.363 1.00 3.32 O ATOM 413 OE2 GLU A 27 -5.138 0.927 15.410 1.00 2.70 O ATOM 0 H GLU A 27 -3.573 5.514 14.509 1.00 1.39 H new ATOM 0 HA GLU A 27 -3.450 5.841 17.355 1.00 1.58 H new ATOM 0 HB2 GLU A 27 -4.363 3.547 17.398 1.00 2.01 H new ATOM 0 HB3 GLU A 27 -5.315 4.676 16.455 1.00 2.01 H new ATOM 0 HG2 GLU A 27 -4.447 3.726 14.369 1.00 1.94 H new ATOM 0 HG3 GLU A 27 -3.386 2.657 15.265 1.00 1.94 H new ATOM 420 N ARG A 28 -0.814 4.701 16.157 1.00 1.44 N ATOM 421 CA ARG A 28 0.548 4.310 16.505 1.00 1.46 C ATOM 422 C ARG A 28 1.426 5.569 16.578 1.00 1.44 C ATOM 423 O ARG A 28 0.982 6.659 16.219 1.00 1.60 O ATOM 424 CB ARG A 28 1.082 3.280 15.496 1.00 1.39 C ATOM 425 CG ARG A 28 0.085 2.126 15.256 1.00 1.88 C ATOM 426 CD ARG A 28 0.726 0.733 15.322 1.00 1.75 C ATOM 427 NE ARG A 28 1.276 0.438 16.654 1.00 2.50 N ATOM 428 CZ ARG A 28 0.565 0.216 17.770 1.00 4.01 C ATOM 429 NH1 ARG A 28 -0.767 0.245 17.742 1.00 4.90 N ATOM 430 NH2 ARG A 28 1.198 -0.045 18.909 1.00 5.23 N ATOM 0 H ARG A 28 -0.881 5.127 15.233 1.00 1.44 H new ATOM 0 HA ARG A 28 0.565 3.828 17.483 1.00 1.46 H new ATOM 0 HB2 ARG A 28 1.294 3.777 14.550 1.00 1.39 H new ATOM 0 HB3 ARG A 28 2.025 2.873 15.860 1.00 1.39 H new ATOM 0 HG2 ARG A 28 -0.711 2.185 15.998 1.00 1.88 H new ATOM 0 HG3 ARG A 28 -0.380 2.256 14.279 1.00 1.88 H new ATOM 0 HD2 ARG A 28 -0.018 -0.020 15.063 1.00 1.75 H new ATOM 0 HD3 ARG A 28 1.521 0.665 14.579 1.00 1.75 H new ATOM 0 HE ARG A 28 2.292 0.399 16.737 1.00 2.50 H new ATOM 0 HH11 ARG A 28 -1.255 0.437 16.867 1.00 4.90 H new ATOM 0 HH12 ARG A 28 -1.299 0.075 18.596 1.00 4.90 H new ATOM 0 HH21 ARG A 28 2.217 -0.075 18.931 1.00 5.23 H new ATOM 0 HH22 ARG A 28 0.665 -0.215 19.762 1.00 5.23 H new ATOM 444 N ASP A 29 2.666 5.423 17.057 1.00 1.51 N ATOM 445 CA ASP A 29 3.639 6.506 17.213 1.00 1.73 C ATOM 446 C ASP A 29 5.015 5.893 16.996 1.00 1.38 C ATOM 447 O ASP A 29 5.808 5.760 17.930 1.00 2.48 O ATOM 448 CB ASP A 29 3.536 7.185 18.588 1.00 2.58 C ATOM 449 CG ASP A 29 2.333 8.084 18.713 1.00 3.94 C ATOM 450 OD1 ASP A 29 2.268 9.104 17.998 1.00 4.68 O ATOM 451 OD2 ASP A 29 1.474 7.782 19.571 1.00 5.04 O ATOM 0 H ASP A 29 3.030 4.518 17.356 1.00 1.51 H new ATOM 0 HA ASP A 29 3.445 7.295 16.486 1.00 1.73 H new ATOM 0 HB2 ASP A 29 3.492 6.419 19.363 1.00 2.58 H new ATOM 0 HB3 ASP A 29 4.439 7.769 18.767 1.00 2.58 H new ATOM 456 N ASP A 30 5.239 5.376 15.793 1.00 0.82 N ATOM 457 CA ASP A 30 6.310 4.428 15.519 1.00 1.43 C ATOM 458 C ASP A 30 6.663 4.495 14.037 1.00 1.30 C ATOM 459 O ASP A 30 7.620 5.150 13.617 1.00 1.51 O ATOM 460 CB ASP A 30 5.805 3.044 15.960 1.00 2.49 C ATOM 461 CG ASP A 30 6.717 1.901 15.578 1.00 2.80 C ATOM 462 OD1 ASP A 30 7.939 2.124 15.456 1.00 2.96 O ATOM 463 OD2 ASP A 30 6.173 0.780 15.491 1.00 3.80 O ATOM 0 H ASP A 30 4.676 5.606 14.974 1.00 0.82 H new ATOM 0 HA ASP A 30 7.226 4.654 16.066 1.00 1.43 H new ATOM 0 HB2 ASP A 30 5.676 3.045 17.042 1.00 2.49 H new ATOM 0 HB3 ASP A 30 4.822 2.872 15.522 1.00 2.49 H new ATOM 468 N PHE A 31 5.826 3.871 13.219 1.00 1.04 N ATOM 469 CA PHE A 31 5.936 3.905 11.789 1.00 0.89 C ATOM 470 C PHE A 31 5.273 5.169 11.252 1.00 0.83 C ATOM 471 O PHE A 31 4.433 5.767 11.926 1.00 1.02 O ATOM 472 CB PHE A 31 5.275 2.630 11.269 1.00 0.79 C ATOM 473 CG PHE A 31 3.809 2.737 10.903 1.00 0.71 C ATOM 474 CD1 PHE A 31 2.831 2.883 11.901 1.00 2.46 C ATOM 475 CD2 PHE A 31 3.443 2.750 9.549 1.00 1.73 C ATOM 476 CE1 PHE A 31 1.488 3.060 11.538 1.00 2.73 C ATOM 477 CE2 PHE A 31 2.093 2.849 9.194 1.00 1.83 C ATOM 478 CZ PHE A 31 1.113 3.016 10.185 1.00 1.53 C ATOM 0 H PHE A 31 5.037 3.317 13.552 1.00 1.04 H new ATOM 0 HA PHE A 31 6.973 3.938 11.455 1.00 0.89 H new ATOM 0 HB2 PHE A 31 5.824 2.294 10.389 1.00 0.79 H new ATOM 0 HB3 PHE A 31 5.383 1.855 12.027 1.00 0.79 H new ATOM 0 HD1 PHE A 31 3.112 2.859 12.943 1.00 2.46 H new ATOM 0 HD2 PHE A 31 4.201 2.684 8.783 1.00 1.73 H new ATOM 0 HE1 PHE A 31 0.741 3.230 12.299 1.00 2.73 H new ATOM 0 HE2 PHE A 31 1.804 2.797 8.155 1.00 1.83 H new ATOM 0 HZ PHE A 31 0.073 3.110 9.908 1.00 1.53 H new ATOM 488 N GLN A 32 5.661 5.578 10.050 1.00 0.84 N ATOM 489 CA GLN A 32 5.029 6.667 9.323 1.00 0.81 C ATOM 490 C GLN A 32 4.535 6.129 7.980 1.00 0.61 C ATOM 491 O GLN A 32 4.825 4.990 7.615 1.00 0.71 O ATOM 492 CB GLN A 32 6.041 7.804 9.155 1.00 1.06 C ATOM 493 CG GLN A 32 6.297 8.526 10.487 1.00 1.37 C ATOM 494 CD GLN A 32 7.764 8.526 10.909 1.00 2.89 C ATOM 495 OE1 GLN A 32 8.192 7.710 11.724 1.00 4.39 O ATOM 496 NE2 GLN A 32 8.558 9.448 10.377 1.00 3.66 N ATOM 0 H GLN A 32 6.439 5.152 9.546 1.00 0.84 H new ATOM 0 HA GLN A 32 4.171 7.065 9.865 1.00 0.81 H new ATOM 0 HB2 GLN A 32 6.979 7.405 8.769 1.00 1.06 H new ATOM 0 HB3 GLN A 32 5.671 8.517 8.418 1.00 1.06 H new ATOM 0 HG2 GLN A 32 5.951 9.556 10.405 1.00 1.37 H new ATOM 0 HG3 GLN A 32 5.703 8.052 11.268 1.00 1.37 H new ATOM 0 HE21 GLN A 32 8.184 10.116 9.703 1.00 3.66 H new ATOM 0 HE22 GLN A 32 9.542 9.488 10.643 1.00 3.66 H new ATOM 505 N TYR A 33 3.779 6.942 7.247 1.00 0.67 N ATOM 506 CA TYR A 33 3.258 6.597 5.934 1.00 0.58 C ATOM 507 C TYR A 33 3.621 7.717 4.965 1.00 0.66 C ATOM 508 O TYR A 33 4.041 8.792 5.402 1.00 1.16 O ATOM 509 CB TYR A 33 1.761 6.298 6.038 1.00 0.93 C ATOM 510 CG TYR A 33 0.760 7.289 5.485 1.00 0.99 C ATOM 511 CD1 TYR A 33 0.340 7.175 4.147 1.00 1.95 C ATOM 512 CD2 TYR A 33 0.056 8.127 6.368 1.00 2.20 C ATOM 513 CE1 TYR A 33 -0.775 7.896 3.692 1.00 2.13 C ATOM 514 CE2 TYR A 33 -1.068 8.833 5.914 1.00 2.08 C ATOM 515 CZ TYR A 33 -1.477 8.723 4.577 1.00 1.10 C ATOM 516 OH TYR A 33 -2.510 9.494 4.141 1.00 1.31 O ATOM 0 H TYR A 33 3.508 7.875 7.557 1.00 0.67 H new ATOM 0 HA TYR A 33 3.707 5.685 5.540 1.00 0.58 H new ATOM 0 HB2 TYR A 33 1.584 5.344 5.541 1.00 0.93 H new ATOM 0 HB3 TYR A 33 1.530 6.156 7.094 1.00 0.93 H new ATOM 0 HD1 TYR A 33 0.878 6.530 3.467 1.00 1.95 H new ATOM 0 HD2 TYR A 33 0.380 8.227 7.393 1.00 2.20 H new ATOM 0 HE1 TYR A 33 -1.090 7.813 2.662 1.00 2.13 H new ATOM 0 HE2 TYR A 33 -1.620 9.463 6.596 1.00 2.08 H new ATOM 0 HH TYR A 33 -2.880 10.002 4.893 1.00 1.31 H new ATOM 526 N GLN A 34 3.477 7.494 3.665 1.00 0.58 N ATOM 527 CA GLN A 34 3.446 8.550 2.668 1.00 0.62 C ATOM 528 C GLN A 34 2.627 8.024 1.501 1.00 0.59 C ATOM 529 O GLN A 34 2.589 6.818 1.282 1.00 0.66 O ATOM 530 CB GLN A 34 4.868 8.914 2.228 1.00 0.75 C ATOM 531 CG GLN A 34 4.839 10.052 1.201 1.00 1.29 C ATOM 532 CD GLN A 34 6.230 10.476 0.779 1.00 1.88 C ATOM 533 OE1 GLN A 34 6.704 10.111 -0.291 1.00 2.81 O ATOM 534 NE2 GLN A 34 6.911 11.256 1.595 1.00 3.03 N ATOM 0 H GLN A 34 3.377 6.559 3.270 1.00 0.58 H new ATOM 0 HA GLN A 34 2.999 9.460 3.069 1.00 0.62 H new ATOM 0 HB2 GLN A 34 5.457 9.214 3.095 1.00 0.75 H new ATOM 0 HB3 GLN A 34 5.356 8.040 1.797 1.00 0.75 H new ATOM 0 HG2 GLN A 34 4.276 9.733 0.324 1.00 1.29 H new ATOM 0 HG3 GLN A 34 4.313 10.908 1.624 1.00 1.29 H new ATOM 0 HE21 GLN A 34 6.500 11.550 2.481 1.00 3.03 H new ATOM 0 HE22 GLN A 34 7.849 11.566 1.340 1.00 3.03 H new ATOM 543 N TYR A 35 1.982 8.899 0.740 1.00 0.70 N ATOM 544 CA TYR A 35 1.264 8.505 -0.455 1.00 0.75 C ATOM 545 C TYR A 35 1.932 9.113 -1.697 1.00 0.87 C ATOM 546 O TYR A 35 2.616 10.135 -1.612 1.00 1.14 O ATOM 547 CB TYR A 35 -0.209 8.855 -0.252 1.00 0.80 C ATOM 548 CG TYR A 35 -1.133 8.246 -1.271 1.00 0.88 C ATOM 549 CD1 TYR A 35 -1.183 8.848 -2.536 1.00 2.32 C ATOM 550 CD2 TYR A 35 -2.108 7.303 -0.904 1.00 1.53 C ATOM 551 CE1 TYR A 35 -2.174 8.482 -3.443 1.00 2.45 C ATOM 552 CE2 TYR A 35 -3.096 6.922 -1.829 1.00 1.50 C ATOM 553 CZ TYR A 35 -3.163 7.565 -3.072 1.00 1.15 C ATOM 554 OH TYR A 35 -4.272 7.435 -3.844 1.00 1.44 O ATOM 0 H TYR A 35 1.945 9.899 0.937 1.00 0.70 H new ATOM 0 HA TYR A 35 1.304 7.430 -0.634 1.00 0.75 H new ATOM 0 HB2 TYR A 35 -0.515 8.527 0.741 1.00 0.80 H new ATOM 0 HB3 TYR A 35 -0.320 9.939 -0.279 1.00 0.80 H new ATOM 0 HD1 TYR A 35 -0.453 9.596 -2.807 1.00 2.32 H new ATOM 0 HD2 TYR A 35 -2.098 6.872 0.086 1.00 1.53 H new ATOM 0 HE1 TYR A 35 -2.179 8.907 -4.436 1.00 2.45 H new ATOM 0 HE2 TYR A 35 -3.798 6.139 -1.583 1.00 1.50 H new ATOM 0 HH TYR A 35 -4.853 6.741 -3.468 1.00 1.44 H new ATOM 564 N VAL A 36 1.799 8.447 -2.837 1.00 0.82 N ATOM 565 CA VAL A 36 2.539 8.677 -4.063 1.00 0.93 C ATOM 566 C VAL A 36 1.573 8.407 -5.224 1.00 1.04 C ATOM 567 O VAL A 36 1.229 7.254 -5.479 1.00 1.26 O ATOM 568 CB VAL A 36 3.743 7.709 -4.061 1.00 0.87 C ATOM 569 CG1 VAL A 36 4.461 7.678 -5.418 1.00 1.07 C ATOM 570 CG2 VAL A 36 4.765 8.099 -2.984 1.00 0.91 C ATOM 0 H VAL A 36 1.128 7.685 -2.932 1.00 0.82 H new ATOM 0 HA VAL A 36 2.920 9.694 -4.158 1.00 0.93 H new ATOM 0 HB VAL A 36 3.336 6.720 -3.850 1.00 0.87 H new ATOM 0 HG11 VAL A 36 5.300 6.984 -5.370 1.00 1.07 H new ATOM 0 HG12 VAL A 36 3.765 7.352 -6.191 1.00 1.07 H new ATOM 0 HG13 VAL A 36 4.828 8.676 -5.658 1.00 1.07 H new ATOM 0 HG21 VAL A 36 5.601 7.400 -3.006 1.00 0.91 H new ATOM 0 HG22 VAL A 36 5.130 9.108 -3.177 1.00 0.91 H new ATOM 0 HG23 VAL A 36 4.290 8.066 -2.003 1.00 0.91 H new ATOM 580 N ASP A 37 1.115 9.435 -5.943 1.00 1.11 N ATOM 581 CA ASP A 37 0.272 9.234 -7.114 1.00 1.22 C ATOM 582 C ASP A 37 1.023 8.707 -8.330 1.00 1.15 C ATOM 583 O ASP A 37 1.868 9.379 -8.918 1.00 1.29 O ATOM 584 CB ASP A 37 -0.634 10.425 -7.455 1.00 1.38 C ATOM 585 CG ASP A 37 -1.715 10.677 -6.431 1.00 1.76 C ATOM 586 OD1 ASP A 37 -1.490 11.346 -5.400 1.00 2.83 O ATOM 587 OD2 ASP A 37 -2.823 10.155 -6.687 1.00 2.11 O ATOM 0 H ASP A 37 1.316 10.412 -5.731 1.00 1.11 H new ATOM 0 HA ASP A 37 -0.405 8.436 -6.809 1.00 1.22 H new ATOM 0 HB2 ASP A 37 -0.021 11.321 -7.551 1.00 1.38 H new ATOM 0 HB3 ASP A 37 -1.098 10.251 -8.426 1.00 1.38 H new ATOM 592 N ILE A 38 0.647 7.498 -8.746 1.00 1.06 N ATOM 593 CA ILE A 38 1.100 6.902 -9.986 1.00 1.00 C ATOM 594 C ILE A 38 0.715 7.805 -11.161 1.00 1.08 C ATOM 595 O ILE A 38 1.529 8.018 -12.058 1.00 1.11 O ATOM 596 CB ILE A 38 0.580 5.454 -10.108 1.00 1.07 C ATOM 597 CG1 ILE A 38 -0.947 5.313 -10.229 1.00 1.27 C ATOM 598 CG2 ILE A 38 1.090 4.623 -8.922 1.00 1.14 C ATOM 599 CD1 ILE A 38 -1.364 5.136 -11.694 1.00 1.83 C ATOM 0 H ILE A 38 0.009 6.903 -8.217 1.00 1.06 H new ATOM 0 HA ILE A 38 2.187 6.826 -9.998 1.00 1.00 H new ATOM 0 HB ILE A 38 0.976 5.081 -11.053 1.00 1.07 H new ATOM 0 HG12 ILE A 38 -1.285 4.457 -9.644 1.00 1.27 H new ATOM 0 HG13 ILE A 38 -1.432 6.196 -9.812 1.00 1.27 H new ATOM 0 HG21 ILE A 38 0.722 3.601 -9.009 1.00 1.14 H new ATOM 0 HG22 ILE A 38 2.180 4.618 -8.923 1.00 1.14 H new ATOM 0 HG23 ILE A 38 0.730 5.060 -7.990 1.00 1.14 H new ATOM 0 HD11 ILE A 38 -2.448 5.038 -11.755 1.00 1.83 H new ATOM 0 HD12 ILE A 38 -1.045 6.004 -12.271 1.00 1.83 H new ATOM 0 HD13 ILE A 38 -0.896 4.239 -12.100 1.00 1.83 H new ATOM 611 N ARG A 39 -0.490 8.397 -11.127 1.00 1.29 N ATOM 612 CA ARG A 39 -0.857 9.469 -12.049 1.00 1.49 C ATOM 613 C ARG A 39 -0.286 10.826 -11.615 1.00 1.53 C ATOM 614 O ARG A 39 -1.006 11.818 -11.541 1.00 2.13 O ATOM 615 CB ARG A 39 -2.369 9.521 -12.328 1.00 1.92 C ATOM 616 CG ARG A 39 -3.056 8.155 -12.424 1.00 2.90 C ATOM 617 CD ARG A 39 -4.497 8.352 -12.923 1.00 3.42 C ATOM 618 NE ARG A 39 -5.125 7.094 -13.369 1.00 4.51 N ATOM 619 CZ ARG A 39 -4.707 6.322 -14.384 1.00 6.23 C ATOM 620 NH1 ARG A 39 -3.835 6.763 -15.292 1.00 7.36 N ATOM 621 NH2 ARG A 39 -5.165 5.078 -14.447 1.00 7.28 N ATOM 0 H ARG A 39 -1.225 8.146 -10.466 1.00 1.29 H new ATOM 0 HA ARG A 39 -0.388 9.229 -13.003 1.00 1.49 H new ATOM 0 HB2 ARG A 39 -2.850 10.098 -11.538 1.00 1.92 H new ATOM 0 HB3 ARG A 39 -2.533 10.060 -13.261 1.00 1.92 H new ATOM 0 HG2 ARG A 39 -2.507 7.505 -13.106 1.00 2.90 H new ATOM 0 HG3 ARG A 39 -3.059 7.666 -11.450 1.00 2.90 H new ATOM 0 HD2 ARG A 39 -5.097 8.789 -12.124 1.00 3.42 H new ATOM 0 HD3 ARG A 39 -4.497 9.065 -13.748 1.00 3.42 H new ATOM 0 HE ARG A 39 -5.952 6.783 -12.860 1.00 4.51 H new ATOM 0 HH11 ARG A 39 -3.466 7.712 -15.226 1.00 7.36 H new ATOM 0 HH12 ARG A 39 -3.537 6.151 -16.052 1.00 7.36 H new ATOM 0 HH21 ARG A 39 -5.814 4.737 -13.738 1.00 7.28 H new ATOM 0 HH22 ARG A 39 -4.868 4.463 -15.205 1.00 7.28 H new ATOM 635 N ALA A 40 1.010 10.863 -11.330 1.00 1.73 N ATOM 636 CA ALA A 40 1.786 12.070 -11.082 1.00 1.83 C ATOM 637 C ALA A 40 3.244 11.737 -11.383 1.00 1.82 C ATOM 638 O ALA A 40 3.908 12.430 -12.149 1.00 2.11 O ATOM 639 CB ALA A 40 1.592 12.577 -9.650 1.00 1.79 C ATOM 0 H ALA A 40 1.573 10.015 -11.263 1.00 1.73 H new ATOM 0 HA ALA A 40 1.450 12.883 -11.726 1.00 1.83 H new ATOM 0 HB1 ALA A 40 2.186 13.479 -9.500 1.00 1.79 H new ATOM 0 HB2 ALA A 40 0.539 12.804 -9.484 1.00 1.79 H new ATOM 0 HB3 ALA A 40 1.913 11.810 -8.946 1.00 1.79 H new ATOM 645 N GLU A 41 3.708 10.599 -10.866 1.00 1.58 N ATOM 646 CA GLU A 41 5.000 10.037 -11.224 1.00 1.72 C ATOM 647 C GLU A 41 4.972 9.423 -12.635 1.00 1.70 C ATOM 648 O GLU A 41 6.030 9.169 -13.212 1.00 2.37 O ATOM 649 CB GLU A 41 5.361 8.972 -10.185 1.00 1.65 C ATOM 650 CG GLU A 41 5.731 9.564 -8.821 1.00 1.77 C ATOM 651 CD GLU A 41 7.117 10.170 -8.832 1.00 2.46 C ATOM 652 OE1 GLU A 41 8.031 9.530 -9.398 1.00 3.13 O ATOM 653 OE2 GLU A 41 7.274 11.282 -8.289 1.00 3.33 O ATOM 0 H GLU A 41 3.192 10.043 -10.184 1.00 1.58 H new ATOM 0 HA GLU A 41 5.750 10.828 -11.233 1.00 1.72 H new ATOM 0 HB2 GLU A 41 4.518 8.292 -10.063 1.00 1.65 H new ATOM 0 HB3 GLU A 41 6.197 8.380 -10.556 1.00 1.65 H new ATOM 0 HG2 GLU A 41 5.003 10.327 -8.545 1.00 1.77 H new ATOM 0 HG3 GLU A 41 5.680 8.785 -8.060 1.00 1.77 H new ATOM 660 N GLY A 42 3.792 9.147 -13.191 1.00 1.23 N ATOM 661 CA GLY A 42 3.664 8.582 -14.522 1.00 1.28 C ATOM 662 C GLY A 42 4.086 7.115 -14.494 1.00 1.27 C ATOM 663 O GLY A 42 5.078 6.729 -15.112 1.00 1.80 O ATOM 0 H GLY A 42 2.900 9.312 -12.725 1.00 1.23 H new ATOM 0 HA2 GLY A 42 2.634 8.669 -14.868 1.00 1.28 H new ATOM 0 HA3 GLY A 42 4.285 9.137 -15.226 1.00 1.28 H new ATOM 667 N ILE A 43 3.342 6.297 -13.751 1.00 0.99 N ATOM 668 CA ILE A 43 3.572 4.861 -13.626 1.00 0.91 C ATOM 669 C ILE A 43 2.379 4.126 -14.241 1.00 0.97 C ATOM 670 O ILE A 43 1.232 4.473 -13.959 1.00 1.05 O ATOM 671 CB ILE A 43 3.826 4.520 -12.142 1.00 0.84 C ATOM 672 CG1 ILE A 43 5.321 4.615 -11.796 1.00 1.19 C ATOM 673 CG2 ILE A 43 3.327 3.128 -11.763 1.00 0.92 C ATOM 674 CD1 ILE A 43 5.698 5.989 -11.271 1.00 1.39 C ATOM 0 H ILE A 43 2.544 6.624 -13.207 1.00 0.99 H new ATOM 0 HA ILE A 43 4.459 4.537 -14.170 1.00 0.91 H new ATOM 0 HB ILE A 43 3.262 5.257 -11.570 1.00 0.84 H new ATOM 0 HG12 ILE A 43 5.569 3.861 -11.049 1.00 1.19 H new ATOM 0 HG13 ILE A 43 5.913 4.391 -12.683 1.00 1.19 H new ATOM 0 HG21 ILE A 43 3.532 2.943 -10.709 1.00 0.92 H new ATOM 0 HG22 ILE A 43 2.253 3.066 -11.940 1.00 0.92 H new ATOM 0 HG23 ILE A 43 3.839 2.380 -12.369 1.00 0.92 H new ATOM 0 HD11 ILE A 43 6.763 6.010 -11.039 1.00 1.39 H new ATOM 0 HD12 ILE A 43 5.476 6.741 -12.028 1.00 1.39 H new ATOM 0 HD13 ILE A 43 5.126 6.203 -10.368 1.00 1.39 H new ATOM 686 N THR A 44 2.635 3.147 -15.109 1.00 1.04 N ATOM 687 CA THR A 44 1.627 2.389 -15.839 1.00 1.21 C ATOM 688 C THR A 44 1.277 1.108 -15.073 1.00 1.24 C ATOM 689 O THR A 44 1.895 0.805 -14.054 1.00 1.08 O ATOM 690 CB THR A 44 2.202 2.073 -17.228 1.00 1.33 C ATOM 691 OG1 THR A 44 3.383 1.309 -17.077 1.00 1.25 O ATOM 692 CG2 THR A 44 2.536 3.369 -17.974 1.00 1.52 C ATOM 0 H THR A 44 3.586 2.852 -15.329 1.00 1.04 H new ATOM 0 HA THR A 44 0.706 2.962 -15.945 1.00 1.21 H new ATOM 0 HB THR A 44 1.461 1.515 -17.800 1.00 1.33 H new ATOM 0 HG1 THR A 44 3.754 1.102 -17.960 1.00 1.25 H new ATOM 0 HG21 THR A 44 2.942 3.129 -18.956 1.00 1.52 H new ATOM 0 HG22 THR A 44 1.631 3.965 -18.091 1.00 1.52 H new ATOM 0 HG23 THR A 44 3.273 3.937 -17.405 1.00 1.52 H new ATOM 700 N LYS A 45 0.296 0.332 -15.551 1.00 1.52 N ATOM 701 CA LYS A 45 0.002 -0.977 -15.003 1.00 1.67 C ATOM 702 C LYS A 45 1.228 -1.865 -15.052 1.00 1.45 C ATOM 703 O LYS A 45 1.553 -2.532 -14.076 1.00 1.34 O ATOM 704 CB LYS A 45 -1.121 -1.623 -15.826 1.00 2.14 C ATOM 705 CG LYS A 45 -1.715 -2.853 -15.138 1.00 2.55 C ATOM 706 CD LYS A 45 -1.005 -4.196 -15.403 1.00 3.75 C ATOM 707 CE LYS A 45 -1.651 -5.041 -16.514 1.00 5.07 C ATOM 708 NZ LYS A 45 -1.709 -4.343 -17.806 1.00 5.91 N ATOM 0 H LYS A 45 -0.309 0.603 -16.327 1.00 1.52 H new ATOM 0 HA LYS A 45 -0.306 -0.863 -13.964 1.00 1.67 H new ATOM 0 HB2 LYS A 45 -1.909 -0.890 -15.998 1.00 2.14 H new ATOM 0 HB3 LYS A 45 -0.733 -1.909 -16.804 1.00 2.14 H new ATOM 0 HG2 LYS A 45 -1.719 -2.675 -14.063 1.00 2.55 H new ATOM 0 HG3 LYS A 45 -2.755 -2.949 -15.449 1.00 2.55 H new ATOM 0 HD2 LYS A 45 0.034 -3.999 -15.669 1.00 3.75 H new ATOM 0 HD3 LYS A 45 -0.993 -4.776 -14.480 1.00 3.75 H new ATOM 0 HE2 LYS A 45 -1.088 -5.967 -16.632 1.00 5.07 H new ATOM 0 HE3 LYS A 45 -2.661 -5.318 -16.211 1.00 5.07 H new ATOM 0 HZ1 LYS A 45 -2.463 -4.757 -18.391 1.00 5.91 H new ATOM 0 HZ2 LYS A 45 -1.908 -3.335 -17.647 1.00 5.91 H new ATOM 0 HZ3 LYS A 45 -0.797 -4.443 -18.296 1.00 5.91 H new ATOM 722 N GLU A 46 1.843 -1.939 -16.226 1.00 1.48 N ATOM 723 CA GLU A 46 2.928 -2.845 -16.471 1.00 1.34 C ATOM 724 C GLU A 46 4.035 -2.531 -15.467 1.00 1.06 C ATOM 725 O GLU A 46 4.504 -3.416 -14.754 1.00 0.92 O ATOM 726 CB GLU A 46 3.358 -2.718 -17.938 1.00 1.52 C ATOM 727 CG GLU A 46 2.252 -2.332 -18.943 1.00 2.02 C ATOM 728 CD GLU A 46 0.980 -3.147 -18.832 1.00 2.51 C ATOM 729 OE1 GLU A 46 0.990 -4.269 -18.292 1.00 3.49 O ATOM 730 OE2 GLU A 46 -0.094 -2.645 -19.225 1.00 3.64 O ATOM 0 H GLU A 46 1.592 -1.364 -17.030 1.00 1.48 H new ATOM 0 HA GLU A 46 2.646 -3.888 -16.326 1.00 1.34 H new ATOM 0 HB2 GLU A 46 4.151 -1.973 -17.999 1.00 1.52 H new ATOM 0 HB3 GLU A 46 3.789 -3.669 -18.252 1.00 1.52 H new ATOM 0 HG2 GLU A 46 2.006 -1.279 -18.804 1.00 2.02 H new ATOM 0 HG3 GLU A 46 2.647 -2.436 -19.954 1.00 2.02 H new ATOM 737 N ASP A 47 4.380 -1.245 -15.368 1.00 0.98 N ATOM 738 CA ASP A 47 5.433 -0.796 -14.476 1.00 0.79 C ATOM 739 C ASP A 47 5.063 -1.175 -13.046 1.00 0.70 C ATOM 740 O ASP A 47 5.850 -1.800 -12.343 1.00 0.63 O ATOM 741 CB ASP A 47 5.588 0.717 -14.554 1.00 0.88 C ATOM 742 CG ASP A 47 6.636 1.162 -13.556 1.00 0.85 C ATOM 743 OD1 ASP A 47 7.796 0.728 -13.699 1.00 1.70 O ATOM 744 OD2 ASP A 47 6.320 1.947 -12.646 1.00 1.60 O ATOM 0 H ASP A 47 3.937 -0.497 -15.902 1.00 0.98 H new ATOM 0 HA ASP A 47 6.371 -1.267 -14.770 1.00 0.79 H new ATOM 0 HB2 ASP A 47 5.879 1.013 -15.562 1.00 0.88 H new ATOM 0 HB3 ASP A 47 4.636 1.204 -14.341 1.00 0.88 H new ATOM 749 N LEU A 48 3.843 -0.829 -12.630 1.00 0.85 N ATOM 750 CA LEU A 48 3.295 -1.224 -11.344 1.00 0.97 C ATOM 751 C LEU A 48 3.534 -2.701 -11.056 1.00 0.92 C ATOM 752 O LEU A 48 4.049 -3.049 -10.000 1.00 0.95 O ATOM 753 CB LEU A 48 1.790 -0.932 -11.300 1.00 1.23 C ATOM 754 CG LEU A 48 1.480 0.376 -10.580 1.00 1.32 C ATOM 755 CD1 LEU A 48 0.076 0.864 -10.950 1.00 1.71 C ATOM 756 CD2 LEU A 48 1.615 0.223 -9.062 1.00 1.58 C ATOM 0 H LEU A 48 3.206 -0.260 -13.188 1.00 0.85 H new ATOM 0 HA LEU A 48 3.808 -0.642 -10.578 1.00 0.97 H new ATOM 0 HB2 LEU A 48 1.400 -0.887 -12.317 1.00 1.23 H new ATOM 0 HB3 LEU A 48 1.277 -1.752 -10.798 1.00 1.23 H new ATOM 0 HG LEU A 48 2.208 1.120 -10.903 1.00 1.32 H new ATOM 0 HD11 LEU A 48 -0.133 1.799 -10.429 1.00 1.71 H new ATOM 0 HD12 LEU A 48 0.019 1.027 -12.026 1.00 1.71 H new ATOM 0 HD13 LEU A 48 -0.659 0.114 -10.658 1.00 1.71 H new ATOM 0 HD21 LEU A 48 1.387 1.173 -8.579 1.00 1.58 H new ATOM 0 HD22 LEU A 48 0.920 -0.539 -8.710 1.00 1.58 H new ATOM 0 HD23 LEU A 48 2.634 -0.074 -8.815 1.00 1.58 H new ATOM 768 N GLN A 49 3.120 -3.582 -11.960 1.00 0.93 N ATOM 769 CA GLN A 49 3.246 -5.010 -11.794 1.00 0.92 C ATOM 770 C GLN A 49 4.720 -5.417 -11.720 1.00 0.80 C ATOM 771 O GLN A 49 5.079 -6.292 -10.925 1.00 0.88 O ATOM 772 CB GLN A 49 2.395 -5.690 -12.878 1.00 0.99 C ATOM 773 CG GLN A 49 3.138 -6.614 -13.845 1.00 0.96 C ATOM 774 CD GLN A 49 2.247 -7.088 -14.992 1.00 1.15 C ATOM 775 OE1 GLN A 49 2.736 -7.489 -16.045 1.00 1.44 O ATOM 776 NE2 GLN A 49 0.927 -7.095 -14.818 1.00 1.27 N ATOM 0 H GLN A 49 2.681 -3.311 -12.840 1.00 0.93 H new ATOM 0 HA GLN A 49 2.849 -5.357 -10.840 1.00 0.92 H new ATOM 0 HB2 GLN A 49 1.613 -6.268 -12.386 1.00 0.99 H new ATOM 0 HB3 GLN A 49 1.899 -4.913 -13.460 1.00 0.99 H new ATOM 0 HG2 GLN A 49 4.003 -6.091 -14.252 1.00 0.96 H new ATOM 0 HG3 GLN A 49 3.516 -7.479 -13.300 1.00 0.96 H new ATOM 0 HE21 GLN A 49 0.526 -6.761 -13.942 1.00 1.27 H new ATOM 0 HE22 GLN A 49 0.316 -7.435 -15.561 1.00 1.27 H new ATOM 785 N GLN A 50 5.594 -4.776 -12.504 1.00 0.67 N ATOM 786 CA GLN A 50 7.026 -4.970 -12.349 1.00 0.62 C ATOM 787 C GLN A 50 7.426 -4.648 -10.910 1.00 0.87 C ATOM 788 O GLN A 50 7.922 -5.533 -10.216 1.00 1.22 O ATOM 789 CB GLN A 50 7.870 -4.182 -13.354 1.00 0.70 C ATOM 790 CG GLN A 50 8.164 -4.969 -14.633 1.00 1.27 C ATOM 791 CD GLN A 50 7.017 -4.915 -15.628 1.00 2.59 C ATOM 792 OE1 GLN A 50 6.930 -3.968 -16.409 1.00 3.25 O ATOM 793 NE2 GLN A 50 6.178 -5.941 -15.674 1.00 4.05 N ATOM 0 H GLN A 50 5.331 -4.125 -13.244 1.00 0.67 H new ATOM 0 HA GLN A 50 7.236 -6.017 -12.567 1.00 0.62 H new ATOM 0 HB2 GLN A 50 7.350 -3.260 -13.613 1.00 0.70 H new ATOM 0 HB3 GLN A 50 8.812 -3.896 -12.885 1.00 0.70 H new ATOM 0 HG2 GLN A 50 9.065 -4.572 -15.101 1.00 1.27 H new ATOM 0 HG3 GLN A 50 8.369 -6.008 -14.377 1.00 1.27 H new ATOM 0 HE21 GLN A 50 6.277 -6.711 -15.012 1.00 4.05 H new ATOM 0 HE22 GLN A 50 5.434 -5.960 -16.371 1.00 4.05 H new ATOM 802 N LYS A 51 7.159 -3.425 -10.458 1.00 0.86 N ATOM 803 CA LYS A 51 7.542 -2.908 -9.150 1.00 1.12 C ATOM 804 C LYS A 51 7.030 -3.863 -8.074 1.00 1.30 C ATOM 805 O LYS A 51 7.766 -4.258 -7.172 1.00 1.52 O ATOM 806 CB LYS A 51 6.942 -1.494 -8.974 1.00 1.17 C ATOM 807 CG LYS A 51 7.838 -0.512 -8.203 1.00 1.59 C ATOM 808 CD LYS A 51 7.931 -0.810 -6.706 1.00 2.49 C ATOM 809 CE LYS A 51 9.092 -0.079 -6.024 1.00 2.51 C ATOM 810 NZ LYS A 51 10.415 -0.658 -6.350 1.00 3.77 N ATOM 0 H LYS A 51 6.649 -2.741 -11.017 1.00 0.86 H new ATOM 0 HA LYS A 51 8.626 -2.836 -9.063 1.00 1.12 H new ATOM 0 HB2 LYS A 51 6.732 -1.077 -9.959 1.00 1.17 H new ATOM 0 HB3 LYS A 51 5.988 -1.580 -8.454 1.00 1.17 H new ATOM 0 HG2 LYS A 51 8.840 -0.535 -8.632 1.00 1.59 H new ATOM 0 HG3 LYS A 51 7.455 0.499 -8.340 1.00 1.59 H new ATOM 0 HD2 LYS A 51 6.996 -0.524 -6.225 1.00 2.49 H new ATOM 0 HD3 LYS A 51 8.049 -1.884 -6.561 1.00 2.49 H new ATOM 0 HE2 LYS A 51 9.078 0.970 -6.321 1.00 2.51 H new ATOM 0 HE3 LYS A 51 8.946 -0.106 -4.944 1.00 2.51 H new ATOM 0 HZ1 LYS A 51 11.156 -0.143 -5.833 1.00 3.77 H new ATOM 0 HZ2 LYS A 51 10.433 -1.660 -6.074 1.00 3.77 H new ATOM 0 HZ3 LYS A 51 10.587 -0.578 -7.373 1.00 3.77 H new ATOM 824 N ALA A 52 5.762 -4.242 -8.174 1.00 1.26 N ATOM 825 CA ALA A 52 5.123 -5.169 -7.266 1.00 1.46 C ATOM 826 C ALA A 52 5.961 -6.432 -7.124 1.00 1.42 C ATOM 827 O ALA A 52 6.304 -6.826 -6.010 1.00 1.54 O ATOM 828 CB ALA A 52 3.705 -5.484 -7.746 1.00 1.47 C ATOM 0 H ALA A 52 5.140 -3.902 -8.908 1.00 1.26 H new ATOM 0 HA ALA A 52 5.047 -4.710 -6.280 1.00 1.46 H new ATOM 0 HB1 ALA A 52 3.234 -6.183 -7.055 1.00 1.47 H new ATOM 0 HB2 ALA A 52 3.122 -4.564 -7.786 1.00 1.47 H new ATOM 0 HB3 ALA A 52 3.748 -5.930 -8.740 1.00 1.47 H new ATOM 834 N GLY A 53 6.297 -7.051 -8.253 1.00 1.32 N ATOM 835 CA GLY A 53 6.970 -8.341 -8.274 1.00 1.33 C ATOM 836 C GLY A 53 6.006 -9.447 -8.694 1.00 1.28 C ATOM 837 O GLY A 53 6.231 -10.613 -8.373 1.00 1.54 O ATOM 0 H GLY A 53 6.108 -6.669 -9.180 1.00 1.32 H new ATOM 0 HA2 GLY A 53 7.813 -8.305 -8.964 1.00 1.33 H new ATOM 0 HA3 GLY A 53 7.375 -8.561 -7.286 1.00 1.33 H new ATOM 841 N LYS A 54 4.917 -9.112 -9.391 1.00 1.23 N ATOM 842 CA LYS A 54 3.886 -10.083 -9.724 1.00 1.46 C ATOM 843 C LYS A 54 2.971 -9.479 -10.785 1.00 1.35 C ATOM 844 O LYS A 54 2.891 -8.254 -10.880 1.00 1.17 O ATOM 845 CB LYS A 54 3.101 -10.481 -8.458 1.00 1.78 C ATOM 846 CG LYS A 54 2.544 -9.277 -7.683 1.00 2.14 C ATOM 847 CD LYS A 54 1.896 -9.670 -6.349 1.00 2.02 C ATOM 848 CE LYS A 54 0.799 -10.731 -6.503 1.00 3.09 C ATOM 849 NZ LYS A 54 0.126 -11.034 -5.227 1.00 3.38 N ATOM 0 H LYS A 54 4.731 -8.170 -9.734 1.00 1.23 H new ATOM 0 HA LYS A 54 4.337 -10.991 -10.124 1.00 1.46 H new ATOM 0 HB2 LYS A 54 2.276 -11.135 -8.741 1.00 1.78 H new ATOM 0 HB3 LYS A 54 3.753 -11.057 -7.801 1.00 1.78 H new ATOM 0 HG2 LYS A 54 3.351 -8.569 -7.494 1.00 2.14 H new ATOM 0 HG3 LYS A 54 1.807 -8.763 -8.301 1.00 2.14 H new ATOM 0 HD2 LYS A 54 2.665 -10.047 -5.675 1.00 2.02 H new ATOM 0 HD3 LYS A 54 1.471 -8.781 -5.883 1.00 2.02 H new ATOM 0 HE2 LYS A 54 0.061 -10.384 -7.226 1.00 3.09 H new ATOM 0 HE3 LYS A 54 1.235 -11.645 -6.906 1.00 3.09 H new ATOM 0 HZ1 LYS A 54 -0.606 -11.756 -5.384 1.00 3.38 H new ATOM 0 HZ2 LYS A 54 0.823 -11.391 -4.543 1.00 3.38 H new ATOM 0 HZ3 LYS A 54 -0.315 -10.169 -4.853 1.00 3.38 H new ATOM 863 N PRO A 55 2.265 -10.297 -11.579 1.00 1.53 N ATOM 864 CA PRO A 55 1.315 -9.823 -12.570 1.00 1.53 C ATOM 865 C PRO A 55 0.036 -9.328 -11.886 1.00 1.56 C ATOM 866 O PRO A 55 -1.041 -9.901 -12.068 1.00 1.89 O ATOM 867 CB PRO A 55 1.077 -11.027 -13.485 1.00 1.79 C ATOM 868 CG PRO A 55 1.221 -12.206 -12.522 1.00 1.95 C ATOM 869 CD PRO A 55 2.375 -11.745 -11.635 1.00 1.81 C ATOM 0 HA PRO A 55 1.678 -8.970 -13.143 1.00 1.53 H new ATOM 0 HB2 PRO A 55 0.090 -10.998 -13.946 1.00 1.79 H new ATOM 0 HB3 PRO A 55 1.806 -11.072 -14.294 1.00 1.79 H new ATOM 0 HG2 PRO A 55 0.310 -12.380 -11.950 1.00 1.95 H new ATOM 0 HG3 PRO A 55 1.452 -13.135 -13.044 1.00 1.95 H new ATOM 0 HD2 PRO A 55 2.304 -12.183 -10.639 1.00 1.81 H new ATOM 0 HD3 PRO A 55 3.336 -12.050 -12.050 1.00 1.81 H new ATOM 877 N VAL A 56 0.131 -8.263 -11.095 1.00 1.33 N ATOM 878 CA VAL A 56 -1.000 -7.674 -10.392 1.00 1.29 C ATOM 879 C VAL A 56 -1.620 -6.547 -11.198 1.00 1.16 C ATOM 880 O VAL A 56 -0.942 -5.844 -11.945 1.00 1.25 O ATOM 881 CB VAL A 56 -0.609 -7.236 -8.972 1.00 1.24 C ATOM 882 CG1 VAL A 56 0.609 -6.304 -8.920 1.00 1.25 C ATOM 883 CG2 VAL A 56 -1.736 -6.599 -8.158 1.00 1.62 C ATOM 0 H VAL A 56 1.012 -7.778 -10.923 1.00 1.33 H new ATOM 0 HA VAL A 56 -1.767 -8.441 -10.282 1.00 1.29 H new ATOM 0 HB VAL A 56 -0.354 -8.190 -8.510 1.00 1.24 H new ATOM 0 HG11 VAL A 56 0.821 -6.040 -7.884 1.00 1.25 H new ATOM 0 HG12 VAL A 56 1.473 -6.810 -9.350 1.00 1.25 H new ATOM 0 HG13 VAL A 56 0.399 -5.399 -9.489 1.00 1.25 H new ATOM 0 HG21 VAL A 56 -1.362 -6.324 -7.172 1.00 1.62 H new ATOM 0 HG22 VAL A 56 -2.096 -5.707 -8.671 1.00 1.62 H new ATOM 0 HG23 VAL A 56 -2.554 -7.311 -8.050 1.00 1.62 H new ATOM 893 N GLU A 57 -2.926 -6.417 -11.005 1.00 1.22 N ATOM 894 CA GLU A 57 -3.732 -5.269 -11.330 1.00 1.43 C ATOM 895 C GLU A 57 -4.555 -4.839 -10.111 1.00 1.09 C ATOM 896 O GLU A 57 -4.961 -3.681 -10.053 1.00 1.78 O ATOM 897 CB GLU A 57 -4.647 -5.592 -12.511 1.00 2.27 C ATOM 898 CG GLU A 57 -4.119 -4.979 -13.808 1.00 2.83 C ATOM 899 CD GLU A 57 -5.167 -4.935 -14.900 1.00 3.22 C ATOM 900 OE1 GLU A 57 -6.088 -5.779 -14.894 1.00 3.38 O ATOM 901 OE2 GLU A 57 -5.083 -4.020 -15.747 1.00 4.16 O ATOM 0 H GLU A 57 -3.478 -7.167 -10.589 1.00 1.22 H new ATOM 0 HA GLU A 57 -3.079 -4.443 -11.612 1.00 1.43 H new ATOM 0 HB2 GLU A 57 -4.729 -6.673 -12.625 1.00 2.27 H new ATOM 0 HB3 GLU A 57 -5.650 -5.215 -12.310 1.00 2.27 H new ATOM 0 HG2 GLU A 57 -3.764 -3.968 -13.609 1.00 2.83 H new ATOM 0 HG3 GLU A 57 -3.262 -5.555 -14.155 1.00 2.83 H new ATOM 908 N THR A 58 -4.707 -5.668 -9.075 1.00 0.83 N ATOM 909 CA THR A 58 -5.725 -5.427 -8.068 1.00 0.99 C ATOM 910 C THR A 58 -5.098 -4.419 -7.108 1.00 1.28 C ATOM 911 O THR A 58 -3.915 -4.508 -6.777 1.00 1.66 O ATOM 912 CB THR A 58 -6.028 -6.720 -7.275 1.00 1.20 C ATOM 913 OG1 THR A 58 -5.022 -7.700 -7.474 1.00 1.80 O ATOM 914 CG2 THR A 58 -7.382 -7.358 -7.585 1.00 1.15 C ATOM 0 H THR A 58 -4.141 -6.502 -8.918 1.00 0.83 H new ATOM 0 HA THR A 58 -6.653 -5.081 -8.522 1.00 0.99 H new ATOM 0 HB THR A 58 -6.051 -6.390 -6.237 1.00 1.20 H new ATOM 0 HG1 THR A 58 -5.242 -8.504 -6.958 1.00 1.80 H new ATOM 0 HG21 THR A 58 -7.507 -8.258 -6.983 1.00 1.15 H new ATOM 0 HG22 THR A 58 -8.179 -6.652 -7.351 1.00 1.15 H new ATOM 0 HG23 THR A 58 -7.427 -7.620 -8.642 1.00 1.15 H new ATOM 922 N VAL A 59 -5.858 -3.389 -6.774 1.00 1.18 N ATOM 923 CA VAL A 59 -5.384 -2.183 -6.127 1.00 1.14 C ATOM 924 C VAL A 59 -5.908 -2.184 -4.682 1.00 1.15 C ATOM 925 O VAL A 59 -6.870 -2.902 -4.389 1.00 1.30 O ATOM 926 CB VAL A 59 -5.842 -0.966 -6.963 1.00 1.28 C ATOM 927 CG1 VAL A 59 -5.872 -1.199 -8.481 1.00 1.75 C ATOM 928 CG2 VAL A 59 -7.193 -0.401 -6.518 1.00 1.53 C ATOM 0 H VAL A 59 -6.862 -3.373 -6.955 1.00 1.18 H new ATOM 0 HA VAL A 59 -4.297 -2.131 -6.074 1.00 1.14 H new ATOM 0 HB VAL A 59 -5.062 -0.232 -6.761 1.00 1.28 H new ATOM 0 HG11 VAL A 59 -6.205 -0.290 -8.982 1.00 1.75 H new ATOM 0 HG12 VAL A 59 -4.872 -1.459 -8.829 1.00 1.75 H new ATOM 0 HG13 VAL A 59 -6.560 -2.013 -8.711 1.00 1.75 H new ATOM 0 HG21 VAL A 59 -7.456 0.451 -7.145 1.00 1.53 H new ATOM 0 HG22 VAL A 59 -7.958 -1.171 -6.613 1.00 1.53 H new ATOM 0 HG23 VAL A 59 -7.128 -0.080 -5.478 1.00 1.53 H new ATOM 938 N PRO A 60 -5.352 -1.385 -3.764 1.00 1.05 N ATOM 939 CA PRO A 60 -4.250 -0.468 -3.968 1.00 0.90 C ATOM 940 C PRO A 60 -2.930 -1.215 -3.859 1.00 0.61 C ATOM 941 O PRO A 60 -2.900 -2.444 -3.836 1.00 0.57 O ATOM 942 CB PRO A 60 -4.429 0.594 -2.882 1.00 0.95 C ATOM 943 CG PRO A 60 -5.024 -0.199 -1.724 1.00 0.90 C ATOM 944 CD PRO A 60 -5.842 -1.292 -2.404 1.00 1.11 C ATOM 0 HA PRO A 60 -4.239 -0.007 -4.956 1.00 0.90 H new ATOM 0 HB2 PRO A 60 -3.480 1.057 -2.609 1.00 0.95 H new ATOM 0 HB3 PRO A 60 -5.093 1.395 -3.206 1.00 0.95 H new ATOM 0 HG2 PRO A 60 -4.246 -0.621 -1.088 1.00 0.90 H new ATOM 0 HG3 PRO A 60 -5.648 0.430 -1.089 1.00 0.90 H new ATOM 0 HD2 PRO A 60 -5.727 -2.243 -1.884 1.00 1.11 H new ATOM 0 HD3 PRO A 60 -6.904 -1.047 -2.390 1.00 1.11 H new ATOM 952 N GLN A 61 -1.842 -0.456 -3.813 1.00 0.72 N ATOM 953 CA GLN A 61 -0.502 -0.969 -3.660 1.00 0.64 C ATOM 954 C GLN A 61 0.166 -0.167 -2.551 1.00 0.67 C ATOM 955 O GLN A 61 0.620 0.949 -2.788 1.00 0.87 O ATOM 956 CB GLN A 61 0.220 -0.850 -5.013 1.00 1.00 C ATOM 957 CG GLN A 61 -0.035 -2.098 -5.867 1.00 0.92 C ATOM 958 CD GLN A 61 0.647 -3.313 -5.257 1.00 2.30 C ATOM 959 OE1 GLN A 61 1.449 -3.169 -4.342 1.00 3.80 O ATOM 960 NE2 GLN A 61 0.352 -4.511 -5.742 1.00 2.64 N ATOM 0 H GLN A 61 -1.877 0.561 -3.884 1.00 0.72 H new ATOM 0 HA GLN A 61 -0.479 -2.022 -3.378 1.00 0.64 H new ATOM 0 HB2 GLN A 61 -0.128 0.037 -5.541 1.00 1.00 H new ATOM 0 HB3 GLN A 61 1.291 -0.725 -4.851 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -1.107 -2.278 -5.947 1.00 0.92 H new ATOM 0 HG3 GLN A 61 0.337 -1.935 -6.879 1.00 0.92 H new ATOM 0 HE21 GLN A 61 -0.320 -4.601 -6.504 1.00 2.64 H new ATOM 0 HE22 GLN A 61 0.797 -5.342 -5.353 1.00 2.64 H new ATOM 969 N ILE A 62 0.176 -0.699 -1.333 1.00 0.55 N ATOM 970 CA ILE A 62 1.049 -0.201 -0.286 1.00 0.50 C ATOM 971 C ILE A 62 2.366 -0.985 -0.391 1.00 0.46 C ATOM 972 O ILE A 62 2.367 -2.205 -0.585 1.00 0.52 O ATOM 973 CB ILE A 62 0.351 -0.300 1.084 1.00 0.52 C ATOM 974 CG1 ILE A 62 -0.673 0.841 1.340 1.00 0.55 C ATOM 975 CG2 ILE A 62 1.363 -0.295 2.225 1.00 0.56 C ATOM 976 CD1 ILE A 62 -2.036 0.220 1.602 1.00 0.59 C ATOM 0 H ILE A 62 -0.416 -1.480 -1.050 1.00 0.55 H new ATOM 0 HA ILE A 62 1.277 0.859 -0.401 1.00 0.50 H new ATOM 0 HB ILE A 62 -0.189 -1.246 1.056 1.00 0.52 H new ATOM 0 HG12 ILE A 62 -0.362 1.444 2.193 1.00 0.55 H new ATOM 0 HG13 ILE A 62 -0.720 1.507 0.479 1.00 0.55 H new ATOM 0 HG21 ILE A 62 0.838 -0.366 3.177 1.00 0.56 H new ATOM 0 HG22 ILE A 62 2.036 -1.145 2.118 1.00 0.56 H new ATOM 0 HG23 ILE A 62 1.939 0.630 2.196 1.00 0.56 H new ATOM 0 HD11 ILE A 62 -2.766 1.009 1.784 1.00 0.59 H new ATOM 0 HD12 ILE A 62 -2.342 -0.365 0.735 1.00 0.59 H new ATOM 0 HD13 ILE A 62 -1.978 -0.429 2.476 1.00 0.59 H new ATOM 988 N PHE A 63 3.480 -0.263 -0.281 1.00 0.43 N ATOM 989 CA PHE A 63 4.831 -0.777 -0.166 1.00 0.44 C ATOM 990 C PHE A 63 5.325 -0.390 1.218 1.00 0.47 C ATOM 991 O PHE A 63 5.359 0.796 1.537 1.00 0.64 O ATOM 992 CB PHE A 63 5.746 -0.129 -1.213 1.00 0.49 C ATOM 993 CG PHE A 63 5.650 -0.746 -2.589 1.00 0.43 C ATOM 994 CD1 PHE A 63 4.484 -0.576 -3.355 1.00 1.89 C ATOM 995 CD2 PHE A 63 6.692 -1.563 -3.067 1.00 1.56 C ATOM 996 CE1 PHE A 63 4.345 -1.254 -4.575 1.00 1.93 C ATOM 997 CE2 PHE A 63 6.534 -2.267 -4.272 1.00 1.64 C ATOM 998 CZ PHE A 63 5.371 -2.088 -5.039 1.00 0.72 C ATOM 0 H PHE A 63 3.455 0.757 -0.270 1.00 0.43 H new ATOM 0 HA PHE A 63 4.842 -1.856 -0.322 1.00 0.44 H new ATOM 0 HB2 PHE A 63 5.503 0.931 -1.285 1.00 0.49 H new ATOM 0 HB3 PHE A 63 6.778 -0.196 -0.868 1.00 0.49 H new ATOM 0 HD1 PHE A 63 3.697 0.075 -3.005 1.00 1.89 H new ATOM 0 HD2 PHE A 63 7.612 -1.648 -2.508 1.00 1.56 H new ATOM 0 HE1 PHE A 63 3.444 -1.133 -5.159 1.00 1.93 H new ATOM 0 HE2 PHE A 63 7.305 -2.944 -4.608 1.00 1.64 H new ATOM 0 HZ PHE A 63 5.267 -2.594 -5.988 1.00 0.72 H new ATOM 1008 N VAL A 64 5.735 -1.359 2.026 1.00 0.44 N ATOM 1009 CA VAL A 64 6.340 -1.088 3.317 1.00 0.50 C ATOM 1010 C VAL A 64 7.838 -1.226 3.134 1.00 0.55 C ATOM 1011 O VAL A 64 8.282 -2.269 2.653 1.00 0.58 O ATOM 1012 CB VAL A 64 5.809 -2.047 4.389 1.00 0.60 C ATOM 1013 CG1 VAL A 64 6.631 -1.950 5.675 1.00 0.80 C ATOM 1014 CG2 VAL A 64 4.370 -1.675 4.735 1.00 0.74 C ATOM 0 H VAL A 64 5.656 -2.351 1.803 1.00 0.44 H new ATOM 0 HA VAL A 64 6.090 -0.085 3.663 1.00 0.50 H new ATOM 0 HB VAL A 64 5.873 -3.059 3.989 1.00 0.60 H new ATOM 0 HG11 VAL A 64 6.230 -2.642 6.416 1.00 0.80 H new ATOM 0 HG12 VAL A 64 7.669 -2.206 5.463 1.00 0.80 H new ATOM 0 HG13 VAL A 64 6.580 -0.933 6.063 1.00 0.80 H new ATOM 0 HG21 VAL A 64 3.991 -2.356 5.497 1.00 0.74 H new ATOM 0 HG22 VAL A 64 4.339 -0.653 5.114 1.00 0.74 H new ATOM 0 HG23 VAL A 64 3.750 -1.749 3.842 1.00 0.74 H new ATOM 1024 N ASP A 65 8.596 -0.200 3.524 1.00 0.63 N ATOM 1025 CA ASP A 65 10.052 -0.202 3.579 1.00 0.72 C ATOM 1026 C ASP A 65 10.643 -0.934 2.364 1.00 0.88 C ATOM 1027 O ASP A 65 11.118 -2.070 2.434 1.00 2.06 O ATOM 1028 CB ASP A 65 10.495 -0.734 4.943 1.00 0.92 C ATOM 1029 CG ASP A 65 11.972 -0.521 5.170 1.00 1.67 C ATOM 1030 OD1 ASP A 65 12.803 -1.185 4.523 1.00 2.93 O ATOM 1031 OD2 ASP A 65 12.317 0.320 6.023 1.00 2.44 O ATOM 0 H ASP A 65 8.193 0.689 3.821 1.00 0.63 H new ATOM 0 HA ASP A 65 10.452 0.809 3.501 1.00 0.72 H new ATOM 0 HB2 ASP A 65 9.930 -0.235 5.730 1.00 0.92 H new ATOM 0 HB3 ASP A 65 10.265 -1.797 5.011 1.00 0.92 H new ATOM 1036 N GLN A 66 10.498 -0.270 1.219 1.00 0.90 N ATOM 1037 CA GLN A 66 10.851 -0.679 -0.134 1.00 0.90 C ATOM 1038 C GLN A 66 10.469 -2.104 -0.559 1.00 0.87 C ATOM 1039 O GLN A 66 10.991 -2.568 -1.570 1.00 1.20 O ATOM 1040 CB GLN A 66 12.305 -0.303 -0.464 1.00 1.05 C ATOM 1041 CG GLN A 66 13.376 -1.031 0.363 1.00 2.66 C ATOM 1042 CD GLN A 66 14.763 -0.514 0.001 1.00 3.11 C ATOM 1043 OE1 GLN A 66 14.925 0.658 -0.324 1.00 3.43 O ATOM 1044 NE2 GLN A 66 15.798 -1.339 0.039 1.00 3.94 N ATOM 0 H GLN A 66 10.088 0.664 1.219 1.00 0.90 H new ATOM 0 HA GLN A 66 10.189 -0.092 -0.771 1.00 0.90 H new ATOM 0 HB2 GLN A 66 12.485 -0.506 -1.520 1.00 1.05 H new ATOM 0 HB3 GLN A 66 12.427 0.771 -0.321 1.00 1.05 H new ATOM 0 HG2 GLN A 66 13.190 -0.880 1.426 1.00 2.66 H new ATOM 0 HG3 GLN A 66 13.321 -2.104 0.179 1.00 2.66 H new ATOM 0 HE21 GLN A 66 15.664 -2.313 0.309 1.00 3.94 H new ATOM 0 HE22 GLN A 66 16.729 -1.000 -0.202 1.00 3.94 H new ATOM 1053 N GLN A 67 9.532 -2.777 0.112 1.00 0.73 N ATOM 1054 CA GLN A 67 8.992 -4.051 -0.326 1.00 0.78 C ATOM 1055 C GLN A 67 7.497 -3.888 -0.598 1.00 0.59 C ATOM 1056 O GLN A 67 6.772 -3.295 0.200 1.00 0.64 O ATOM 1057 CB GLN A 67 9.270 -5.114 0.742 1.00 0.89 C ATOM 1058 CG GLN A 67 8.280 -6.281 0.660 1.00 0.99 C ATOM 1059 CD GLN A 67 8.853 -7.575 1.204 1.00 1.33 C ATOM 1060 OE1 GLN A 67 8.750 -7.863 2.391 1.00 1.79 O ATOM 1061 NE2 GLN A 67 9.431 -8.385 0.333 1.00 2.60 N ATOM 0 H GLN A 67 9.126 -2.442 0.986 1.00 0.73 H new ATOM 0 HA GLN A 67 9.470 -4.378 -1.249 1.00 0.78 H new ATOM 0 HB2 GLN A 67 10.286 -5.491 0.623 1.00 0.89 H new ATOM 0 HB3 GLN A 67 9.213 -4.659 1.731 1.00 0.89 H new ATOM 0 HG2 GLN A 67 7.378 -6.026 1.216 1.00 0.99 H new ATOM 0 HG3 GLN A 67 7.984 -6.428 -0.379 1.00 0.99 H new ATOM 0 HE21 GLN A 67 9.500 -8.114 -0.648 1.00 2.60 H new ATOM 0 HE22 GLN A 67 9.808 -9.281 0.642 1.00 2.60 H new ATOM 1070 N HIS A 68 7.054 -4.450 -1.722 1.00 0.46 N ATOM 1071 CA HIS A 68 5.657 -4.675 -2.056 1.00 0.36 C ATOM 1072 C HIS A 68 4.958 -5.407 -0.916 1.00 0.41 C ATOM 1073 O HIS A 68 5.294 -6.558 -0.634 1.00 0.55 O ATOM 1074 CB HIS A 68 5.613 -5.539 -3.322 1.00 0.60 C ATOM 1075 CG HIS A 68 4.252 -6.095 -3.656 1.00 0.79 C ATOM 1076 ND1 HIS A 68 3.759 -7.324 -3.284 1.00 1.02 N ATOM 1077 CD2 HIS A 68 3.292 -5.479 -4.403 1.00 0.99 C ATOM 1078 CE1 HIS A 68 2.520 -7.435 -3.791 1.00 1.13 C ATOM 1079 NE2 HIS A 68 2.200 -6.348 -4.512 1.00 1.12 N ATOM 0 H HIS A 68 7.689 -4.773 -2.452 1.00 0.46 H new ATOM 0 HA HIS A 68 5.150 -3.724 -2.219 1.00 0.36 H new ATOM 0 HB2 HIS A 68 5.964 -4.944 -4.165 1.00 0.60 H new ATOM 0 HB3 HIS A 68 6.311 -6.368 -3.205 1.00 0.60 H new ATOM 0 HD1 HIS A 68 4.246 -8.024 -2.725 1.00 1.02 H new ATOM 0 HD2 HIS A 68 3.362 -4.492 -4.836 1.00 0.99 H new ATOM 0 HE1 HIS A 68 1.869 -8.283 -3.639 1.00 1.13 H new ATOM 1087 N ILE A 69 3.951 -4.783 -0.309 1.00 0.53 N ATOM 1088 CA ILE A 69 2.989 -5.519 0.482 1.00 0.64 C ATOM 1089 C ILE A 69 1.874 -5.946 -0.458 1.00 0.63 C ATOM 1090 O ILE A 69 1.736 -7.144 -0.708 1.00 0.75 O ATOM 1091 CB ILE A 69 2.530 -4.694 1.691 1.00 0.74 C ATOM 1092 CG1 ILE A 69 3.712 -4.418 2.634 1.00 0.72 C ATOM 1093 CG2 ILE A 69 1.407 -5.404 2.446 1.00 0.92 C ATOM 1094 CD1 ILE A 69 4.549 -5.654 2.977 1.00 0.72 C ATOM 0 H ILE A 69 3.787 -3.777 -0.354 1.00 0.53 H new ATOM 0 HA ILE A 69 3.421 -6.417 0.924 1.00 0.64 H new ATOM 0 HB ILE A 69 2.145 -3.743 1.322 1.00 0.74 H new ATOM 0 HG12 ILE A 69 4.360 -3.671 2.176 1.00 0.72 H new ATOM 0 HG13 ILE A 69 3.330 -3.985 3.558 1.00 0.72 H new ATOM 0 HG21 ILE A 69 1.101 -4.797 3.298 1.00 0.92 H new ATOM 0 HG22 ILE A 69 0.556 -5.550 1.780 1.00 0.92 H new ATOM 0 HG23 ILE A 69 1.762 -6.372 2.799 1.00 0.92 H new ATOM 0 HD11 ILE A 69 5.361 -5.369 3.646 1.00 0.72 H new ATOM 0 HD12 ILE A 69 3.918 -6.396 3.467 1.00 0.72 H new ATOM 0 HD13 ILE A 69 4.964 -6.077 2.062 1.00 0.72 H new ATOM 1106 N GLY A 70 1.133 -4.984 -1.007 1.00 0.59 N ATOM 1107 CA GLY A 70 0.015 -5.249 -1.898 1.00 0.63 C ATOM 1108 C GLY A 70 -1.214 -4.455 -1.469 1.00 0.56 C ATOM 1109 O GLY A 70 -1.098 -3.289 -1.083 1.00 0.93 O ATOM 0 H GLY A 70 1.297 -3.991 -0.841 1.00 0.59 H new ATOM 0 HA2 GLY A 70 0.287 -4.984 -2.920 1.00 0.63 H new ATOM 0 HA3 GLY A 70 -0.215 -6.315 -1.895 1.00 0.63 H new ATOM 1113 N GLY A 71 -2.390 -5.081 -1.548 1.00 0.52 N ATOM 1114 CA GLY A 71 -3.671 -4.436 -1.322 1.00 0.56 C ATOM 1115 C GLY A 71 -4.113 -4.545 0.133 1.00 0.47 C ATOM 1116 O GLY A 71 -3.338 -4.890 1.018 1.00 0.47 O ATOM 0 H GLY A 71 -2.473 -6.072 -1.776 1.00 0.52 H new ATOM 0 HA2 GLY A 71 -3.603 -3.385 -1.603 1.00 0.56 H new ATOM 0 HA3 GLY A 71 -4.425 -4.890 -1.965 1.00 0.56 H new ATOM 1120 N TYR A 72 -5.388 -4.243 0.393 1.00 0.52 N ATOM 1121 CA TYR A 72 -5.937 -4.163 1.745 1.00 0.47 C ATOM 1122 C TYR A 72 -5.765 -5.510 2.460 1.00 0.44 C ATOM 1123 O TYR A 72 -5.399 -5.569 3.632 1.00 0.50 O ATOM 1124 CB TYR A 72 -7.434 -3.801 1.649 1.00 0.61 C ATOM 1125 CG TYR A 72 -8.224 -3.984 2.930 1.00 0.57 C ATOM 1126 CD1 TYR A 72 -7.845 -3.233 4.053 1.00 2.02 C ATOM 1127 CD2 TYR A 72 -9.353 -4.825 3.007 1.00 2.55 C ATOM 1128 CE1 TYR A 72 -8.555 -3.343 5.253 1.00 2.22 C ATOM 1129 CE2 TYR A 72 -10.042 -4.961 4.227 1.00 2.48 C ATOM 1130 CZ TYR A 72 -9.585 -4.285 5.372 1.00 0.89 C ATOM 1131 OH TYR A 72 -10.079 -4.592 6.600 1.00 1.07 O ATOM 0 H TYR A 72 -6.072 -4.046 -0.337 1.00 0.52 H new ATOM 0 HA TYR A 72 -5.409 -3.399 2.316 1.00 0.47 H new ATOM 0 HB2 TYR A 72 -7.521 -2.762 1.332 1.00 0.61 H new ATOM 0 HB3 TYR A 72 -7.890 -4.411 0.869 1.00 0.61 H new ATOM 0 HD1 TYR A 72 -6.999 -2.565 3.990 1.00 2.02 H new ATOM 0 HD2 TYR A 72 -9.688 -5.363 2.133 1.00 2.55 H new ATOM 0 HE1 TYR A 72 -8.309 -2.702 6.087 1.00 2.22 H new ATOM 0 HE2 TYR A 72 -10.922 -5.585 4.283 1.00 2.48 H new ATOM 0 HH TYR A 72 -10.789 -5.261 6.509 1.00 1.07 H new ATOM 1141 N THR A 73 -6.049 -6.581 1.731 1.00 0.50 N ATOM 1142 CA THR A 73 -5.900 -7.962 2.143 1.00 0.62 C ATOM 1143 C THR A 73 -4.437 -8.250 2.484 1.00 0.55 C ATOM 1144 O THR A 73 -4.123 -8.649 3.601 1.00 0.57 O ATOM 1145 CB THR A 73 -6.407 -8.824 0.973 1.00 0.97 C ATOM 1146 OG1 THR A 73 -6.271 -8.085 -0.238 1.00 2.00 O ATOM 1147 CG2 THR A 73 -7.890 -9.139 1.177 1.00 1.14 C ATOM 0 H THR A 73 -6.411 -6.499 0.781 1.00 0.50 H new ATOM 0 HA THR A 73 -6.474 -8.186 3.042 1.00 0.62 H new ATOM 0 HB THR A 73 -5.830 -9.748 0.927 1.00 0.97 H new ATOM 0 HG1 THR A 73 -6.590 -8.627 -0.990 1.00 2.00 H new ATOM 0 HG21 THR A 73 -8.250 -9.749 0.349 1.00 1.14 H new ATOM 0 HG22 THR A 73 -8.021 -9.683 2.112 1.00 1.14 H new ATOM 0 HG23 THR A 73 -8.458 -8.209 1.216 1.00 1.14 H new ATOM 1155 N ASP A 74 -3.535 -8.021 1.528 1.00 0.58 N ATOM 1156 CA ASP A 74 -2.104 -8.250 1.710 1.00 0.63 C ATOM 1157 C ASP A 74 -1.584 -7.485 2.919 1.00 0.56 C ATOM 1158 O ASP A 74 -0.689 -7.941 3.627 1.00 0.67 O ATOM 1159 CB ASP A 74 -1.324 -7.781 0.482 1.00 0.75 C ATOM 1160 CG ASP A 74 -1.739 -8.497 -0.774 1.00 1.05 C ATOM 1161 OD1 ASP A 74 -1.395 -9.691 -0.905 1.00 2.44 O ATOM 1162 OD2 ASP A 74 -2.407 -7.869 -1.625 1.00 1.65 O ATOM 0 H ASP A 74 -3.780 -7.670 0.602 1.00 0.58 H new ATOM 0 HA ASP A 74 -1.962 -9.321 1.858 1.00 0.63 H new ATOM 0 HB2 ASP A 74 -1.471 -6.709 0.350 1.00 0.75 H new ATOM 0 HB3 ASP A 74 -0.259 -7.938 0.651 1.00 0.75 H new ATOM 1167 N PHE A 75 -2.116 -6.286 3.115 1.00 0.48 N ATOM 1168 CA PHE A 75 -1.762 -5.405 4.202 1.00 0.52 C ATOM 1169 C PHE A 75 -2.251 -6.009 5.517 1.00 0.52 C ATOM 1170 O PHE A 75 -1.468 -6.147 6.450 1.00 0.54 O ATOM 1171 CB PHE A 75 -2.375 -4.038 3.894 1.00 0.62 C ATOM 1172 CG PHE A 75 -2.228 -2.938 4.916 1.00 0.84 C ATOM 1173 CD1 PHE A 75 -1.291 -3.004 5.966 1.00 1.81 C ATOM 1174 CD2 PHE A 75 -2.873 -1.725 4.638 1.00 2.29 C ATOM 1175 CE1 PHE A 75 -1.027 -1.863 6.740 1.00 1.84 C ATOM 1176 CE2 PHE A 75 -2.480 -0.558 5.298 1.00 2.38 C ATOM 1177 CZ PHE A 75 -1.578 -0.631 6.362 1.00 1.15 C ATOM 0 H PHE A 75 -2.828 -5.894 2.498 1.00 0.48 H new ATOM 0 HA PHE A 75 -0.684 -5.280 4.306 1.00 0.52 H new ATOM 0 HB2 PHE A 75 -1.941 -3.683 2.959 1.00 0.62 H new ATOM 0 HB3 PHE A 75 -3.440 -4.185 3.715 1.00 0.62 H new ATOM 0 HD1 PHE A 75 -0.777 -3.930 6.175 1.00 1.81 H new ATOM 0 HD2 PHE A 75 -3.674 -1.692 3.914 1.00 2.29 H new ATOM 0 HE1 PHE A 75 -0.404 -1.934 7.620 1.00 1.84 H new ATOM 0 HE2 PHE A 75 -2.873 0.398 4.986 1.00 2.38 H new ATOM 0 HZ PHE A 75 -1.304 0.267 6.896 1.00 1.15 H new ATOM 1187 N ALA A 76 -3.524 -6.401 5.598 1.00 0.57 N ATOM 1188 CA ALA A 76 -4.043 -7.080 6.781 1.00 0.69 C ATOM 1189 C ALA A 76 -3.130 -8.259 7.117 1.00 0.66 C ATOM 1190 O ALA A 76 -2.708 -8.444 8.259 1.00 0.77 O ATOM 1191 CB ALA A 76 -5.480 -7.560 6.540 1.00 0.95 C ATOM 0 H ALA A 76 -4.212 -6.259 4.858 1.00 0.57 H new ATOM 0 HA ALA A 76 -4.061 -6.385 7.621 1.00 0.69 H new ATOM 0 HB1 ALA A 76 -5.850 -8.064 7.433 1.00 0.95 H new ATOM 0 HB2 ALA A 76 -6.117 -6.704 6.316 1.00 0.95 H new ATOM 0 HB3 ALA A 76 -5.496 -8.254 5.699 1.00 0.95 H new ATOM 1197 N ALA A 77 -2.794 -9.037 6.088 1.00 0.63 N ATOM 1198 CA ALA A 77 -1.879 -10.148 6.211 1.00 0.71 C ATOM 1199 C ALA A 77 -0.554 -9.698 6.821 1.00 0.64 C ATOM 1200 O ALA A 77 -0.152 -10.291 7.821 1.00 0.78 O ATOM 1201 CB ALA A 77 -1.706 -10.871 4.875 1.00 0.80 C ATOM 0 H ALA A 77 -3.157 -8.905 5.144 1.00 0.63 H new ATOM 0 HA ALA A 77 -2.307 -10.876 6.900 1.00 0.71 H new ATOM 0 HB1 ALA A 77 -1.012 -11.702 4.998 1.00 0.80 H new ATOM 0 HB2 ALA A 77 -2.671 -11.251 4.539 1.00 0.80 H new ATOM 0 HB3 ALA A 77 -1.312 -10.176 4.134 1.00 0.80 H new ATOM 1207 N TRP A 78 0.075 -8.660 6.255 1.00 0.53 N ATOM 1208 CA TRP A 78 1.360 -8.143 6.696 1.00 0.57 C ATOM 1209 C TRP A 78 1.291 -7.761 8.172 1.00 0.50 C ATOM 1210 O TRP A 78 2.150 -8.173 8.949 1.00 0.55 O ATOM 1211 CB TRP A 78 1.796 -6.934 5.857 1.00 0.65 C ATOM 1212 CG TRP A 78 3.077 -6.302 6.312 1.00 0.79 C ATOM 1213 CD1 TRP A 78 4.309 -6.748 5.979 1.00 0.95 C ATOM 1214 CD2 TRP A 78 3.297 -5.234 7.285 1.00 0.86 C ATOM 1215 NE1 TRP A 78 5.268 -6.023 6.649 1.00 1.07 N ATOM 1216 CE2 TRP A 78 4.701 -5.103 7.506 1.00 1.05 C ATOM 1217 CE3 TRP A 78 2.453 -4.397 8.047 1.00 0.86 C ATOM 1218 CZ2 TRP A 78 5.237 -4.216 8.451 1.00 1.21 C ATOM 1219 CZ3 TRP A 78 2.978 -3.506 9.000 1.00 1.07 C ATOM 1220 CH2 TRP A 78 4.366 -3.415 9.206 1.00 1.23 C ATOM 0 H TRP A 78 -0.311 -8.150 5.460 1.00 0.53 H new ATOM 0 HA TRP A 78 2.103 -8.929 6.561 1.00 0.57 H new ATOM 0 HB2 TRP A 78 1.907 -7.247 4.819 1.00 0.65 H new ATOM 0 HB3 TRP A 78 1.005 -6.184 5.881 1.00 0.65 H new ATOM 0 HD1 TRP A 78 4.511 -7.554 5.289 1.00 0.95 H new ATOM 0 HE1 TRP A 78 6.273 -6.150 6.527 1.00 1.07 H new ATOM 0 HE3 TRP A 78 1.385 -4.442 7.895 1.00 0.86 H new ATOM 0 HZ2 TRP A 78 6.305 -4.150 8.596 1.00 1.21 H new ATOM 0 HZ3 TRP A 78 2.309 -2.886 9.579 1.00 1.07 H new ATOM 0 HH2 TRP A 78 4.761 -2.731 9.943 1.00 1.23 H new ATOM 1231 N VAL A 79 0.288 -6.971 8.561 1.00 0.52 N ATOM 1232 CA VAL A 79 0.113 -6.539 9.943 1.00 0.59 C ATOM 1233 C VAL A 79 0.180 -7.768 10.845 1.00 0.63 C ATOM 1234 O VAL A 79 1.052 -7.862 11.714 1.00 0.73 O ATOM 1235 CB VAL A 79 -1.207 -5.764 10.112 1.00 0.77 C ATOM 1236 CG1 VAL A 79 -1.519 -5.503 11.589 1.00 0.92 C ATOM 1237 CG2 VAL A 79 -1.138 -4.409 9.398 1.00 0.88 C ATOM 0 H VAL A 79 -0.424 -6.614 7.924 1.00 0.52 H new ATOM 0 HA VAL A 79 0.910 -5.851 10.227 1.00 0.59 H new ATOM 0 HB VAL A 79 -1.991 -6.383 9.676 1.00 0.77 H new ATOM 0 HG11 VAL A 79 -2.457 -4.954 11.671 1.00 0.92 H new ATOM 0 HG12 VAL A 79 -1.607 -6.453 12.116 1.00 0.92 H new ATOM 0 HG13 VAL A 79 -0.715 -4.916 12.032 1.00 0.92 H new ATOM 0 HG21 VAL A 79 -2.081 -3.879 9.531 1.00 0.88 H new ATOM 0 HG22 VAL A 79 -0.326 -3.816 9.820 1.00 0.88 H new ATOM 0 HG23 VAL A 79 -0.957 -4.567 8.335 1.00 0.88 H new ATOM 1247 N LYS A 80 -0.684 -8.750 10.591 1.00 0.70 N ATOM 1248 CA LYS A 80 -0.699 -9.977 11.372 1.00 0.94 C ATOM 1249 C LYS A 80 0.306 -11.007 10.829 1.00 1.12 C ATOM 1250 O LYS A 80 0.063 -12.208 10.901 1.00 2.02 O ATOM 1251 CB LYS A 80 -2.146 -10.477 11.495 1.00 1.12 C ATOM 1252 CG LYS A 80 -2.763 -10.937 10.166 1.00 2.18 C ATOM 1253 CD LYS A 80 -2.954 -12.462 10.108 1.00 3.54 C ATOM 1254 CE LYS A 80 -2.676 -13.014 8.707 1.00 5.26 C ATOM 1255 NZ LYS A 80 -1.239 -12.932 8.370 1.00 6.66 N ATOM 0 H LYS A 80 -1.382 -8.715 9.848 1.00 0.70 H new ATOM 0 HA LYS A 80 -0.350 -9.787 12.387 1.00 0.94 H new ATOM 0 HB2 LYS A 80 -2.174 -11.305 12.203 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -2.761 -9.680 11.913 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -3.727 -10.447 10.026 1.00 2.18 H new ATOM 0 HG3 LYS A 80 -2.123 -10.622 9.342 1.00 2.18 H new ATOM 0 HD2 LYS A 80 -2.288 -12.940 10.826 1.00 3.54 H new ATOM 0 HD3 LYS A 80 -3.973 -12.713 10.402 1.00 3.54 H new ATOM 0 HE2 LYS A 80 -3.006 -14.051 8.651 1.00 5.26 H new ATOM 0 HE3 LYS A 80 -3.256 -12.455 7.972 1.00 5.26 H new ATOM 0 HZ1 LYS A 80 -1.068 -13.405 7.460 1.00 6.66 H new ATOM 0 HZ2 LYS A 80 -0.955 -11.934 8.300 1.00 6.66 H new ATOM 0 HZ3 LYS A 80 -0.681 -13.400 9.113 1.00 6.66 H new ATOM 1269 N GLU A 81 1.422 -10.547 10.266 1.00 0.92 N ATOM 1270 CA GLU A 81 2.640 -11.293 9.980 1.00 1.18 C ATOM 1271 C GLU A 81 3.844 -10.501 10.509 1.00 1.20 C ATOM 1272 O GLU A 81 4.982 -10.898 10.256 1.00 2.02 O ATOM 1273 CB GLU A 81 2.768 -11.526 8.457 1.00 1.39 C ATOM 1274 CG GLU A 81 2.015 -12.782 7.994 1.00 1.58 C ATOM 1275 CD GLU A 81 1.403 -12.682 6.606 1.00 2.11 C ATOM 1276 OE1 GLU A 81 1.916 -11.933 5.752 1.00 3.05 O ATOM 1277 OE2 GLU A 81 0.392 -13.386 6.390 1.00 2.80 O ATOM 0 H GLU A 81 1.501 -9.572 9.978 1.00 0.92 H new ATOM 0 HA GLU A 81 2.606 -12.265 10.472 1.00 1.18 H new ATOM 0 HB2 GLU A 81 2.382 -10.657 7.925 1.00 1.39 H new ATOM 0 HB3 GLU A 81 3.822 -11.619 8.193 1.00 1.39 H new ATOM 0 HG2 GLU A 81 2.702 -13.628 8.013 1.00 1.58 H new ATOM 0 HG3 GLU A 81 1.223 -12.999 8.711 1.00 1.58 H new ATOM 1284 N ASN A 82 3.636 -9.355 11.167 1.00 0.80 N ATOM 1285 CA ASN A 82 4.725 -8.474 11.568 1.00 0.97 C ATOM 1286 C ASN A 82 4.486 -7.993 12.979 1.00 1.08 C ATOM 1287 O ASN A 82 5.309 -8.218 13.862 1.00 1.34 O ATOM 1288 CB ASN A 82 4.864 -7.270 10.625 1.00 1.18 C ATOM 1289 CG ASN A 82 5.596 -7.674 9.361 1.00 1.34 C ATOM 1290 OD1 ASN A 82 6.770 -7.357 9.184 1.00 2.02 O ATOM 1291 ND2 ASN A 82 4.931 -8.415 8.486 1.00 1.15 N ATOM 0 H ASN A 82 2.711 -9.018 11.433 1.00 0.80 H new ATOM 0 HA ASN A 82 5.654 -9.042 11.516 1.00 0.97 H new ATOM 0 HB2 ASN A 82 3.877 -6.881 10.373 1.00 1.18 H new ATOM 0 HB3 ASN A 82 5.405 -6.467 11.126 1.00 1.18 H new ATOM 0 HD21 ASN A 82 5.393 -8.739 7.637 1.00 1.15 H new ATOM 0 HD22 ASN A 82 3.957 -8.661 8.662 1.00 1.15 H new ATOM 1298 N LEU A 83 3.365 -7.320 13.208 1.00 1.04 N ATOM 1299 CA LEU A 83 3.140 -6.652 14.472 1.00 1.24 C ATOM 1300 C LEU A 83 2.599 -7.694 15.444 1.00 1.41 C ATOM 1301 O LEU A 83 3.273 -8.054 16.411 1.00 1.82 O ATOM 1302 CB LEU A 83 2.214 -5.442 14.275 1.00 1.32 C ATOM 1303 CG LEU A 83 2.653 -4.490 13.147 1.00 1.04 C ATOM 1304 CD1 LEU A 83 1.776 -3.233 13.175 1.00 1.46 C ATOM 1305 CD2 LEU A 83 4.121 -4.066 13.273 1.00 1.38 C ATOM 0 H LEU A 83 2.604 -7.226 12.535 1.00 1.04 H new ATOM 0 HA LEU A 83 4.060 -6.242 14.889 1.00 1.24 H new ATOM 0 HB2 LEU A 83 1.207 -5.800 14.062 1.00 1.32 H new ATOM 0 HB3 LEU A 83 2.162 -4.882 15.209 1.00 1.32 H new ATOM 0 HG LEU A 83 2.540 -5.030 12.207 1.00 1.04 H new ATOM 0 HD11 LEU A 83 2.084 -2.557 12.378 1.00 1.46 H new ATOM 0 HD12 LEU A 83 0.733 -3.514 13.030 1.00 1.46 H new ATOM 0 HD13 LEU A 83 1.887 -2.733 14.137 1.00 1.46 H new ATOM 0 HD21 LEU A 83 4.378 -3.396 12.453 1.00 1.38 H new ATOM 0 HD22 LEU A 83 4.271 -3.552 14.222 1.00 1.38 H new ATOM 0 HD23 LEU A 83 4.759 -4.949 13.234 1.00 1.38 H new