USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 982 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 59 HIS : no HD1:sc= 0 K(o=0,f=-0.99) USER MOD Set 1.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 83 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 169:sc= 0.925 (180deg=1.01) USER MOD Set 2.2: A 50 MET CE :methyl -134:sc= -3.22 (180deg=-7.87!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 12:sc= 0.114 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 23:sc= 0.458 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= 0.338 (180deg=-0.127) USER MOD Single : A 15 GLN : amide:sc= -0.885 K(o=-0.89,f=-2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.384 (180deg=-1.58!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= -1.03! (180deg=-1.56!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.198 (180deg=-1.07) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc=-0.00639 (180deg=-0.0252) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.0454 X(o=0.045,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 69 HIS : no HD1:sc= 0.274 K(o=0.27,f=-1.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 55:sc= 1.09 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -165:sc= -2.5 (180deg=-3.98!) USER MOD Single : A 78 GLN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.2) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 6:sc= 1.22 USER MOD Single : A 92 CYS SG : rot 143:sc= 0.561 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 30:sc= -0.181 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot -120:sc= -0.0206 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.8!) USER MOD Single : A 112 SER OG : rot -60:sc= 0.426 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.3) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 30:sc= 0.441 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.640 4.666 15.092 1.00 0.00 N ATOM 2 CA GLY A 1 19.765 4.196 16.149 1.00 0.00 C ATOM 3 C GLY A 1 19.070 5.332 16.874 1.00 0.00 C ATOM 4 O GLY A 1 19.446 5.687 17.990 1.00 0.00 O ATOM 0 H1 GLY A 1 21.091 3.852 14.627 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.085 5.200 14.393 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.373 5.283 15.497 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.016 3.527 15.726 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.345 3.613 16.865 1.00 0.00 H new ATOM 8 N SER A 2 18.053 5.903 16.237 1.00 0.00 N ATOM 9 CA SER A 2 17.307 7.010 16.825 1.00 0.00 C ATOM 10 C SER A 2 15.837 6.948 16.423 1.00 0.00 C ATOM 11 O SER A 2 15.465 6.232 15.493 1.00 0.00 O ATOM 12 CB SER A 2 17.910 8.347 16.392 1.00 0.00 C ATOM 13 OG SER A 2 19.070 8.652 17.147 1.00 0.00 O ATOM 0 H SER A 2 17.726 5.618 15.314 1.00 0.00 H new ATOM 0 HA SER A 2 17.373 6.925 17.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.162 8.310 15.332 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.172 9.140 16.517 1.00 0.00 H new ATOM 0 HG SER A 2 19.346 7.862 17.656 1.00 0.00 H new ATOM 19 N SER A 3 15.004 7.704 17.131 1.00 0.00 N ATOM 20 CA SER A 3 13.573 7.734 16.852 1.00 0.00 C ATOM 21 C SER A 3 13.153 9.098 16.313 1.00 0.00 C ATOM 22 O SER A 3 12.946 10.042 17.075 1.00 0.00 O ATOM 23 CB SER A 3 12.778 7.405 18.117 1.00 0.00 C ATOM 24 OG SER A 3 11.550 6.775 17.799 1.00 0.00 O ATOM 0 H SER A 3 15.296 8.304 17.902 1.00 0.00 H new ATOM 0 HA SER A 3 13.360 6.982 16.092 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.368 6.754 18.762 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.586 8.320 18.678 1.00 0.00 H new ATOM 0 HG SER A 3 11.062 6.574 18.625 1.00 0.00 H new ATOM 30 N GLY A 4 13.027 9.193 14.993 1.00 0.00 N ATOM 31 CA GLY A 4 12.633 10.444 14.373 1.00 0.00 C ATOM 32 C GLY A 4 13.047 10.526 12.918 1.00 0.00 C ATOM 33 O GLY A 4 14.238 10.529 12.604 1.00 0.00 O ATOM 0 H GLY A 4 13.191 8.425 14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.551 10.557 14.447 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.079 11.274 14.922 1.00 0.00 H new ATOM 37 N SER A 5 12.063 10.592 12.026 1.00 0.00 N ATOM 38 CA SER A 5 12.332 10.669 10.595 1.00 0.00 C ATOM 39 C SER A 5 13.469 9.730 10.205 1.00 0.00 C ATOM 40 O SER A 5 14.251 10.025 9.301 1.00 0.00 O ATOM 41 CB SER A 5 12.682 12.104 10.197 1.00 0.00 C ATOM 42 OG SER A 5 13.696 12.633 11.034 1.00 0.00 O ATOM 0 H SER A 5 11.072 10.594 12.269 1.00 0.00 H new ATOM 0 HA SER A 5 11.431 10.361 10.064 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.015 12.126 9.159 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.792 12.729 10.260 1.00 0.00 H new ATOM 0 HG SER A 5 14.203 11.898 11.438 1.00 0.00 H new ATOM 48 N SER A 6 13.554 8.596 10.893 1.00 0.00 N ATOM 49 CA SER A 6 14.597 7.613 10.622 1.00 0.00 C ATOM 50 C SER A 6 14.090 6.530 9.675 1.00 0.00 C ATOM 51 O SER A 6 13.288 5.680 10.058 1.00 0.00 O ATOM 52 CB SER A 6 15.082 6.979 11.927 1.00 0.00 C ATOM 53 OG SER A 6 16.263 6.225 11.720 1.00 0.00 O ATOM 0 H SER A 6 12.913 8.335 11.642 1.00 0.00 H new ATOM 0 HA SER A 6 15.431 8.127 10.145 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.269 7.758 12.666 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.302 6.335 12.334 1.00 0.00 H new ATOM 0 HG SER A 6 16.553 5.832 12.569 1.00 0.00 H new ATOM 59 N GLY A 7 14.566 6.568 8.433 1.00 0.00 N ATOM 60 CA GLY A 7 14.150 5.586 7.450 1.00 0.00 C ATOM 61 C GLY A 7 14.320 6.081 6.027 1.00 0.00 C ATOM 62 O GLY A 7 14.022 7.238 5.726 1.00 0.00 O ATOM 0 H GLY A 7 15.232 7.261 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.730 4.673 7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.105 5.328 7.619 1.00 0.00 H new ATOM 66 N ILE A 8 14.803 5.207 5.151 1.00 0.00 N ATOM 67 CA ILE A 8 15.013 5.563 3.753 1.00 0.00 C ATOM 68 C ILE A 8 14.229 4.639 2.827 1.00 0.00 C ATOM 69 O ILE A 8 14.055 4.931 1.643 1.00 0.00 O ATOM 70 CB ILE A 8 16.505 5.505 3.376 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.026 4.071 3.486 1.00 0.00 C ATOM 72 CG2 ILE A 8 17.312 6.439 4.265 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.776 3.240 2.247 1.00 0.00 C ATOM 0 H ILE A 8 15.056 4.247 5.384 1.00 0.00 H new ATOM 0 HA ILE A 8 14.655 6.585 3.630 1.00 0.00 H new ATOM 0 HB ILE A 8 16.617 5.833 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.097 4.097 3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.554 3.586 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 8 18.365 6.387 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.953 7.461 4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 8 17.197 6.139 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.172 2.235 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.704 3.183 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 8 17.272 3.702 1.393 1.00 0.00 H new ATOM 85 N LEU A 9 13.757 3.524 3.374 1.00 0.00 N ATOM 86 CA LEU A 9 12.989 2.557 2.597 1.00 0.00 C ATOM 87 C LEU A 9 11.669 3.160 2.129 1.00 0.00 C ATOM 88 O LEU A 9 11.404 4.343 2.343 1.00 0.00 O ATOM 89 CB LEU A 9 12.723 1.301 3.429 1.00 0.00 C ATOM 90 CG LEU A 9 13.959 0.526 3.889 1.00 0.00 C ATOM 91 CD1 LEU A 9 13.618 -0.368 5.072 1.00 0.00 C ATOM 92 CD2 LEU A 9 14.530 -0.296 2.743 1.00 0.00 C ATOM 0 H LEU A 9 13.892 3.267 4.352 1.00 0.00 H new ATOM 0 HA LEU A 9 13.575 2.286 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.150 1.588 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.094 0.629 2.845 1.00 0.00 H new ATOM 0 HG LEU A 9 14.716 1.242 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.509 -0.912 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.257 0.244 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.844 -1.078 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.409 -0.841 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.779 -1.004 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.812 0.367 1.925 1.00 0.00 H new ATOM 104 N PHE A 10 10.843 2.338 1.490 1.00 0.00 N ATOM 105 CA PHE A 10 9.549 2.789 0.992 1.00 0.00 C ATOM 106 C PHE A 10 9.632 4.226 0.485 1.00 0.00 C ATOM 107 O PHE A 10 8.862 5.090 0.905 1.00 0.00 O ATOM 108 CB PHE A 10 8.491 2.686 2.093 1.00 0.00 C ATOM 109 CG PHE A 10 7.131 2.302 1.583 1.00 0.00 C ATOM 110 CD1 PHE A 10 6.969 1.188 0.776 1.00 0.00 C ATOM 111 CD2 PHE A 10 6.015 3.055 1.912 1.00 0.00 C ATOM 112 CE1 PHE A 10 5.719 0.833 0.305 1.00 0.00 C ATOM 113 CE2 PHE A 10 4.763 2.705 1.444 1.00 0.00 C ATOM 114 CZ PHE A 10 4.614 1.591 0.641 1.00 0.00 C ATOM 0 H PHE A 10 11.047 1.356 1.305 1.00 0.00 H new ATOM 0 HA PHE A 10 9.263 2.144 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.815 1.951 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.420 3.644 2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.829 0.590 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.125 3.926 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.606 -0.037 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.902 3.302 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.636 1.313 0.277 1.00 0.00 H new ATOM 124 N ILE A 11 10.573 4.473 -0.421 1.00 0.00 N ATOM 125 CA ILE A 11 10.757 5.804 -0.986 1.00 0.00 C ATOM 126 C ILE A 11 9.427 6.400 -1.435 1.00 0.00 C ATOM 127 O ILE A 11 9.174 7.589 -1.247 1.00 0.00 O ATOM 128 CB ILE A 11 11.725 5.778 -2.184 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.188 7.196 -2.525 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.060 5.128 -3.388 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.567 7.249 -3.143 1.00 0.00 C ATOM 0 H ILE A 11 11.219 3.769 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 11 11.183 6.425 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 11 12.599 5.186 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.473 7.647 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 11 12.182 7.800 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.756 5.117 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.776 4.106 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.171 5.695 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.830 8.285 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.293 6.827 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.573 6.673 -4.068 1.00 0.00 H new ATOM 143 N GLU A 12 8.580 5.564 -2.026 1.00 0.00 N ATOM 144 CA GLU A 12 7.274 6.008 -2.501 1.00 0.00 C ATOM 145 C GLU A 12 6.161 5.490 -1.595 1.00 0.00 C ATOM 146 O GLU A 12 6.157 4.324 -1.201 1.00 0.00 O ATOM 147 CB GLU A 12 7.040 5.535 -3.937 1.00 0.00 C ATOM 148 CG GLU A 12 6.134 6.453 -4.740 1.00 0.00 C ATOM 149 CD GLU A 12 6.890 7.596 -5.390 1.00 0.00 C ATOM 150 OE1 GLU A 12 8.042 7.375 -5.821 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.332 8.710 -5.468 1.00 0.00 O ATOM 0 H GLU A 12 8.774 4.576 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 12 7.259 7.098 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.001 5.452 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.604 4.536 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.627 5.873 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.362 6.858 -4.086 1.00 0.00 H new ATOM 158 N LYS A 13 5.217 6.366 -1.267 1.00 0.00 N ATOM 159 CA LYS A 13 4.097 5.999 -0.409 1.00 0.00 C ATOM 160 C LYS A 13 2.767 6.249 -1.113 1.00 0.00 C ATOM 161 O LYS A 13 2.498 7.341 -1.614 1.00 0.00 O ATOM 162 CB LYS A 13 4.150 6.791 0.900 1.00 0.00 C ATOM 163 CG LYS A 13 5.383 6.500 1.737 1.00 0.00 C ATOM 164 CD LYS A 13 5.790 7.705 2.568 1.00 0.00 C ATOM 165 CE LYS A 13 6.535 8.734 1.732 1.00 0.00 C ATOM 166 NZ LYS A 13 7.909 8.277 1.385 1.00 0.00 N ATOM 0 H LYS A 13 5.206 7.336 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 13 4.176 4.935 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.119 7.856 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.260 6.565 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.186 5.653 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.207 6.212 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.903 8.163 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.421 7.381 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.976 8.932 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.593 9.674 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.598 9.005 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.118 7.392 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.972 8.115 0.360 1.00 0.00 H new ATOM 180 N PRO A 14 1.914 5.215 -1.153 1.00 0.00 N ATOM 181 CA PRO A 14 0.597 5.299 -1.791 1.00 0.00 C ATOM 182 C PRO A 14 -0.367 6.191 -1.017 1.00 0.00 C ATOM 183 O PRO A 14 -0.894 5.795 0.023 1.00 0.00 O ATOM 184 CB PRO A 14 0.106 3.849 -1.785 1.00 0.00 C ATOM 185 CG PRO A 14 0.826 3.211 -0.647 1.00 0.00 C ATOM 186 CD PRO A 14 2.169 3.884 -0.577 1.00 0.00 C ATOM 0 HA PRO A 14 0.654 5.740 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.974 3.797 -1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.333 3.350 -2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.276 3.341 0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.935 2.138 -0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.531 3.953 0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.922 3.338 -1.145 1.00 0.00 H new ATOM 194 N GLN A 15 -0.593 7.396 -1.530 1.00 0.00 N ATOM 195 CA GLN A 15 -1.494 8.344 -0.885 1.00 0.00 C ATOM 196 C GLN A 15 -2.948 8.027 -1.219 1.00 0.00 C ATOM 197 O GLN A 15 -3.735 8.922 -1.522 1.00 0.00 O ATOM 198 CB GLN A 15 -1.159 9.773 -1.316 1.00 0.00 C ATOM 199 CG GLN A 15 0.245 10.211 -0.932 1.00 0.00 C ATOM 200 CD GLN A 15 0.646 9.737 0.451 1.00 0.00 C ATOM 201 OE1 GLN A 15 -0.173 9.701 1.370 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.912 9.369 0.606 1.00 0.00 N ATOM 0 H GLN A 15 -0.165 7.739 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.361 8.257 0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.273 9.854 -2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.879 10.457 -0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.955 9.826 -1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.306 11.299 -0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.557 9.415 -0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.240 9.040 1.514 1.00 0.00 H new ATOM 211 N GLY A 16 -3.297 6.745 -1.163 1.00 0.00 N ATOM 212 CA GLY A 16 -4.656 6.333 -1.462 1.00 0.00 C ATOM 213 C GLY A 16 -5.223 7.041 -2.677 1.00 0.00 C ATOM 214 O GLY A 16 -4.488 7.676 -3.432 1.00 0.00 O ATOM 0 H GLY A 16 -2.663 5.985 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.677 5.256 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.291 6.533 -0.599 1.00 0.00 H new ATOM 218 N GLY A 17 -6.534 6.931 -2.866 1.00 0.00 N ATOM 219 CA GLY A 17 -7.176 7.570 -4.000 1.00 0.00 C ATOM 220 C GLY A 17 -8.686 7.449 -3.955 1.00 0.00 C ATOM 221 O GLY A 17 -9.266 7.194 -2.899 1.00 0.00 O ATOM 0 H GLY A 17 -7.163 6.411 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.900 8.624 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.806 7.123 -4.923 1.00 0.00 H new ATOM 225 N THR A 18 -9.328 7.635 -5.105 1.00 0.00 N ATOM 226 CA THR A 18 -10.780 7.548 -5.192 1.00 0.00 C ATOM 227 C THR A 18 -11.212 6.821 -6.461 1.00 0.00 C ATOM 228 O THR A 18 -11.036 7.328 -7.569 1.00 0.00 O ATOM 229 CB THR A 18 -11.429 8.945 -5.168 1.00 0.00 C ATOM 230 OG1 THR A 18 -10.799 9.760 -4.173 1.00 0.00 O ATOM 231 CG2 THR A 18 -12.919 8.844 -4.880 1.00 0.00 C ATOM 0 H THR A 18 -8.864 7.847 -5.989 1.00 0.00 H new ATOM 0 HA THR A 18 -11.116 6.985 -4.321 1.00 0.00 H new ATOM 0 HB THR A 18 -11.295 9.401 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.216 10.647 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.356 9.843 -4.868 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.400 8.247 -5.655 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.071 8.370 -3.910 1.00 0.00 H new ATOM 239 N VAL A 19 -11.779 5.631 -6.292 1.00 0.00 N ATOM 240 CA VAL A 19 -12.238 4.835 -7.424 1.00 0.00 C ATOM 241 C VAL A 19 -13.755 4.687 -7.412 1.00 0.00 C ATOM 242 O VAL A 19 -14.366 4.518 -6.356 1.00 0.00 O ATOM 243 CB VAL A 19 -11.596 3.435 -7.423 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.105 2.615 -6.247 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.870 2.723 -8.739 1.00 0.00 C ATOM 0 H VAL A 19 -11.932 5.197 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.935 5.364 -8.327 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.517 3.549 -7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.641 1.629 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.853 3.120 -5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.187 2.507 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.409 1.735 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.946 2.619 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.451 3.304 -9.561 1.00 0.00 H new ATOM 255 N LYS A 20 -14.359 4.749 -8.594 1.00 0.00 N ATOM 256 CA LYS A 20 -15.806 4.620 -8.721 1.00 0.00 C ATOM 257 C LYS A 20 -16.243 3.172 -8.521 1.00 0.00 C ATOM 258 O LYS A 20 -15.476 2.242 -8.770 1.00 0.00 O ATOM 259 CB LYS A 20 -16.264 5.117 -10.095 1.00 0.00 C ATOM 260 CG LYS A 20 -17.735 5.489 -10.147 1.00 0.00 C ATOM 261 CD LYS A 20 -18.025 6.736 -9.329 1.00 0.00 C ATOM 262 CE LYS A 20 -17.482 7.985 -10.006 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.486 8.605 -10.914 1.00 0.00 N ATOM 0 H LYS A 20 -13.869 4.888 -9.478 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.270 5.231 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.668 5.986 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.067 4.343 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.033 5.655 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.334 4.659 -9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.101 6.837 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.580 6.635 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.183 8.708 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.587 7.730 -10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.077 9.453 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.753 7.924 -11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.330 8.872 -10.368 1.00 0.00 H new ATOM 277 N VAL A 21 -17.480 2.989 -8.072 1.00 0.00 N ATOM 278 CA VAL A 21 -18.020 1.654 -7.842 1.00 0.00 C ATOM 279 C VAL A 21 -18.055 0.845 -9.133 1.00 0.00 C ATOM 280 O VAL A 21 -18.743 1.207 -10.086 1.00 0.00 O ATOM 281 CB VAL A 21 -19.441 1.718 -7.250 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.054 0.328 -7.183 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.415 2.365 -5.873 1.00 0.00 C ATOM 0 H VAL A 21 -18.127 3.748 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.358 1.164 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.061 2.332 -7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.057 0.393 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.108 -0.095 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.437 -0.312 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.427 2.402 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.780 1.780 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.019 3.377 -5.954 1.00 0.00 H new ATOM 293 N GLY A 22 -17.307 -0.254 -9.157 1.00 0.00 N ATOM 294 CA GLY A 22 -17.267 -1.099 -10.336 1.00 0.00 C ATOM 295 C GLY A 22 -16.079 -0.795 -11.227 1.00 0.00 C ATOM 296 O GLY A 22 -15.864 -1.465 -12.236 1.00 0.00 O ATOM 0 H GLY A 22 -16.728 -0.574 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.229 -2.144 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.187 -0.967 -10.905 1.00 0.00 H new ATOM 300 N GLU A 23 -15.305 0.220 -10.853 1.00 0.00 N ATOM 301 CA GLU A 23 -14.134 0.612 -11.627 1.00 0.00 C ATOM 302 C GLU A 23 -12.896 -0.153 -11.167 1.00 0.00 C ATOM 303 O GLU A 23 -12.968 -0.984 -10.261 1.00 0.00 O ATOM 304 CB GLU A 23 -13.892 2.117 -11.502 1.00 0.00 C ATOM 305 CG GLU A 23 -14.707 2.948 -12.480 1.00 0.00 C ATOM 306 CD GLU A 23 -14.355 4.422 -12.428 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.870 4.880 -11.373 1.00 0.00 O ATOM 308 OE2 GLU A 23 -14.563 5.117 -13.445 1.00 0.00 O ATOM 0 H GLU A 23 -15.468 0.785 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.324 0.368 -12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.129 2.431 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.833 2.321 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.545 2.575 -13.491 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.767 2.824 -12.261 1.00 0.00 H new ATOM 315 N ASP A 24 -11.762 0.135 -11.796 1.00 0.00 N ATOM 316 CA ASP A 24 -10.508 -0.525 -11.451 1.00 0.00 C ATOM 317 C ASP A 24 -9.432 0.501 -11.105 1.00 0.00 C ATOM 318 O ASP A 24 -9.137 1.396 -11.897 1.00 0.00 O ATOM 319 CB ASP A 24 -10.036 -1.407 -12.608 1.00 0.00 C ATOM 320 CG ASP A 24 -9.586 -0.596 -13.808 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.375 0.246 -14.284 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.445 -0.805 -14.272 1.00 0.00 O ATOM 0 H ASP A 24 -11.685 0.821 -12.547 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.683 -1.151 -10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.213 -2.036 -12.269 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.845 -2.074 -12.906 1.00 0.00 H new ATOM 327 N ILE A 25 -8.852 0.364 -9.918 1.00 0.00 N ATOM 328 CA ILE A 25 -7.810 1.278 -9.467 1.00 0.00 C ATOM 329 C ILE A 25 -6.532 0.524 -9.114 1.00 0.00 C ATOM 330 O ILE A 25 -6.575 -0.642 -8.719 1.00 0.00 O ATOM 331 CB ILE A 25 -8.267 2.094 -8.244 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.098 2.902 -7.677 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.846 1.173 -7.180 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.526 4.001 -6.729 1.00 0.00 C ATOM 0 H ILE A 25 -9.086 -0.371 -9.251 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.610 1.960 -10.293 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.046 2.789 -8.559 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.420 2.227 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.538 3.342 -8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.165 1.764 -6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.702 0.637 -7.590 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.086 0.457 -6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.646 4.532 -6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.180 4.698 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.061 3.566 -5.885 1.00 0.00 H new ATOM 346 N THR A 26 -5.395 1.198 -9.256 1.00 0.00 N ATOM 347 CA THR A 26 -4.105 0.593 -8.951 1.00 0.00 C ATOM 348 C THR A 26 -3.191 1.579 -8.233 1.00 0.00 C ATOM 349 O THR A 26 -3.015 2.714 -8.677 1.00 0.00 O ATOM 350 CB THR A 26 -3.402 0.095 -10.228 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.324 -0.640 -11.040 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.211 -0.785 -9.882 1.00 0.00 C ATOM 0 H THR A 26 -5.342 2.164 -9.580 1.00 0.00 H new ATOM 0 HA THR A 26 -4.301 -0.257 -8.298 1.00 0.00 H new ATOM 0 HB THR A 26 -3.044 0.963 -10.781 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.870 -0.952 -11.850 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.731 -1.125 -10.800 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.497 -0.214 -9.289 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.551 -1.648 -9.309 1.00 0.00 H new ATOM 360 N PHE A 27 -2.610 1.139 -7.122 1.00 0.00 N ATOM 361 CA PHE A 27 -1.713 1.984 -6.342 1.00 0.00 C ATOM 362 C PHE A 27 -0.255 1.674 -6.665 1.00 0.00 C ATOM 363 O PHE A 27 0.076 0.566 -7.088 1.00 0.00 O ATOM 364 CB PHE A 27 -1.968 1.790 -4.845 1.00 0.00 C ATOM 365 CG PHE A 27 -3.411 1.938 -4.459 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.300 0.889 -4.633 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.880 3.126 -3.921 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.629 1.022 -4.278 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.208 3.264 -3.564 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.084 2.212 -3.743 1.00 0.00 C ATOM 0 H PHE A 27 -2.744 0.202 -6.741 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.912 3.023 -6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.621 0.799 -4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.375 2.514 -4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.950 -0.043 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.200 3.953 -3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.311 0.197 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.561 4.195 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.122 2.319 -3.466 1.00 0.00 H new ATOM 380 N ILE A 28 0.612 2.661 -6.465 1.00 0.00 N ATOM 381 CA ILE A 28 2.035 2.494 -6.735 1.00 0.00 C ATOM 382 C ILE A 28 2.853 2.591 -5.452 1.00 0.00 C ATOM 383 O ILE A 28 2.604 3.452 -4.609 1.00 0.00 O ATOM 384 CB ILE A 28 2.545 3.546 -7.737 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.858 3.368 -9.092 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.056 3.447 -7.886 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.058 1.995 -9.695 1.00 0.00 C ATOM 0 H ILE A 28 0.354 3.584 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 28 2.160 1.502 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 28 2.301 4.537 -7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.790 3.553 -8.976 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.238 4.119 -9.784 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.401 4.197 -8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.529 3.619 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.322 2.454 -8.248 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.544 1.941 -10.654 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.123 1.814 -9.843 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.652 1.240 -9.022 1.00 0.00 H new ATOM 399 N ALA A 29 3.831 1.702 -5.311 1.00 0.00 N ATOM 400 CA ALA A 29 4.689 1.690 -4.133 1.00 0.00 C ATOM 401 C ALA A 29 6.088 1.192 -4.478 1.00 0.00 C ATOM 402 O ALA A 29 6.248 0.165 -5.138 1.00 0.00 O ATOM 403 CB ALA A 29 4.073 0.828 -3.041 1.00 0.00 C ATOM 0 H ALA A 29 4.049 0.981 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 29 4.777 2.713 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.724 0.828 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.098 1.230 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.955 -0.192 -3.406 1.00 0.00 H new ATOM 409 N LYS A 30 7.100 1.925 -4.027 1.00 0.00 N ATOM 410 CA LYS A 30 8.487 1.558 -4.287 1.00 0.00 C ATOM 411 C LYS A 30 9.220 1.245 -2.987 1.00 0.00 C ATOM 412 O LYS A 30 8.790 1.651 -1.907 1.00 0.00 O ATOM 413 CB LYS A 30 9.205 2.688 -5.030 1.00 0.00 C ATOM 414 CG LYS A 30 9.203 2.521 -6.539 1.00 0.00 C ATOM 415 CD LYS A 30 7.790 2.522 -7.098 1.00 0.00 C ATOM 416 CE LYS A 30 7.339 3.926 -7.470 1.00 0.00 C ATOM 417 NZ LYS A 30 8.353 4.633 -8.299 1.00 0.00 N ATOM 0 H LYS A 30 6.986 2.778 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 30 8.489 0.663 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.731 3.636 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.236 2.744 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.777 3.327 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.699 1.587 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.745 1.879 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.106 2.102 -6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.397 3.872 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.149 4.499 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.882 5.353 -8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.050 5.093 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.836 3.948 -8.915 1.00 0.00 H new ATOM 431 N VAL A 31 10.329 0.521 -3.097 1.00 0.00 N ATOM 432 CA VAL A 31 11.123 0.155 -1.930 1.00 0.00 C ATOM 433 C VAL A 31 12.613 0.173 -2.252 1.00 0.00 C ATOM 434 O VAL A 31 13.061 -0.462 -3.207 1.00 0.00 O ATOM 435 CB VAL A 31 10.739 -1.241 -1.405 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.374 -1.494 -0.046 1.00 0.00 C ATOM 437 CG2 VAL A 31 9.226 -1.384 -1.330 1.00 0.00 C ATOM 0 H VAL A 31 10.698 0.176 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 31 10.912 0.895 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 31 11.118 -1.989 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.091 -2.485 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.459 -1.436 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.027 -0.742 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.972 -2.376 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.822 -0.629 -0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.798 -1.249 -2.323 1.00 0.00 H new ATOM 447 N LYS A 32 13.378 0.903 -1.447 1.00 0.00 N ATOM 448 CA LYS A 32 14.819 1.004 -1.644 1.00 0.00 C ATOM 449 C LYS A 32 15.521 -0.268 -1.179 1.00 0.00 C ATOM 450 O LYS A 32 15.528 -0.586 0.010 1.00 0.00 O ATOM 451 CB LYS A 32 15.375 2.211 -0.886 1.00 0.00 C ATOM 452 CG LYS A 32 16.751 2.645 -1.359 1.00 0.00 C ATOM 453 CD LYS A 32 16.662 3.567 -2.564 1.00 0.00 C ATOM 454 CE LYS A 32 17.882 3.429 -3.463 1.00 0.00 C ATOM 455 NZ LYS A 32 18.977 4.353 -3.056 1.00 0.00 N ATOM 0 H LYS A 32 13.023 1.434 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 32 15.007 1.134 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.683 3.047 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.424 1.971 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.272 3.154 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.343 1.766 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.761 3.337 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.572 4.600 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.243 2.401 -3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.598 3.634 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.790 4.229 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.641 5.336 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.266 4.140 -2.080 1.00 0.00 H new ATOM 469 N ALA A 33 16.112 -0.992 -2.124 1.00 0.00 N ATOM 470 CA ALA A 33 16.819 -2.227 -1.811 1.00 0.00 C ATOM 471 C ALA A 33 18.293 -2.127 -2.191 1.00 0.00 C ATOM 472 O ALA A 33 18.674 -1.301 -3.020 1.00 0.00 O ATOM 473 CB ALA A 33 16.167 -3.404 -2.521 1.00 0.00 C ATOM 0 H ALA A 33 16.115 -0.744 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 33 16.758 -2.388 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.706 -4.320 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.131 -3.496 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.197 -3.241 -3.598 1.00 0.00 H new ATOM 479 N GLU A 34 19.116 -2.974 -1.580 1.00 0.00 N ATOM 480 CA GLU A 34 20.548 -2.979 -1.855 1.00 0.00 C ATOM 481 C GLU A 34 20.985 -4.318 -2.441 1.00 0.00 C ATOM 482 O GLU A 34 21.812 -4.369 -3.351 1.00 0.00 O ATOM 483 CB GLU A 34 21.336 -2.687 -0.576 1.00 0.00 C ATOM 484 CG GLU A 34 20.827 -1.478 0.190 1.00 0.00 C ATOM 485 CD GLU A 34 21.302 -1.457 1.630 1.00 0.00 C ATOM 486 OE1 GLU A 34 22.468 -1.834 1.875 1.00 0.00 O ATOM 487 OE2 GLU A 34 20.509 -1.066 2.511 1.00 0.00 O ATOM 0 H GLU A 34 18.816 -3.665 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 34 20.754 -2.198 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.295 -3.561 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.384 -2.529 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.159 -0.569 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.737 -1.473 0.171 1.00 0.00 H new ATOM 494 N ASP A 35 20.423 -5.400 -1.912 1.00 0.00 N ATOM 495 CA ASP A 35 20.753 -6.740 -2.382 1.00 0.00 C ATOM 496 C ASP A 35 19.709 -7.241 -3.374 1.00 0.00 C ATOM 497 O ASP A 35 18.517 -7.290 -3.066 1.00 0.00 O ATOM 498 CB ASP A 35 20.858 -7.706 -1.201 1.00 0.00 C ATOM 499 CG ASP A 35 21.831 -8.839 -1.464 1.00 0.00 C ATOM 500 OD1 ASP A 35 22.690 -8.687 -2.358 1.00 0.00 O ATOM 501 OD2 ASP A 35 21.734 -9.877 -0.776 1.00 0.00 O ATOM 0 H ASP A 35 19.737 -5.375 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 35 21.716 -6.693 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 35 21.175 -7.158 -0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 35 19.873 -8.120 -0.985 1.00 0.00 H new ATOM 506 N LEU A 36 20.162 -7.611 -4.567 1.00 0.00 N ATOM 507 CA LEU A 36 19.267 -8.108 -5.606 1.00 0.00 C ATOM 508 C LEU A 36 18.571 -9.390 -5.158 1.00 0.00 C ATOM 509 O LEU A 36 17.371 -9.565 -5.373 1.00 0.00 O ATOM 510 CB LEU A 36 20.044 -8.361 -6.899 1.00 0.00 C ATOM 511 CG LEU A 36 20.989 -7.244 -7.343 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.719 -7.638 -8.618 1.00 0.00 C ATOM 513 CD2 LEU A 36 20.223 -5.945 -7.545 1.00 0.00 C ATOM 0 H LEU A 36 21.145 -7.576 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 36 18.507 -7.349 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.626 -9.275 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.328 -8.544 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 36 21.729 -7.087 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 36 22.387 -6.831 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.300 -8.543 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.994 -7.823 -9.410 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.912 -5.162 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.460 -6.088 -8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.747 -5.654 -6.609 1.00 0.00 H new ATOM 525 N LEU A 37 19.331 -10.282 -4.533 1.00 0.00 N ATOM 526 CA LEU A 37 18.788 -11.547 -4.052 1.00 0.00 C ATOM 527 C LEU A 37 17.638 -11.311 -3.079 1.00 0.00 C ATOM 528 O LEU A 37 16.532 -11.817 -3.274 1.00 0.00 O ATOM 529 CB LEU A 37 19.884 -12.371 -3.374 1.00 0.00 C ATOM 530 CG LEU A 37 21.180 -12.544 -4.166 1.00 0.00 C ATOM 531 CD1 LEU A 37 22.282 -13.094 -3.273 1.00 0.00 C ATOM 532 CD2 LEU A 37 20.956 -13.456 -5.363 1.00 0.00 C ATOM 0 H LEU A 37 20.326 -10.153 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 37 18.406 -12.099 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.125 -11.903 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.483 -13.360 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 37 21.492 -11.566 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.197 -13.211 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.461 -12.404 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.979 -14.063 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 37 21.889 -13.568 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.619 -14.434 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.199 -13.021 -6.015 1.00 0.00 H new ATOM 544 N ARG A 38 17.905 -10.537 -2.031 1.00 0.00 N ATOM 545 CA ARG A 38 16.892 -10.233 -1.028 1.00 0.00 C ATOM 546 C ARG A 38 15.740 -9.442 -1.641 1.00 0.00 C ATOM 547 O ARG A 38 15.956 -8.481 -2.380 1.00 0.00 O ATOM 548 CB ARG A 38 17.509 -9.443 0.127 1.00 0.00 C ATOM 549 CG ARG A 38 18.809 -10.036 0.645 1.00 0.00 C ATOM 550 CD ARG A 38 18.593 -11.419 1.240 1.00 0.00 C ATOM 551 NE ARG A 38 19.815 -11.957 1.832 1.00 0.00 N ATOM 552 CZ ARG A 38 19.943 -13.216 2.236 1.00 0.00 C ATOM 553 NH1 ARG A 38 18.929 -14.062 2.111 1.00 0.00 N ATOM 554 NH2 ARG A 38 21.086 -13.631 2.765 1.00 0.00 N ATOM 0 H ARG A 38 18.814 -10.110 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 38 16.500 -11.176 -0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.692 -8.420 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.791 -9.392 0.946 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.532 -10.098 -0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.235 -9.376 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.814 -11.369 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.238 -12.096 0.463 1.00 0.00 H new ATOM 0 HE ARG A 38 20.614 -11.332 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.049 -13.746 1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.030 -15.028 2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 38 21.868 -12.983 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 38 21.183 -14.598 3.075 1.00 0.00 H new ATOM 568 N LYS A 39 14.515 -9.854 -1.330 1.00 0.00 N ATOM 569 CA LYS A 39 13.328 -9.184 -1.849 1.00 0.00 C ATOM 570 C LYS A 39 12.332 -8.897 -0.729 1.00 0.00 C ATOM 571 O LYS A 39 11.794 -9.806 -0.097 1.00 0.00 O ATOM 572 CB LYS A 39 12.665 -10.042 -2.928 1.00 0.00 C ATOM 573 CG LYS A 39 11.268 -9.577 -3.302 1.00 0.00 C ATOM 574 CD LYS A 39 10.867 -10.069 -4.683 1.00 0.00 C ATOM 575 CE LYS A 39 10.131 -11.399 -4.608 1.00 0.00 C ATOM 576 NZ LYS A 39 9.104 -11.405 -3.530 1.00 0.00 N ATOM 0 H LYS A 39 14.318 -10.648 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 39 13.638 -8.235 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.291 -10.037 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.614 -11.074 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.553 -9.940 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.227 -8.488 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.231 -9.326 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.756 -10.178 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.653 -11.604 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.848 -12.201 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.535 -12.273 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.574 -11.371 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.485 -10.576 -3.635 1.00 0.00 H new ATOM 590 N PRO A 40 12.080 -7.604 -0.478 1.00 0.00 N ATOM 591 CA PRO A 40 11.146 -7.168 0.564 1.00 0.00 C ATOM 592 C PRO A 40 9.696 -7.485 0.213 1.00 0.00 C ATOM 593 O PRO A 40 9.250 -7.239 -0.908 1.00 0.00 O ATOM 594 CB PRO A 40 11.363 -5.654 0.625 1.00 0.00 C ATOM 595 CG PRO A 40 11.875 -5.291 -0.726 1.00 0.00 C ATOM 596 CD PRO A 40 12.686 -6.468 -1.192 1.00 0.00 C ATOM 0 HA PRO A 40 11.326 -7.676 1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.434 -5.130 0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.077 -5.387 1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.053 -5.087 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.486 -4.389 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.626 -6.595 -2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.741 -6.353 -0.943 1.00 0.00 H new ATOM 604 N THR A 41 8.963 -8.031 1.179 1.00 0.00 N ATOM 605 CA THR A 41 7.564 -8.381 0.971 1.00 0.00 C ATOM 606 C THR A 41 6.640 -7.284 1.486 1.00 0.00 C ATOM 607 O THR A 41 6.868 -6.719 2.556 1.00 0.00 O ATOM 608 CB THR A 41 7.207 -9.707 1.670 1.00 0.00 C ATOM 609 OG1 THR A 41 8.065 -10.754 1.201 1.00 0.00 O ATOM 610 CG2 THR A 41 5.755 -10.080 1.412 1.00 0.00 C ATOM 0 H THR A 41 9.316 -8.240 2.113 1.00 0.00 H new ATOM 0 HA THR A 41 7.423 -8.495 -0.104 1.00 0.00 H new ATOM 0 HB THR A 41 7.347 -9.577 2.743 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.833 -11.593 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.526 -11.019 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.104 -9.295 1.796 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.594 -10.194 0.340 1.00 0.00 H new ATOM 618 N ILE A 42 5.597 -6.987 0.719 1.00 0.00 N ATOM 619 CA ILE A 42 4.638 -5.957 1.100 1.00 0.00 C ATOM 620 C ILE A 42 3.273 -6.565 1.406 1.00 0.00 C ATOM 621 O ILE A 42 2.768 -7.398 0.653 1.00 0.00 O ATOM 622 CB ILE A 42 4.479 -4.898 -0.007 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.584 -3.755 0.476 1.00 0.00 C ATOM 624 CG2 ILE A 42 3.907 -5.530 -1.267 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.841 -2.445 -0.236 1.00 0.00 C ATOM 0 H ILE A 42 5.394 -7.445 -0.170 1.00 0.00 H new ATOM 0 HA ILE A 42 5.030 -5.477 1.997 1.00 0.00 H new ATOM 0 HB ILE A 42 5.462 -4.490 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.541 -4.037 0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.735 -3.613 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.801 -4.769 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.579 -6.313 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.931 -5.962 -1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.171 -1.680 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.875 -2.140 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.662 -2.570 -1.304 1.00 0.00 H new ATOM 637 N LYS A 43 2.678 -6.140 2.516 1.00 0.00 N ATOM 638 CA LYS A 43 1.369 -6.638 2.922 1.00 0.00 C ATOM 639 C LYS A 43 0.371 -5.494 3.063 1.00 0.00 C ATOM 640 O LYS A 43 0.560 -4.590 3.876 1.00 0.00 O ATOM 641 CB LYS A 43 1.479 -7.399 4.246 1.00 0.00 C ATOM 642 CG LYS A 43 0.220 -8.165 4.613 1.00 0.00 C ATOM 643 CD LYS A 43 0.236 -9.572 4.039 1.00 0.00 C ATOM 644 CE LYS A 43 0.888 -10.557 4.998 1.00 0.00 C ATOM 645 NZ LYS A 43 0.174 -10.615 6.303 1.00 0.00 N ATOM 0 H LYS A 43 3.082 -5.451 3.151 1.00 0.00 H new ATOM 0 HA LYS A 43 1.010 -7.316 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.314 -8.097 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.710 -6.693 5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.126 -8.215 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.654 -7.630 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.784 -9.891 3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.775 -9.574 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.901 -11.549 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.926 -10.269 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.276 -11.565 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.581 -9.912 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.835 -10.408 6.156 1.00 0.00 H new ATOM 659 N TRP A 44 -0.691 -5.540 2.266 1.00 0.00 N ATOM 660 CA TRP A 44 -1.720 -4.507 2.303 1.00 0.00 C ATOM 661 C TRP A 44 -2.787 -4.839 3.340 1.00 0.00 C ATOM 662 O TRP A 44 -3.309 -5.954 3.372 1.00 0.00 O ATOM 663 CB TRP A 44 -2.362 -4.349 0.924 1.00 0.00 C ATOM 664 CG TRP A 44 -1.364 -4.149 -0.176 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.571 -5.103 -0.747 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.052 -2.917 -0.837 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.215 -4.539 -1.723 1.00 0.00 N ATOM 668 CE2 TRP A 44 -0.061 -3.200 -1.798 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.514 -1.605 -0.712 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.474 -2.217 -2.626 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.982 -0.630 -1.534 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.003 -0.940 -2.481 1.00 0.00 C ATOM 0 H TRP A 44 -0.862 -6.281 1.587 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.247 -3.567 2.585 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.960 -5.234 0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.045 -3.500 0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.563 -6.147 -0.472 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.894 -5.037 -2.298 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.274 -1.357 0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.233 -2.454 -3.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.331 0.388 -1.445 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.399 -0.156 -3.109 1.00 0.00 H new ATOM 683 N PHE A 45 -3.109 -3.866 4.185 1.00 0.00 N ATOM 684 CA PHE A 45 -4.114 -4.056 5.224 1.00 0.00 C ATOM 685 C PHE A 45 -5.187 -2.973 5.147 1.00 0.00 C ATOM 686 O PHE A 45 -5.002 -1.944 4.496 1.00 0.00 O ATOM 687 CB PHE A 45 -3.459 -4.043 6.606 1.00 0.00 C ATOM 688 CG PHE A 45 -2.727 -5.313 6.934 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.417 -6.435 7.364 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.349 -5.385 6.813 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.747 -7.605 7.666 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.673 -6.552 7.114 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.373 -7.663 7.542 1.00 0.00 C ATOM 0 H PHE A 45 -2.688 -2.937 4.171 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.587 -5.025 5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.762 -3.207 6.661 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.226 -3.869 7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.492 -6.395 7.464 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.797 -4.519 6.480 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.297 -8.473 7.999 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.402 -6.595 7.015 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.847 -8.576 7.779 1.00 0.00 H new ATOM 703 N LYS A 46 -6.310 -3.213 5.815 1.00 0.00 N ATOM 704 CA LYS A 46 -7.413 -2.260 5.825 1.00 0.00 C ATOM 705 C LYS A 46 -8.102 -2.238 7.186 1.00 0.00 C ATOM 706 O LYS A 46 -8.172 -3.256 7.873 1.00 0.00 O ATOM 707 CB LYS A 46 -8.427 -2.611 4.734 1.00 0.00 C ATOM 708 CG LYS A 46 -9.241 -1.422 4.254 1.00 0.00 C ATOM 709 CD LYS A 46 -10.462 -1.192 5.129 1.00 0.00 C ATOM 710 CE LYS A 46 -11.554 -0.445 4.377 1.00 0.00 C ATOM 711 NZ LYS A 46 -12.484 -1.377 3.681 1.00 0.00 N ATOM 0 H LYS A 46 -6.480 -4.060 6.357 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.005 -1.269 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.899 -3.045 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.105 -3.376 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.617 -0.528 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.557 -1.588 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.848 -2.150 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.175 -0.625 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.116 0.176 5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.099 0.226 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.312 -0.850 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.996 -1.816 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.794 -2.117 4.343 1.00 0.00 H new ATOM 725 N GLY A 47 -8.610 -1.070 7.569 1.00 0.00 N ATOM 726 CA GLY A 47 -9.287 -0.939 8.845 1.00 0.00 C ATOM 727 C GLY A 47 -8.368 -1.211 10.020 1.00 0.00 C ATOM 728 O GLY A 47 -7.267 -0.665 10.097 1.00 0.00 O ATOM 0 H GLY A 47 -8.564 -0.213 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.697 0.067 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.129 -1.630 8.879 1.00 0.00 H new ATOM 732 N LYS A 48 -8.821 -2.057 10.940 1.00 0.00 N ATOM 733 CA LYS A 48 -8.033 -2.401 12.117 1.00 0.00 C ATOM 734 C LYS A 48 -7.429 -3.795 11.979 1.00 0.00 C ATOM 735 O LYS A 48 -6.233 -3.988 12.201 1.00 0.00 O ATOM 736 CB LYS A 48 -8.901 -2.332 13.375 1.00 0.00 C ATOM 737 CG LYS A 48 -8.129 -1.959 14.628 1.00 0.00 C ATOM 738 CD LYS A 48 -8.860 -2.398 15.886 1.00 0.00 C ATOM 739 CE LYS A 48 -8.296 -1.717 17.124 1.00 0.00 C ATOM 740 NZ LYS A 48 -9.182 -1.897 18.307 1.00 0.00 N ATOM 0 H LYS A 48 -9.730 -2.517 10.892 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.221 -1.679 12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.696 -1.603 13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.381 -3.299 13.528 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.142 -2.421 14.600 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.975 -0.880 14.654 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.921 -2.165 15.792 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.780 -3.479 15.996 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.309 -2.123 17.344 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.166 -0.653 16.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.763 -1.419 19.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.116 -1.487 18.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.286 -2.911 18.512 1.00 0.00 H new ATOM 754 N TRP A 49 -8.261 -4.761 11.611 1.00 0.00 N ATOM 755 CA TRP A 49 -7.808 -6.137 11.441 1.00 0.00 C ATOM 756 C TRP A 49 -7.964 -6.588 9.993 1.00 0.00 C ATOM 757 O TRP A 49 -7.144 -7.347 9.478 1.00 0.00 O ATOM 758 CB TRP A 49 -8.590 -7.071 12.366 1.00 0.00 C ATOM 759 CG TRP A 49 -8.879 -6.472 13.709 1.00 0.00 C ATOM 760 CD1 TRP A 49 -9.960 -5.711 14.052 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.074 -6.582 14.888 1.00 0.00 C ATOM 762 NE1 TRP A 49 -9.876 -5.342 15.373 1.00 0.00 N ATOM 763 CE2 TRP A 49 -8.729 -5.864 15.908 1.00 0.00 C ATOM 764 CE3 TRP A 49 -6.866 -7.220 15.182 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -8.213 -5.767 17.198 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -6.355 -7.121 16.462 1.00 0.00 C ATOM 767 CH2 TRP A 49 -7.028 -6.400 17.457 1.00 0.00 C ATOM 0 H TRP A 49 -9.253 -4.618 11.424 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.751 -6.179 11.702 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -9.531 -7.341 11.887 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.025 -7.993 12.501 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -10.763 -5.439 13.383 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.558 -4.772 15.874 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.341 -7.780 14.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -8.730 -5.212 17.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.421 -7.608 16.700 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.603 -6.343 18.448 1.00 0.00 H new ATOM 778 N MET A 50 -9.021 -6.115 9.342 1.00 0.00 N ATOM 779 CA MET A 50 -9.283 -6.469 7.951 1.00 0.00 C ATOM 780 C MET A 50 -7.996 -6.443 7.132 1.00 0.00 C ATOM 781 O MET A 50 -7.331 -5.412 7.038 1.00 0.00 O ATOM 782 CB MET A 50 -10.308 -5.511 7.343 1.00 0.00 C ATOM 783 CG MET A 50 -11.135 -6.133 6.229 1.00 0.00 C ATOM 784 SD MET A 50 -12.101 -4.913 5.317 1.00 0.00 S ATOM 785 CE MET A 50 -10.979 -4.528 3.975 1.00 0.00 C ATOM 0 H MET A 50 -9.710 -5.486 9.754 1.00 0.00 H new ATOM 0 HA MET A 50 -9.686 -7.482 7.929 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.977 -5.161 8.129 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.789 -4.636 6.953 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.473 -6.656 5.539 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.807 -6.879 6.654 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.927 -3.447 3.843 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.987 -4.914 4.208 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.340 -4.988 3.055 1.00 0.00 H new ATOM 795 N ASP A 51 -7.652 -7.583 6.543 1.00 0.00 N ATOM 796 CA ASP A 51 -6.445 -7.690 5.731 1.00 0.00 C ATOM 797 C ASP A 51 -6.796 -7.882 4.259 1.00 0.00 C ATOM 798 O ASP A 51 -7.488 -8.833 3.894 1.00 0.00 O ATOM 799 CB ASP A 51 -5.579 -8.853 6.218 1.00 0.00 C ATOM 800 CG ASP A 51 -4.334 -9.040 5.374 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.590 -8.053 5.187 1.00 0.00 O ATOM 802 OD2 ASP A 51 -4.102 -10.172 4.902 1.00 0.00 O ATOM 0 H ASP A 51 -8.192 -8.446 6.612 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.884 -6.761 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.289 -8.678 7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.166 -9.771 6.202 1.00 0.00 H new ATOM 807 N LEU A 52 -6.315 -6.972 3.418 1.00 0.00 N ATOM 808 CA LEU A 52 -6.578 -7.040 1.985 1.00 0.00 C ATOM 809 C LEU A 52 -5.850 -8.223 1.354 1.00 0.00 C ATOM 810 O LEU A 52 -6.391 -8.904 0.483 1.00 0.00 O ATOM 811 CB LEU A 52 -6.147 -5.740 1.305 1.00 0.00 C ATOM 812 CG LEU A 52 -6.622 -4.446 1.969 1.00 0.00 C ATOM 813 CD1 LEU A 52 -5.942 -3.241 1.337 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.136 -4.320 1.869 1.00 0.00 C ATOM 0 H LEU A 52 -5.741 -6.179 3.704 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.650 -7.179 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.058 -5.722 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.511 -5.753 0.278 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.349 -4.480 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.292 -2.330 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.862 -3.326 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.184 -3.202 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.456 -3.394 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.432 -4.309 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.605 -5.167 2.369 1.00 0.00 H new ATOM 826 N ALA A 53 -4.622 -8.462 1.800 1.00 0.00 N ATOM 827 CA ALA A 53 -3.821 -9.564 1.281 1.00 0.00 C ATOM 828 C ALA A 53 -4.668 -10.819 1.100 1.00 0.00 C ATOM 829 O ALA A 53 -4.489 -11.567 0.139 1.00 0.00 O ATOM 830 CB ALA A 53 -2.648 -9.846 2.208 1.00 0.00 C ATOM 0 H ALA A 53 -4.159 -7.907 2.520 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.436 -9.273 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.059 -10.671 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.022 -8.957 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.022 -10.113 3.197 1.00 0.00 H new ATOM 836 N SER A 54 -5.591 -11.044 2.029 1.00 0.00 N ATOM 837 CA SER A 54 -6.463 -12.212 1.974 1.00 0.00 C ATOM 838 C SER A 54 -7.643 -11.965 1.038 1.00 0.00 C ATOM 839 O SER A 54 -8.195 -12.898 0.455 1.00 0.00 O ATOM 840 CB SER A 54 -6.972 -12.561 3.373 1.00 0.00 C ATOM 841 OG SER A 54 -7.793 -13.717 3.344 1.00 0.00 O ATOM 0 H SER A 54 -5.755 -10.433 2.829 1.00 0.00 H new ATOM 0 HA SER A 54 -5.883 -13.050 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.126 -12.729 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.536 -11.721 3.778 1.00 0.00 H new ATOM 0 HG SER A 54 -8.104 -13.920 4.251 1.00 0.00 H new ATOM 847 N LYS A 55 -8.025 -10.700 0.900 1.00 0.00 N ATOM 848 CA LYS A 55 -9.138 -10.327 0.035 1.00 0.00 C ATOM 849 C LYS A 55 -8.779 -10.530 -1.433 1.00 0.00 C ATOM 850 O LYS A 55 -9.652 -10.758 -2.270 1.00 0.00 O ATOM 851 CB LYS A 55 -9.533 -8.868 0.277 1.00 0.00 C ATOM 852 CG LYS A 55 -9.784 -8.540 1.739 1.00 0.00 C ATOM 853 CD LYS A 55 -11.170 -8.982 2.179 1.00 0.00 C ATOM 854 CE LYS A 55 -11.551 -8.368 3.518 1.00 0.00 C ATOM 855 NZ LYS A 55 -11.002 -9.148 4.662 1.00 0.00 N ATOM 0 H LYS A 55 -7.580 -9.915 1.376 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.984 -10.971 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.743 -8.219 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.432 -8.644 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.032 -9.030 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.676 -7.467 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.902 -8.694 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.200 -10.069 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.181 -7.344 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.637 -8.319 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.339 -8.737 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.320 -10.136 4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.963 -9.116 4.637 1.00 0.00 H new ATOM 869 N ALA A 56 -7.488 -10.447 -1.738 1.00 0.00 N ATOM 870 CA ALA A 56 -7.013 -10.625 -3.105 1.00 0.00 C ATOM 871 C ALA A 56 -7.379 -12.007 -3.637 1.00 0.00 C ATOM 872 O ALA A 56 -6.837 -13.018 -3.192 1.00 0.00 O ATOM 873 CB ALA A 56 -5.508 -10.413 -3.172 1.00 0.00 C ATOM 0 H ALA A 56 -6.753 -10.258 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.502 -9.881 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.167 -10.549 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.268 -9.403 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.010 -11.135 -2.525 1.00 0.00 H new ATOM 879 N GLY A 57 -8.302 -12.042 -4.593 1.00 0.00 N ATOM 880 CA GLY A 57 -8.725 -13.305 -5.170 1.00 0.00 C ATOM 881 C GLY A 57 -9.362 -13.134 -6.535 1.00 0.00 C ATOM 882 O GLY A 57 -8.818 -13.586 -7.543 1.00 0.00 O ATOM 0 H GLY A 57 -8.764 -11.219 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.864 -13.969 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.435 -13.788 -4.499 1.00 0.00 H new ATOM 886 N LYS A 58 -10.519 -12.482 -6.569 1.00 0.00 N ATOM 887 CA LYS A 58 -11.232 -12.253 -7.820 1.00 0.00 C ATOM 888 C LYS A 58 -11.536 -10.771 -8.010 1.00 0.00 C ATOM 889 O LYS A 58 -11.244 -10.196 -9.059 1.00 0.00 O ATOM 890 CB LYS A 58 -12.533 -13.058 -7.844 1.00 0.00 C ATOM 891 CG LYS A 58 -12.957 -13.488 -9.238 1.00 0.00 C ATOM 892 CD LYS A 58 -14.466 -13.633 -9.342 1.00 0.00 C ATOM 893 CE LYS A 58 -14.958 -14.873 -8.612 1.00 0.00 C ATOM 894 NZ LYS A 58 -14.872 -16.091 -9.465 1.00 0.00 N ATOM 0 H LYS A 58 -10.983 -12.103 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.592 -12.582 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.414 -13.944 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.329 -12.460 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.610 -12.756 -9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.481 -14.436 -9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.947 -12.749 -8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.756 -13.688 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.367 -15.020 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.991 -14.723 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.217 -16.914 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.456 -15.961 -10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.883 -16.250 -9.745 1.00 0.00 H new ATOM 908 N HIS A 59 -12.122 -10.156 -6.987 1.00 0.00 N ATOM 909 CA HIS A 59 -12.463 -8.739 -7.041 1.00 0.00 C ATOM 910 C HIS A 59 -11.238 -7.874 -6.762 1.00 0.00 C ATOM 911 O HIS A 59 -11.244 -6.669 -7.017 1.00 0.00 O ATOM 912 CB HIS A 59 -13.567 -8.419 -6.033 1.00 0.00 C ATOM 913 CG HIS A 59 -14.891 -9.027 -6.382 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.757 -8.469 -7.299 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.495 -10.152 -5.933 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.837 -9.224 -7.398 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.703 -10.252 -6.579 1.00 0.00 N ATOM 0 H HIS A 59 -12.370 -10.617 -6.111 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.823 -8.516 -8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.262 -8.773 -5.048 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.681 -7.337 -5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.100 -10.843 -5.203 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.685 -9.033 -8.039 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.386 -10.998 -6.448 1.00 0.00 H new ATOM 926 N LEU A 60 -10.188 -8.496 -6.236 1.00 0.00 N ATOM 927 CA LEU A 60 -8.955 -7.783 -5.921 1.00 0.00 C ATOM 928 C LEU A 60 -7.735 -8.587 -6.360 1.00 0.00 C ATOM 929 O LEU A 60 -7.726 -9.814 -6.277 1.00 0.00 O ATOM 930 CB LEU A 60 -8.878 -7.495 -4.421 1.00 0.00 C ATOM 931 CG LEU A 60 -7.534 -6.981 -3.904 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.494 -5.461 -3.942 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.276 -7.488 -2.493 1.00 0.00 C ATOM 0 H LEU A 60 -10.166 -9.492 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.960 -6.839 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.645 -6.761 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.126 -8.410 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.746 -7.361 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.530 -5.113 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.633 -5.119 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.291 -5.060 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.315 -7.112 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.067 -7.138 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.261 -8.578 -2.495 1.00 0.00 H new ATOM 945 N GLN A 61 -6.706 -7.885 -6.824 1.00 0.00 N ATOM 946 CA GLN A 61 -5.480 -8.533 -7.273 1.00 0.00 C ATOM 947 C GLN A 61 -4.268 -7.644 -7.016 1.00 0.00 C ATOM 948 O GLN A 61 -4.220 -6.497 -7.463 1.00 0.00 O ATOM 949 CB GLN A 61 -5.573 -8.871 -8.762 1.00 0.00 C ATOM 950 CG GLN A 61 -6.681 -9.858 -9.094 1.00 0.00 C ATOM 951 CD GLN A 61 -6.257 -11.300 -8.895 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.500 -11.852 -9.695 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.743 -11.919 -7.826 1.00 0.00 N ATOM 0 H GLN A 61 -6.697 -6.868 -6.899 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.358 -9.455 -6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.736 -7.952 -9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.620 -9.283 -9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.548 -9.649 -8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.992 -9.714 -10.129 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.367 -11.423 -7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.492 -12.890 -7.641 1.00 0.00 H new ATOM 962 N LEU A 62 -3.290 -8.179 -6.294 1.00 0.00 N ATOM 963 CA LEU A 62 -2.076 -7.433 -5.978 1.00 0.00 C ATOM 964 C LEU A 62 -1.014 -7.640 -7.052 1.00 0.00 C ATOM 965 O LEU A 62 -1.119 -8.547 -7.878 1.00 0.00 O ATOM 966 CB LEU A 62 -1.531 -7.864 -4.615 1.00 0.00 C ATOM 967 CG LEU A 62 -2.555 -7.971 -3.485 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.894 -8.474 -2.211 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.226 -6.626 -3.245 1.00 0.00 C ATOM 0 H LEU A 62 -3.313 -9.126 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.328 -6.373 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.045 -8.833 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.760 -7.155 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.320 -8.689 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.638 -8.544 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.461 -9.458 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.108 -7.781 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.952 -6.720 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.473 -5.887 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.735 -6.306 -4.154 1.00 0.00 H new ATOM 981 N LYS A 63 0.011 -6.795 -7.034 1.00 0.00 N ATOM 982 CA LYS A 63 1.096 -6.886 -8.004 1.00 0.00 C ATOM 983 C LYS A 63 2.441 -6.603 -7.344 1.00 0.00 C ATOM 984 O LYS A 63 2.520 -5.852 -6.372 1.00 0.00 O ATOM 985 CB LYS A 63 0.863 -5.903 -9.154 1.00 0.00 C ATOM 986 CG LYS A 63 1.308 -6.432 -10.506 1.00 0.00 C ATOM 987 CD LYS A 63 0.176 -7.146 -11.226 1.00 0.00 C ATOM 988 CE LYS A 63 0.394 -7.161 -12.731 1.00 0.00 C ATOM 989 NZ LYS A 63 -0.840 -7.551 -13.466 1.00 0.00 N ATOM 0 H LYS A 63 0.113 -6.038 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 63 1.112 -7.902 -8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.198 -5.657 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.396 -4.976 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.668 -5.606 -11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.145 -7.118 -10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.098 -8.169 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.769 -6.653 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.717 -6.174 -13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.197 -7.857 -12.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.650 -7.549 -14.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.134 -8.504 -13.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.599 -6.873 -13.254 1.00 0.00 H new ATOM 1003 N GLU A 64 3.497 -7.208 -7.879 1.00 0.00 N ATOM 1004 CA GLU A 64 4.839 -7.019 -7.341 1.00 0.00 C ATOM 1005 C GLU A 64 5.893 -7.210 -8.428 1.00 0.00 C ATOM 1006 O GLU A 64 5.863 -8.190 -9.174 1.00 0.00 O ATOM 1007 CB GLU A 64 5.093 -7.996 -6.191 1.00 0.00 C ATOM 1008 CG GLU A 64 6.565 -8.305 -5.969 1.00 0.00 C ATOM 1009 CD GLU A 64 6.793 -9.249 -4.804 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.370 -8.915 -3.678 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.395 -10.322 -5.020 1.00 0.00 O ATOM 0 H GLU A 64 3.449 -7.833 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 64 4.912 -5.999 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.675 -7.581 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.561 -8.926 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.981 -8.745 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.105 -7.375 -5.790 1.00 0.00 H new ATOM 1018 N THR A 65 6.826 -6.266 -8.512 1.00 0.00 N ATOM 1019 CA THR A 65 7.888 -6.328 -9.508 1.00 0.00 C ATOM 1020 C THR A 65 9.211 -5.836 -8.932 1.00 0.00 C ATOM 1021 O THR A 65 9.237 -5.151 -7.909 1.00 0.00 O ATOM 1022 CB THR A 65 7.540 -5.491 -10.753 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.489 -5.746 -11.795 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.529 -4.007 -10.422 1.00 0.00 C ATOM 0 H THR A 65 6.867 -5.450 -7.902 1.00 0.00 H new ATOM 0 HA THR A 65 7.988 -7.374 -9.799 1.00 0.00 H new ATOM 0 HB THR A 65 6.544 -5.779 -11.090 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.260 -5.212 -12.584 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.281 -3.436 -11.317 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.785 -3.812 -9.649 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.513 -3.707 -10.062 1.00 0.00 H new ATOM 1032 N PHE A 66 10.307 -6.188 -9.595 1.00 0.00 N ATOM 1033 CA PHE A 66 11.635 -5.782 -9.148 1.00 0.00 C ATOM 1034 C PHE A 66 12.368 -5.018 -10.246 1.00 0.00 C ATOM 1035 O PHE A 66 12.196 -5.298 -11.432 1.00 0.00 O ATOM 1036 CB PHE A 66 12.452 -7.006 -8.730 1.00 0.00 C ATOM 1037 CG PHE A 66 13.895 -6.696 -8.451 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.250 -5.901 -7.373 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.896 -7.200 -9.266 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.577 -5.615 -7.113 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.224 -6.917 -9.011 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.565 -6.122 -7.933 1.00 0.00 C ATOM 0 H PHE A 66 10.302 -6.754 -10.444 1.00 0.00 H new ATOM 0 HA PHE A 66 11.516 -5.123 -8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.004 -7.445 -7.839 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.396 -7.757 -9.518 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.481 -5.500 -6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.635 -7.821 -10.110 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.841 -4.995 -6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.995 -7.317 -9.653 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.602 -5.898 -7.733 1.00 0.00 H new ATOM 1052 N GLU A 67 13.185 -4.050 -9.842 1.00 0.00 N ATOM 1053 CA GLU A 67 13.944 -3.245 -10.791 1.00 0.00 C ATOM 1054 C GLU A 67 15.417 -3.185 -10.400 1.00 0.00 C ATOM 1055 O GLU A 67 15.821 -2.354 -9.587 1.00 0.00 O ATOM 1056 CB GLU A 67 13.367 -1.829 -10.868 1.00 0.00 C ATOM 1057 CG GLU A 67 12.240 -1.684 -11.876 1.00 0.00 C ATOM 1058 CD GLU A 67 11.780 -0.248 -12.034 1.00 0.00 C ATOM 1059 OE1 GLU A 67 12.646 0.638 -12.192 1.00 0.00 O ATOM 1060 OE2 GLU A 67 10.555 -0.010 -12.000 1.00 0.00 O ATOM 0 H GLU A 67 13.338 -3.805 -8.864 1.00 0.00 H new ATOM 0 HA GLU A 67 13.866 -3.716 -11.771 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.001 -1.541 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.166 -1.134 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.571 -2.064 -12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.396 -2.299 -11.563 1.00 0.00 H new ATOM 1067 N ARG A 68 16.215 -4.074 -10.984 1.00 0.00 N ATOM 1068 CA ARG A 68 17.643 -4.125 -10.695 1.00 0.00 C ATOM 1069 C ARG A 68 18.329 -2.828 -11.115 1.00 0.00 C ATOM 1070 O ARG A 68 19.320 -2.415 -10.513 1.00 0.00 O ATOM 1071 CB ARG A 68 18.288 -5.311 -11.413 1.00 0.00 C ATOM 1072 CG ARG A 68 17.639 -5.642 -12.747 1.00 0.00 C ATOM 1073 CD ARG A 68 16.536 -6.677 -12.588 1.00 0.00 C ATOM 1074 NE ARG A 68 15.475 -6.502 -13.576 1.00 0.00 N ATOM 1075 CZ ARG A 68 14.618 -7.459 -13.912 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.696 -8.654 -13.341 1.00 0.00 N ATOM 1077 NH2 ARG A 68 13.679 -7.223 -14.819 1.00 0.00 N ATOM 0 H ARG A 68 15.896 -4.768 -11.660 1.00 0.00 H new ATOM 0 HA ARG A 68 17.766 -4.250 -9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.344 -5.096 -11.576 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.237 -6.187 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.227 -4.734 -13.188 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.395 -6.017 -13.437 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.960 -7.676 -12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.113 -6.606 -11.586 1.00 0.00 H new ATOM 0 HE ARG A 68 15.387 -5.594 -14.033 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.415 -8.839 -12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.036 -9.387 -13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.615 -6.305 -15.259 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.022 -7.959 -15.076 1.00 0.00 H new ATOM 1091 N HIS A 69 17.794 -2.191 -12.152 1.00 0.00 N ATOM 1092 CA HIS A 69 18.354 -0.941 -12.653 1.00 0.00 C ATOM 1093 C HIS A 69 18.731 -0.014 -11.501 1.00 0.00 C ATOM 1094 O HIS A 69 19.825 0.550 -11.477 1.00 0.00 O ATOM 1095 CB HIS A 69 17.356 -0.244 -13.578 1.00 0.00 C ATOM 1096 CG HIS A 69 16.834 -1.127 -14.670 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.791 -2.010 -14.489 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.217 -1.258 -15.961 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.555 -2.648 -15.622 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.407 -2.209 -16.531 1.00 0.00 N ATOM 0 H HIS A 69 16.974 -2.520 -12.661 1.00 0.00 H new ATOM 0 HA HIS A 69 19.256 -1.177 -13.217 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.517 0.121 -12.985 1.00 0.00 H new ATOM 0 HB3 HIS A 69 17.834 0.628 -14.024 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.012 -0.716 -16.452 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.795 -3.400 -15.778 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.455 -2.525 -17.500 1.00 0.00 H new ATOM 1109 N SER A 70 17.817 0.139 -10.548 1.00 0.00 N ATOM 1110 CA SER A 70 18.051 1.001 -9.395 1.00 0.00 C ATOM 1111 C SER A 70 17.990 0.201 -8.097 1.00 0.00 C ATOM 1112 O SER A 70 18.107 0.759 -7.006 1.00 0.00 O ATOM 1113 CB SER A 70 17.022 2.132 -9.360 1.00 0.00 C ATOM 1114 OG SER A 70 17.543 3.276 -8.707 1.00 0.00 O ATOM 0 H SER A 70 16.908 -0.323 -10.552 1.00 0.00 H new ATOM 0 HA SER A 70 19.048 1.430 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.728 2.392 -10.377 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.123 1.794 -8.845 1.00 0.00 H new ATOM 0 HG SER A 70 16.866 3.985 -8.699 1.00 0.00 H new ATOM 1120 N ARG A 71 17.805 -1.109 -8.225 1.00 0.00 N ATOM 1121 CA ARG A 71 17.726 -1.986 -7.063 1.00 0.00 C ATOM 1122 C ARG A 71 16.527 -1.626 -6.190 1.00 0.00 C ATOM 1123 O ARG A 71 16.577 -1.752 -4.967 1.00 0.00 O ATOM 1124 CB ARG A 71 19.014 -1.896 -6.242 1.00 0.00 C ATOM 1125 CG ARG A 71 20.257 -2.312 -7.011 1.00 0.00 C ATOM 1126 CD ARG A 71 21.307 -2.912 -6.090 1.00 0.00 C ATOM 1127 NE ARG A 71 22.663 -2.672 -6.576 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.314 -1.527 -6.403 1.00 0.00 C ATOM 1129 NH1 ARG A 71 22.736 -0.523 -5.758 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.546 -1.384 -6.875 1.00 0.00 N ATOM 0 H ARG A 71 17.707 -1.586 -9.121 1.00 0.00 H new ATOM 0 HA ARG A 71 17.600 -3.009 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.140 -0.872 -5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.916 -2.526 -5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.986 -3.038 -7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.675 -1.446 -7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.199 -2.487 -5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.139 -3.985 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 71 23.136 -3.425 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.789 -0.629 -5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.238 0.355 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.994 -2.154 -7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.044 -0.504 -6.741 1.00 0.00 H new ATOM 1144 N VAL A 72 15.451 -1.176 -6.828 1.00 0.00 N ATOM 1145 CA VAL A 72 14.239 -0.798 -6.111 1.00 0.00 C ATOM 1146 C VAL A 72 13.069 -1.694 -6.499 1.00 0.00 C ATOM 1147 O VAL A 72 12.838 -1.956 -7.680 1.00 0.00 O ATOM 1148 CB VAL A 72 13.861 0.669 -6.383 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.478 0.976 -5.828 1.00 0.00 C ATOM 1150 CG2 VAL A 72 14.902 1.607 -5.790 1.00 0.00 C ATOM 0 H VAL A 72 15.394 -1.064 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 72 14.449 -0.920 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 72 13.837 0.825 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.228 2.018 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.743 0.328 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.471 0.803 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.618 2.640 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 72 14.961 1.451 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 72 15.874 1.403 -6.240 1.00 0.00 H new ATOM 1160 N TYR A 73 12.331 -2.162 -5.498 1.00 0.00 N ATOM 1161 CA TYR A 73 11.185 -3.031 -5.734 1.00 0.00 C ATOM 1162 C TYR A 73 9.894 -2.221 -5.810 1.00 0.00 C ATOM 1163 O TYR A 73 9.651 -1.338 -4.986 1.00 0.00 O ATOM 1164 CB TYR A 73 11.077 -4.081 -4.627 1.00 0.00 C ATOM 1165 CG TYR A 73 12.121 -5.171 -4.722 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.418 -4.959 -4.273 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.809 -6.413 -5.261 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.375 -5.951 -4.359 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.759 -7.412 -5.350 1.00 0.00 C ATOM 1170 CZ TYR A 73 14.040 -7.176 -4.898 1.00 0.00 C ATOM 1171 OH TYR A 73 14.990 -8.168 -4.984 1.00 0.00 O ATOM 0 H TYR A 73 12.507 -1.954 -4.515 1.00 0.00 H new ATOM 0 HA TYR A 73 11.334 -3.535 -6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.167 -3.587 -3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.086 -4.534 -4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.683 -4.002 -3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.807 -6.601 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.379 -5.769 -4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.500 -8.372 -5.771 1.00 0.00 H new ATOM 0 HH TYR A 73 15.374 -8.330 -4.097 1.00 0.00 H new ATOM 1181 N THR A 74 9.068 -2.528 -6.805 1.00 0.00 N ATOM 1182 CA THR A 74 7.802 -1.830 -6.991 1.00 0.00 C ATOM 1183 C THR A 74 6.620 -2.769 -6.779 1.00 0.00 C ATOM 1184 O THR A 74 6.508 -3.802 -7.441 1.00 0.00 O ATOM 1185 CB THR A 74 7.704 -1.209 -8.397 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.946 -0.587 -8.745 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.582 -0.183 -8.458 1.00 0.00 C ATOM 0 H THR A 74 9.253 -3.256 -7.495 1.00 0.00 H new ATOM 0 HA THR A 74 7.768 -1.034 -6.247 1.00 0.00 H new ATOM 0 HB THR A 74 7.485 -2.006 -9.108 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.876 -0.196 -9.641 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.532 0.242 -9.460 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.634 -0.666 -8.221 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.775 0.611 -7.736 1.00 0.00 H new ATOM 1195 N PHE A 75 5.739 -2.405 -5.853 1.00 0.00 N ATOM 1196 CA PHE A 75 4.564 -3.216 -5.554 1.00 0.00 C ATOM 1197 C PHE A 75 3.282 -2.422 -5.784 1.00 0.00 C ATOM 1198 O PHE A 75 3.103 -1.339 -5.228 1.00 0.00 O ATOM 1199 CB PHE A 75 4.617 -3.714 -4.109 1.00 0.00 C ATOM 1200 CG PHE A 75 5.974 -4.205 -3.692 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.649 -5.144 -4.455 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.574 -3.727 -2.539 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.899 -5.598 -4.075 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.823 -4.176 -2.154 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.486 -5.113 -2.922 1.00 0.00 C ATOM 0 H PHE A 75 5.816 -1.554 -5.297 1.00 0.00 H new ATOM 0 HA PHE A 75 4.564 -4.074 -6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.312 -2.906 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.894 -4.520 -3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.194 -5.526 -5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.060 -2.995 -1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.415 -6.330 -4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.280 -3.794 -1.253 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.462 -5.466 -2.622 1.00 0.00 H new ATOM 1215 N GLU A 76 2.394 -2.968 -6.609 1.00 0.00 N ATOM 1216 CA GLU A 76 1.129 -2.310 -6.913 1.00 0.00 C ATOM 1217 C GLU A 76 -0.047 -3.104 -6.350 1.00 0.00 C ATOM 1218 O GLU A 76 0.107 -4.253 -5.939 1.00 0.00 O ATOM 1219 CB GLU A 76 0.967 -2.142 -8.426 1.00 0.00 C ATOM 1220 CG GLU A 76 2.223 -1.643 -9.120 1.00 0.00 C ATOM 1221 CD GLU A 76 2.321 -2.113 -10.558 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.658 -1.509 -11.427 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.061 -3.086 -10.815 1.00 0.00 O ATOM 0 H GLU A 76 2.527 -3.864 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 76 1.139 -1.326 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.678 -3.099 -8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.153 -1.444 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.238 -0.553 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.099 -1.986 -8.569 1.00 0.00 H new ATOM 1230 N MET A 77 -1.221 -2.480 -6.336 1.00 0.00 N ATOM 1231 CA MET A 77 -2.423 -3.128 -5.824 1.00 0.00 C ATOM 1232 C MET A 77 -3.612 -2.871 -6.744 1.00 0.00 C ATOM 1233 O MET A 77 -4.192 -1.786 -6.733 1.00 0.00 O ATOM 1234 CB MET A 77 -2.737 -2.627 -4.413 1.00 0.00 C ATOM 1235 CG MET A 77 -4.069 -3.122 -3.875 1.00 0.00 C ATOM 1236 SD MET A 77 -4.191 -2.979 -2.082 1.00 0.00 S ATOM 1237 CE MET A 77 -4.417 -1.212 -1.897 1.00 0.00 C ATOM 0 H MET A 77 -1.365 -1.528 -6.673 1.00 0.00 H new ATOM 0 HA MET A 77 -2.240 -4.202 -5.787 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.942 -2.944 -3.738 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.738 -1.537 -4.415 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.877 -2.554 -4.337 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.208 -4.164 -4.163 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.243 -0.930 -0.859 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.711 -0.686 -2.539 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.435 -0.944 -2.181 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.969 -3.876 -7.538 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.089 -3.757 -8.464 1.00 0.00 C ATOM 1249 C GLN A 78 -6.405 -4.101 -7.774 1.00 0.00 C ATOM 1250 O GLN A 78 -6.535 -5.158 -7.156 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.878 -4.671 -9.672 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.317 -4.050 -10.989 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.101 -4.975 -12.170 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -6.012 -5.207 -12.966 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.892 -5.509 -12.292 1.00 0.00 N ATOM 0 H GLN A 78 -3.499 -4.781 -7.558 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.138 -2.723 -8.804 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.822 -4.934 -9.738 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.429 -5.599 -9.516 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.373 -3.785 -10.928 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.765 -3.124 -11.152 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.166 -5.290 -11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.689 -6.139 -13.068 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.377 -3.202 -7.884 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.683 -3.411 -7.271 1.00 0.00 C ATOM 1266 C ILE A 79 -9.786 -3.432 -8.323 1.00 0.00 C ATOM 1267 O ILE A 79 -10.165 -2.391 -8.861 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.999 -2.318 -6.233 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.936 -2.305 -5.133 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.382 -2.538 -5.638 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.463 -1.855 -3.789 1.00 0.00 C ATOM 0 H ILE A 79 -7.285 -2.322 -8.392 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.645 -4.377 -6.768 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.989 -1.349 -6.733 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.516 -3.306 -5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.121 -1.646 -5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.591 -1.758 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.129 -2.502 -6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.417 -3.512 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.655 -1.870 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.857 -0.842 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.258 -2.528 -3.466 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.299 -4.624 -8.610 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.362 -4.781 -9.596 1.00 0.00 C ATOM 1285 C ILE A 80 -12.736 -4.693 -8.941 1.00 0.00 C ATOM 1286 O ILE A 80 -12.951 -5.223 -7.851 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.245 -6.123 -10.341 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.774 -6.482 -10.563 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.987 -6.059 -11.668 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.179 -7.311 -9.447 1.00 0.00 C ATOM 0 H ILE A 80 -9.996 -5.495 -8.174 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.251 -3.967 -10.312 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.701 -6.902 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.680 -7.029 -11.501 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.197 -5.564 -10.670 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.895 -7.015 -12.183 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.040 -5.845 -11.486 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.558 -5.271 -12.287 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.135 -7.528 -9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.241 -6.758 -8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.732 -8.246 -9.354 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.664 -4.022 -9.614 1.00 0.00 N ATOM 1303 CA LYS A 81 -15.020 -3.867 -9.101 1.00 0.00 C ATOM 1304 C LYS A 81 -15.005 -3.293 -7.688 1.00 0.00 C ATOM 1305 O LYS A 81 -15.699 -3.786 -6.800 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.747 -5.214 -9.108 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.773 -5.884 -10.470 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.990 -6.781 -10.628 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.698 -7.960 -11.543 1.00 0.00 C ATOM 1310 NZ LYS A 81 -16.195 -9.139 -10.785 1.00 0.00 N ATOM 0 H LYS A 81 -13.502 -3.576 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.550 -3.171 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.265 -5.881 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.771 -5.066 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.777 -5.123 -11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.866 -6.473 -10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.303 -7.147 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.820 -6.202 -11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.605 -8.235 -12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.960 -7.666 -12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.008 -9.921 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.316 -8.885 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.910 -9.435 -10.090 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.209 -2.247 -7.488 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.107 -1.604 -6.184 1.00 0.00 C ATOM 1326 C ALA A 82 -15.486 -1.272 -5.625 1.00 0.00 C ATOM 1327 O ALA A 82 -16.229 -0.481 -6.206 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.258 -0.345 -6.282 1.00 0.00 C ATOM 0 H ALA A 82 -13.626 -1.828 -8.212 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.626 -2.302 -5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.190 0.125 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.258 -0.606 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.717 0.349 -6.986 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.824 -1.883 -4.494 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.114 -1.653 -3.855 1.00 0.00 C ATOM 1336 C LYS A 83 -17.028 -0.506 -2.853 1.00 0.00 C ATOM 1337 O LYS A 83 -15.940 -0.135 -2.412 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.592 -2.925 -3.151 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.310 -4.196 -3.934 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.477 -5.433 -3.068 1.00 0.00 C ATOM 1341 CE LYS A 83 -17.050 -6.692 -3.806 1.00 0.00 C ATOM 1342 NZ LYS A 83 -18.016 -7.062 -4.877 1.00 0.00 N ATOM 0 H LYS A 83 -15.221 -2.542 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.832 -1.382 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.109 -2.994 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.664 -2.850 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.984 -4.255 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.295 -4.163 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.885 -5.325 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.519 -5.526 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.063 -6.539 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.960 -7.515 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.838 -8.040 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.986 -6.985 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.899 -6.420 -5.687 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.181 0.050 -2.497 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.236 1.153 -1.545 1.00 0.00 C ATOM 1358 C ASP A 84 -17.619 0.749 -0.210 1.00 0.00 C ATOM 1359 O ASP A 84 -17.375 1.592 0.653 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.683 1.603 -1.337 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.347 2.033 -2.630 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.585 1.161 -3.492 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.629 3.240 -2.780 1.00 0.00 O ATOM 0 H ASP A 84 -19.090 -0.245 -2.853 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.661 1.983 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.254 0.788 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.705 2.431 -0.628 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.369 -0.546 -0.046 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.782 -1.062 1.185 1.00 0.00 C ATOM 1370 C ASN A 85 -15.259 -1.000 1.129 1.00 0.00 C ATOM 1371 O ASN A 85 -14.585 -1.080 2.156 1.00 0.00 O ATOM 1372 CB ASN A 85 -17.236 -2.504 1.426 1.00 0.00 C ATOM 1373 CG ASN A 85 -16.923 -2.981 2.831 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -16.815 -2.181 3.760 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -16.776 -4.291 2.991 1.00 0.00 N ATOM 0 H ASN A 85 -17.564 -1.257 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.124 -0.437 2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -18.309 -2.578 1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.749 -3.161 0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.565 -4.672 3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -16.875 -4.917 2.191 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.722 -0.855 -0.078 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.278 -0.782 -0.269 1.00 0.00 C ATOM 1384 C PHE A 86 -12.738 0.571 0.183 1.00 0.00 C ATOM 1385 O PHE A 86 -11.539 0.727 0.415 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.924 -1.020 -1.738 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.990 -2.465 -2.144 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.036 -3.270 -1.723 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -12.006 -3.018 -2.947 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.099 -4.599 -2.095 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -12.063 -4.347 -3.322 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.111 -5.139 -2.896 1.00 0.00 C ATOM 0 H PHE A 86 -15.265 -0.786 -0.939 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.816 -1.560 0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.604 -0.443 -2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.919 -0.643 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -14.811 -2.854 -1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.184 -2.403 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -14.920 -5.216 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.289 -4.766 -3.948 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.158 -6.178 -3.188 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.631 1.547 0.306 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.245 2.887 0.732 1.00 0.00 C ATOM 1404 C ALA A 87 -13.124 2.967 2.250 1.00 0.00 C ATOM 1405 O ALA A 87 -14.124 2.931 2.965 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.250 3.911 0.226 1.00 0.00 C ATOM 0 H ALA A 87 -14.627 1.435 0.117 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.268 3.110 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.950 4.907 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.284 3.880 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.237 3.681 0.627 1.00 0.00 H new ATOM 1412 N GLY A 88 -11.891 3.075 2.736 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.662 3.157 4.166 1.00 0.00 C ATOM 1414 C GLY A 88 -10.225 3.503 4.504 1.00 0.00 C ATOM 1415 O GLY A 88 -9.610 4.340 3.846 1.00 0.00 O ATOM 0 H GLY A 88 -11.047 3.107 2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.324 3.909 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.921 2.204 4.628 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.689 2.857 5.535 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.316 3.103 5.961 1.00 0.00 C ATOM 1421 C ASN A 89 -7.399 1.966 5.521 1.00 0.00 C ATOM 1422 O ASN A 89 -7.531 0.833 5.985 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.253 3.265 7.481 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.831 3.400 7.990 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.377 2.607 8.816 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.119 4.407 7.497 1.00 0.00 N ATOM 0 H ASN A 89 -10.184 2.160 6.090 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.975 4.025 5.490 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.826 4.145 7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.726 2.405 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.156 4.547 7.801 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.536 5.040 6.814 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.469 2.277 4.625 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.531 1.282 4.120 1.00 0.00 C ATOM 1435 C TYR A 90 -4.161 1.445 4.773 1.00 0.00 C ATOM 1436 O TYR A 90 -3.663 2.560 4.926 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.400 1.397 2.601 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.560 0.789 1.845 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.869 0.988 2.266 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.347 0.017 0.711 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.932 0.434 1.579 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.404 -0.540 0.017 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.695 -0.329 0.455 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.751 -0.882 -0.232 1.00 0.00 O ATOM 0 H TYR A 90 -6.345 3.211 4.233 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.919 0.295 4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.313 2.449 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.477 0.910 2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.059 1.586 3.145 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.338 -0.151 0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.943 0.598 1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.220 -1.137 -0.864 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.594 -0.561 0.150 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.559 0.324 5.156 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.247 0.340 5.793 1.00 0.00 C ATOM 1456 C ARG A 91 -1.292 -0.622 5.094 1.00 0.00 C ATOM 1457 O ARG A 91 -1.593 -1.806 4.935 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.371 -0.031 7.272 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.146 0.333 8.095 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.515 0.638 9.538 1.00 0.00 C ATOM 1461 NE ARG A 91 -2.293 1.868 9.656 1.00 0.00 N ATOM 1462 CZ ARG A 91 -2.603 2.434 10.817 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -2.202 1.883 11.954 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -3.315 3.554 10.842 1.00 0.00 N ATOM 0 H ARG A 91 -3.959 -0.607 5.036 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.843 1.349 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.243 0.471 7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.549 -1.103 7.355 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.430 -0.489 8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.654 1.199 7.653 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.087 -0.194 9.949 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.606 0.725 10.134 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.616 2.318 8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.654 1.023 11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.441 2.319 12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.625 3.981 9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.552 3.988 11.734 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.139 -0.107 4.680 1.00 0.00 N ATOM 1479 CA CYS A 92 0.861 -0.920 3.997 1.00 0.00 C ATOM 1480 C CYS A 92 2.046 -1.206 4.913 1.00 0.00 C ATOM 1481 O CYS A 92 2.377 -0.403 5.785 1.00 0.00 O ATOM 1482 CB CYS A 92 1.339 -0.216 2.727 1.00 0.00 C ATOM 1483 SG CYS A 92 2.264 1.307 3.031 1.00 0.00 S ATOM 0 H CYS A 92 0.126 0.870 4.806 1.00 0.00 H new ATOM 0 HA CYS A 92 0.399 -1.869 3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 92 1.967 -0.902 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 92 0.474 0.015 2.105 1.00 0.00 H new ATOM 0 HG CYS A 92 3.222 1.414 2.159 1.00 0.00 H new ATOM 1489 N GLU A 93 2.681 -2.356 4.709 1.00 0.00 N ATOM 1490 CA GLU A 93 3.829 -2.748 5.518 1.00 0.00 C ATOM 1491 C GLU A 93 4.851 -3.511 4.680 1.00 0.00 C ATOM 1492 O GLU A 93 4.530 -4.527 4.063 1.00 0.00 O ATOM 1493 CB GLU A 93 3.378 -3.609 6.700 1.00 0.00 C ATOM 1494 CG GLU A 93 2.573 -2.845 7.738 1.00 0.00 C ATOM 1495 CD GLU A 93 1.093 -2.800 7.411 1.00 0.00 C ATOM 1496 OE1 GLU A 93 0.742 -2.960 6.224 1.00 0.00 O ATOM 1497 OE2 GLU A 93 0.286 -2.604 8.344 1.00 0.00 O ATOM 0 H GLU A 93 2.420 -3.032 3.991 1.00 0.00 H new ATOM 0 HA GLU A 93 4.300 -1.841 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.778 -4.439 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.256 -4.041 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.712 -3.310 8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.956 -1.827 7.812 1.00 0.00 H new ATOM 1504 N VAL A 94 6.083 -3.013 4.662 1.00 0.00 N ATOM 1505 CA VAL A 94 7.153 -3.647 3.901 1.00 0.00 C ATOM 1506 C VAL A 94 8.333 -3.998 4.799 1.00 0.00 C ATOM 1507 O VAL A 94 9.113 -3.128 5.189 1.00 0.00 O ATOM 1508 CB VAL A 94 7.644 -2.737 2.759 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.699 -3.448 1.926 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.476 -2.295 1.891 1.00 0.00 C ATOM 0 H VAL A 94 6.365 -2.172 5.166 1.00 0.00 H new ATOM 0 HA VAL A 94 6.740 -4.562 3.476 1.00 0.00 H new ATOM 0 HB VAL A 94 8.099 -1.848 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.034 -2.790 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.547 -3.709 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.273 -4.355 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.841 -1.653 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.990 -3.171 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.759 -1.744 2.499 1.00 0.00 H new ATOM 1520 N THR A 95 8.461 -5.281 5.125 1.00 0.00 N ATOM 1521 CA THR A 95 9.546 -5.748 5.978 1.00 0.00 C ATOM 1522 C THR A 95 10.737 -6.214 5.148 1.00 0.00 C ATOM 1523 O THR A 95 10.593 -7.043 4.249 1.00 0.00 O ATOM 1524 CB THR A 95 9.087 -6.902 6.890 1.00 0.00 C ATOM 1525 OG1 THR A 95 7.704 -6.740 7.225 1.00 0.00 O ATOM 1526 CG2 THR A 95 9.920 -6.952 8.161 1.00 0.00 C ATOM 0 H THR A 95 7.826 -6.015 4.811 1.00 0.00 H new ATOM 0 HA THR A 95 9.847 -4.903 6.597 1.00 0.00 H new ATOM 0 HB THR A 95 9.223 -7.839 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.419 -7.478 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.577 -7.775 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.968 -7.105 7.903 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.813 -6.013 8.704 1.00 0.00 H new ATOM 1534 N TYR A 96 11.912 -5.677 5.455 1.00 0.00 N ATOM 1535 CA TYR A 96 13.128 -6.037 4.735 1.00 0.00 C ATOM 1536 C TYR A 96 14.144 -6.683 5.672 1.00 0.00 C ATOM 1537 O TYR A 96 13.880 -6.873 6.859 1.00 0.00 O ATOM 1538 CB TYR A 96 13.740 -4.801 4.075 1.00 0.00 C ATOM 1539 CG TYR A 96 14.700 -5.126 2.953 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.413 -6.127 2.035 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.895 -4.430 2.812 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.287 -6.428 1.009 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.775 -4.723 1.788 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.467 -5.723 0.889 1.00 0.00 C ATOM 1545 OH TYR A 96 17.340 -6.019 -0.132 1.00 0.00 O ATOM 0 H TYR A 96 12.049 -4.991 6.197 1.00 0.00 H new ATOM 0 HA TYR A 96 12.863 -6.759 3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.939 -4.173 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.263 -4.217 4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.490 -6.680 2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.140 -3.647 3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.048 -7.211 0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.699 -4.172 1.692 1.00 0.00 H new ATOM 0 HH TYR A 96 16.838 -6.352 -0.905 1.00 0.00 H new ATOM 1555 N LYS A 97 15.310 -7.018 5.129 1.00 0.00 N ATOM 1556 CA LYS A 97 16.369 -7.642 5.914 1.00 0.00 C ATOM 1557 C LYS A 97 16.997 -6.637 6.875 1.00 0.00 C ATOM 1558 O LYS A 97 17.000 -6.843 8.089 1.00 0.00 O ATOM 1559 CB LYS A 97 17.443 -8.220 4.990 1.00 0.00 C ATOM 1560 CG LYS A 97 16.908 -8.670 3.642 1.00 0.00 C ATOM 1561 CD LYS A 97 15.675 -9.544 3.795 1.00 0.00 C ATOM 1562 CE LYS A 97 16.047 -11.009 3.965 1.00 0.00 C ATOM 1563 NZ LYS A 97 15.049 -11.743 4.792 1.00 0.00 N ATOM 0 H LYS A 97 15.545 -6.868 4.148 1.00 0.00 H new ATOM 0 HA LYS A 97 15.928 -8.450 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.217 -7.469 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.918 -9.068 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.663 -7.797 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.682 -9.221 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.097 -9.212 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.036 -9.429 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.123 -11.480 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.029 -11.082 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.339 -12.738 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.994 -11.310 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.116 -11.695 4.334 1.00 0.00 H new ATOM 1577 N ASP A 98 17.527 -5.550 6.324 1.00 0.00 N ATOM 1578 CA ASP A 98 18.155 -4.512 7.133 1.00 0.00 C ATOM 1579 C ASP A 98 17.145 -3.877 8.083 1.00 0.00 C ATOM 1580 O ASP A 98 17.180 -4.111 9.292 1.00 0.00 O ATOM 1581 CB ASP A 98 18.773 -3.440 6.234 1.00 0.00 C ATOM 1582 CG ASP A 98 18.022 -3.277 4.927 1.00 0.00 C ATOM 1583 OD1 ASP A 98 18.188 -4.137 4.038 1.00 0.00 O ATOM 1584 OD2 ASP A 98 17.270 -2.289 4.794 1.00 0.00 O ATOM 0 H ASP A 98 17.534 -5.365 5.321 1.00 0.00 H new ATOM 0 HA ASP A 98 18.943 -4.976 7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.784 -2.488 6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 98 19.810 -3.700 6.024 1.00 0.00 H new ATOM 1589 N LYS A 99 16.245 -3.072 7.530 1.00 0.00 N ATOM 1590 CA LYS A 99 15.223 -2.403 8.326 1.00 0.00 C ATOM 1591 C LYS A 99 13.846 -2.565 7.692 1.00 0.00 C ATOM 1592 O LYS A 99 13.725 -3.016 6.553 1.00 0.00 O ATOM 1593 CB LYS A 99 15.556 -0.916 8.474 1.00 0.00 C ATOM 1594 CG LYS A 99 17.007 -0.651 8.838 1.00 0.00 C ATOM 1595 CD LYS A 99 17.862 -0.439 7.600 1.00 0.00 C ATOM 1596 CE LYS A 99 17.923 1.030 7.209 1.00 0.00 C ATOM 1597 NZ LYS A 99 18.601 1.227 5.898 1.00 0.00 N ATOM 0 H LYS A 99 16.202 -2.867 6.532 1.00 0.00 H new ATOM 0 HA LYS A 99 15.206 -2.866 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.326 -0.406 7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.913 -0.483 9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.068 0.229 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.398 -1.491 9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 99 18.870 -0.809 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.456 -1.020 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.912 1.435 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.453 1.589 7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.622 2.241 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.574 0.864 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.081 0.714 5.158 1.00 0.00 H new ATOM 1611 N PHE A 100 12.809 -2.193 8.437 1.00 0.00 N ATOM 1612 CA PHE A 100 11.440 -2.297 7.947 1.00 0.00 C ATOM 1613 C PHE A 100 10.769 -0.927 7.910 1.00 0.00 C ATOM 1614 O PHE A 100 11.096 -0.043 8.702 1.00 0.00 O ATOM 1615 CB PHE A 100 10.631 -3.250 8.829 1.00 0.00 C ATOM 1616 CG PHE A 100 9.214 -2.805 9.051 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.229 -3.093 8.120 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.866 -2.097 10.190 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.924 -2.685 8.320 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.563 -1.686 10.397 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.591 -1.980 9.460 1.00 0.00 C ATOM 0 H PHE A 100 12.892 -1.817 9.382 1.00 0.00 H new ATOM 0 HA PHE A 100 11.474 -2.693 6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.625 -4.239 8.371 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.128 -3.349 9.794 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.484 -3.643 7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.622 -1.864 10.925 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.166 -2.917 7.586 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.305 -1.136 11.290 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.572 -1.659 9.619 1.00 0.00 H new ATOM 1631 N ASP A 101 9.831 -0.759 6.986 1.00 0.00 N ATOM 1632 CA ASP A 101 9.113 0.503 6.845 1.00 0.00 C ATOM 1633 C ASP A 101 7.649 0.259 6.495 1.00 0.00 C ATOM 1634 O ASP A 101 7.309 -0.744 5.868 1.00 0.00 O ATOM 1635 CB ASP A 101 9.770 1.371 5.771 1.00 0.00 C ATOM 1636 CG ASP A 101 9.562 2.853 6.017 1.00 0.00 C ATOM 1637 OD1 ASP A 101 9.612 3.272 7.192 1.00 0.00 O ATOM 1638 OD2 ASP A 101 9.351 3.593 5.034 1.00 0.00 O ATOM 0 H ASP A 101 9.549 -1.481 6.323 1.00 0.00 H new ATOM 0 HA ASP A 101 9.157 1.026 7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.838 1.157 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.363 1.107 4.795 1.00 0.00 H new ATOM 1643 N SER A 102 6.786 1.184 6.904 1.00 0.00 N ATOM 1644 CA SER A 102 5.357 1.067 6.638 1.00 0.00 C ATOM 1645 C SER A 102 4.725 2.442 6.447 1.00 0.00 C ATOM 1646 O SER A 102 5.367 3.469 6.674 1.00 0.00 O ATOM 1647 CB SER A 102 4.662 0.329 7.784 1.00 0.00 C ATOM 1648 OG SER A 102 4.659 1.109 8.966 1.00 0.00 O ATOM 0 H SER A 102 7.052 2.022 7.421 1.00 0.00 H new ATOM 0 HA SER A 102 5.230 0.497 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.637 0.091 7.499 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.169 -0.618 7.971 1.00 0.00 H new ATOM 0 HG SER A 102 4.208 0.615 9.682 1.00 0.00 H new ATOM 1654 N CYS A 103 3.464 2.455 6.030 1.00 0.00 N ATOM 1655 CA CYS A 103 2.745 3.704 5.807 1.00 0.00 C ATOM 1656 C CYS A 103 1.240 3.496 5.942 1.00 0.00 C ATOM 1657 O CYS A 103 0.766 2.364 6.045 1.00 0.00 O ATOM 1658 CB CYS A 103 3.073 4.266 4.423 1.00 0.00 C ATOM 1659 SG CYS A 103 2.939 6.065 4.306 1.00 0.00 S ATOM 0 H CYS A 103 2.918 1.615 5.839 1.00 0.00 H new ATOM 0 HA CYS A 103 3.064 4.419 6.565 1.00 0.00 H new ATOM 0 HB2 CYS A 103 4.087 3.970 4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.403 3.814 3.691 1.00 0.00 H new ATOM 0 HG CYS A 103 2.053 6.377 3.407 1.00 0.00 H new ATOM 1665 N SER A 104 0.493 4.595 5.941 1.00 0.00 N ATOM 1666 CA SER A 104 -0.958 4.534 6.068 1.00 0.00 C ATOM 1667 C SER A 104 -1.629 5.528 5.125 1.00 0.00 C ATOM 1668 O SER A 104 -1.087 6.597 4.844 1.00 0.00 O ATOM 1669 CB SER A 104 -1.377 4.821 7.512 1.00 0.00 C ATOM 1670 OG SER A 104 -1.050 6.148 7.884 1.00 0.00 O ATOM 0 H SER A 104 0.869 5.539 5.854 1.00 0.00 H new ATOM 0 HA SER A 104 -1.280 3.529 5.796 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.450 4.664 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.882 4.119 8.184 1.00 0.00 H new ATOM 0 HG SER A 104 -1.329 6.306 8.810 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.812 5.167 4.640 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.558 6.026 3.727 1.00 0.00 C ATOM 1678 C PHE A 105 -5.055 5.748 3.820 1.00 0.00 C ATOM 1679 O PHE A 105 -5.497 4.933 4.630 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.077 5.817 2.289 1.00 0.00 C ATOM 1681 CG PHE A 105 -2.861 4.374 1.933 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.814 3.659 2.491 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.704 3.733 1.040 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.612 2.330 2.166 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.507 2.405 0.711 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.459 1.703 1.274 1.00 0.00 C ATOM 0 H PHE A 105 -3.275 4.286 4.864 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.380 7.062 4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.808 6.246 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.145 6.362 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.148 4.145 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.524 4.277 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.793 1.783 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.172 1.917 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.302 0.666 1.017 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.831 6.431 2.985 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.279 6.258 2.971 1.00 0.00 C ATOM 1698 C ASP A 106 -7.800 6.154 1.542 1.00 0.00 C ATOM 1699 O ASP A 106 -7.336 6.862 0.647 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.959 7.422 3.692 1.00 0.00 C ATOM 1701 CG ASP A 106 -8.215 8.602 2.774 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -7.232 9.208 2.300 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -9.399 8.919 2.531 1.00 0.00 O ATOM 0 H ASP A 106 -5.481 7.110 2.309 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.515 5.330 3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.905 7.082 4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.335 7.743 4.526 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.767 5.267 1.333 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.351 5.069 0.011 1.00 0.00 C ATOM 1710 C LEU A 107 -10.802 5.539 -0.018 1.00 0.00 C ATOM 1711 O LEU A 107 -11.543 5.357 0.947 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.273 3.594 -0.387 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.109 3.309 -1.880 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -9.077 1.811 -2.138 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -10.229 3.965 -2.674 1.00 0.00 C ATOM 0 H LEU A 107 -9.163 4.674 2.062 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.781 5.662 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.436 3.139 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.179 3.096 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.160 3.733 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.960 1.628 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.240 1.367 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.009 1.362 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.096 3.752 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.189 3.571 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.205 5.043 -2.515 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.200 6.142 -1.134 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.563 6.637 -1.289 1.00 0.00 C ATOM 1729 C GLU A 108 -13.258 5.958 -2.466 1.00 0.00 C ATOM 1730 O GLU A 108 -12.627 5.636 -3.473 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.559 8.154 -1.492 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.630 8.941 -0.194 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.691 10.439 -0.423 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -13.248 10.857 -1.460 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -12.183 11.192 0.433 1.00 0.00 O ATOM 0 H GLU A 108 -10.599 6.299 -1.943 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.113 6.401 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.655 8.438 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.405 8.430 -2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.509 8.627 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.759 8.706 0.417 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.563 5.742 -2.331 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.344 5.102 -3.382 1.00 0.00 C ATOM 1744 C VAL A 109 -16.622 5.883 -3.670 1.00 0.00 C ATOM 1745 O VAL A 109 -17.448 6.092 -2.782 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.715 3.655 -3.004 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.494 2.992 -4.129 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.465 2.857 -2.668 1.00 0.00 C ATOM 0 H VAL A 109 -15.101 6.001 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.720 5.088 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.352 3.680 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.747 1.971 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.409 3.553 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.885 2.976 -5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.745 1.837 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.802 2.838 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.951 3.322 -1.827 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.777 6.312 -4.919 1.00 0.00 N ATOM 1759 CA HIS A 110 -17.955 7.070 -5.325 1.00 0.00 C ATOM 1760 C HIS A 110 -18.927 6.188 -6.103 1.00 0.00 C ATOM 1761 O HIS A 110 -18.513 5.307 -6.855 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.546 8.272 -6.177 1.00 0.00 C ATOM 1763 CG HIS A 110 -16.762 9.302 -5.423 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.584 10.592 -5.876 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.110 9.226 -4.239 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -15.854 11.265 -5.004 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.554 10.459 -4.001 1.00 0.00 N ATOM 0 H HIS A 110 -16.102 6.148 -5.666 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.455 7.426 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.953 7.923 -7.022 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.442 8.738 -6.587 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.040 8.358 -3.601 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.554 12.298 -5.096 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.000 10.711 -3.183 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.221 6.431 -5.914 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.250 5.657 -6.598 1.00 0.00 C ATOM 1778 C GLU A 111 -21.193 5.887 -8.105 1.00 0.00 C ATOM 1779 O GLU A 111 -21.177 7.026 -8.570 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.636 6.029 -6.066 1.00 0.00 C ATOM 1781 CG GLU A 111 -22.832 5.700 -4.595 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.292 5.715 -4.184 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.114 5.097 -4.891 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.610 6.345 -3.154 1.00 0.00 O ATOM 0 H GLU A 111 -20.581 7.157 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.064 4.601 -6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.799 7.096 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.393 5.506 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.410 4.717 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.280 6.419 -3.989 1.00 0.00 H new ATOM 1791 N SER A 112 -21.163 4.795 -8.863 1.00 0.00 N ATOM 1792 CA SER A 112 -21.103 4.877 -10.318 1.00 0.00 C ATOM 1793 C SER A 112 -22.459 5.269 -10.896 1.00 0.00 C ATOM 1794 O SER A 112 -23.025 4.555 -11.725 1.00 0.00 O ATOM 1795 CB SER A 112 -20.653 3.538 -10.907 1.00 0.00 C ATOM 1796 OG SER A 112 -20.546 3.612 -12.318 1.00 0.00 O ATOM 0 H SER A 112 -21.179 3.844 -8.494 1.00 0.00 H new ATOM 0 HA SER A 112 -20.378 5.646 -10.585 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.691 3.255 -10.481 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.365 2.759 -10.633 1.00 0.00 H new ATOM 0 HG SER A 112 -21.416 3.851 -12.700 1.00 0.00 H new ATOM 1802 N THR A 113 -22.977 6.410 -10.453 1.00 0.00 N ATOM 1803 CA THR A 113 -24.267 6.899 -10.924 1.00 0.00 C ATOM 1804 C THR A 113 -24.098 8.113 -11.830 1.00 0.00 C ATOM 1805 O THR A 113 -23.140 8.874 -11.692 1.00 0.00 O ATOM 1806 CB THR A 113 -25.189 7.274 -9.748 1.00 0.00 C ATOM 1807 OG1 THR A 113 -24.494 8.131 -8.835 1.00 0.00 O ATOM 1808 CG2 THR A 113 -25.669 6.029 -9.018 1.00 0.00 C ATOM 0 H THR A 113 -22.522 7.014 -9.768 1.00 0.00 H new ATOM 0 HA THR A 113 -24.725 6.088 -11.490 1.00 0.00 H new ATOM 0 HB THR A 113 -26.057 7.798 -10.148 1.00 0.00 H new ATOM 0 HG1 THR A 113 -25.087 8.366 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 113 -26.318 6.319 -8.192 1.00 0.00 H new ATOM 0 HG22 THR A 113 -26.223 5.393 -9.709 1.00 0.00 H new ATOM 0 HG23 THR A 113 -24.810 5.481 -8.629 1.00 0.00 H new ATOM 1816 N GLY A 114 -25.034 8.289 -12.757 1.00 0.00 N ATOM 1817 CA GLY A 114 -24.970 9.414 -13.672 1.00 0.00 C ATOM 1818 C GLY A 114 -26.335 9.814 -14.195 1.00 0.00 C ATOM 1819 O GLY A 114 -26.466 10.258 -15.336 1.00 0.00 O ATOM 0 H GLY A 114 -25.836 7.673 -12.891 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -24.515 10.265 -13.165 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -24.323 9.159 -14.511 1.00 0.00 H new ATOM 1823 N THR A 115 -27.358 9.655 -13.361 1.00 0.00 N ATOM 1824 CA THR A 115 -28.720 10.000 -13.746 1.00 0.00 C ATOM 1825 C THR A 115 -29.061 11.429 -13.342 1.00 0.00 C ATOM 1826 O THR A 115 -29.098 11.759 -12.156 1.00 0.00 O ATOM 1827 CB THR A 115 -29.744 9.040 -13.110 1.00 0.00 C ATOM 1828 OG1 THR A 115 -31.065 9.368 -13.556 1.00 0.00 O ATOM 1829 CG2 THR A 115 -29.683 9.113 -11.592 1.00 0.00 C ATOM 0 H THR A 115 -27.268 9.289 -12.413 1.00 0.00 H new ATOM 0 HA THR A 115 -28.774 9.910 -14.831 1.00 0.00 H new ATOM 0 HB THR A 115 -29.498 8.024 -13.419 1.00 0.00 H new ATOM 0 HG1 THR A 115 -31.710 8.753 -13.149 1.00 0.00 H new ATOM 0 HG21 THR A 115 -30.415 8.427 -11.165 1.00 0.00 H new ATOM 0 HG22 THR A 115 -28.685 8.835 -11.254 1.00 0.00 H new ATOM 0 HG23 THR A 115 -29.906 10.129 -11.267 1.00 0.00 H new ATOM 1837 N THR A 116 -29.311 12.277 -14.335 1.00 0.00 N ATOM 1838 CA THR A 116 -29.649 13.672 -14.082 1.00 0.00 C ATOM 1839 C THR A 116 -30.544 14.229 -15.183 1.00 0.00 C ATOM 1840 O THR A 116 -30.402 13.896 -16.360 1.00 0.00 O ATOM 1841 CB THR A 116 -28.384 14.545 -13.973 1.00 0.00 C ATOM 1842 OG1 THR A 116 -27.506 14.275 -15.072 1.00 0.00 O ATOM 1843 CG2 THR A 116 -27.659 14.285 -12.662 1.00 0.00 C ATOM 0 H THR A 116 -29.286 12.022 -15.322 1.00 0.00 H new ATOM 0 HA THR A 116 -30.185 13.701 -13.133 1.00 0.00 H new ATOM 0 HB THR A 116 -28.688 15.591 -14.000 1.00 0.00 H new ATOM 0 HG1 THR A 116 -26.705 14.835 -14.996 1.00 0.00 H new ATOM 0 HG21 THR A 116 -26.769 14.912 -12.608 1.00 0.00 H new ATOM 0 HG22 THR A 116 -28.320 14.520 -11.828 1.00 0.00 H new ATOM 0 HG23 THR A 116 -27.367 13.236 -12.610 1.00 0.00 H new ATOM 1851 N PRO A 117 -31.488 15.099 -14.796 1.00 0.00 N ATOM 1852 CA PRO A 117 -32.425 15.722 -15.736 1.00 0.00 C ATOM 1853 C PRO A 117 -31.740 16.726 -16.657 1.00 0.00 C ATOM 1854 O PRO A 117 -30.582 17.085 -16.447 1.00 0.00 O ATOM 1855 CB PRO A 117 -33.426 16.431 -14.822 1.00 0.00 C ATOM 1856 CG PRO A 117 -32.673 16.691 -13.563 1.00 0.00 C ATOM 1857 CD PRO A 117 -31.715 15.541 -13.410 1.00 0.00 C ATOM 0 HA PRO A 117 -32.881 14.990 -16.403 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -33.782 17.359 -15.269 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -34.302 15.810 -14.638 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -32.139 17.640 -13.616 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -33.348 16.753 -12.710 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -30.787 15.852 -12.930 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -32.138 14.744 -12.798 1.00 0.00 H new ATOM 1865 N ASN A 118 -32.463 17.176 -17.677 1.00 0.00 N ATOM 1866 CA ASN A 118 -31.924 18.139 -18.630 1.00 0.00 C ATOM 1867 C ASN A 118 -32.487 19.534 -18.371 1.00 0.00 C ATOM 1868 O ASN A 118 -33.614 19.681 -17.897 1.00 0.00 O ATOM 1869 CB ASN A 118 -32.244 17.705 -20.062 1.00 0.00 C ATOM 1870 CG ASN A 118 -31.883 16.256 -20.321 1.00 0.00 C ATOM 1871 OD1 ASN A 118 -32.475 15.344 -19.743 1.00 0.00 O ATOM 1872 ND2 ASN A 118 -30.905 16.036 -21.193 1.00 0.00 N ATOM 0 H ASN A 118 -33.424 16.889 -17.865 1.00 0.00 H new ATOM 0 HA ASN A 118 -30.842 18.173 -18.501 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -33.307 17.852 -20.254 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -31.703 18.342 -20.761 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -30.617 15.081 -21.407 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -30.442 16.822 -21.649 1.00 0.00 H new ATOM 1879 N ILE A 119 -31.695 20.553 -18.687 1.00 0.00 N ATOM 1880 CA ILE A 119 -32.115 21.935 -18.490 1.00 0.00 C ATOM 1881 C ILE A 119 -31.580 22.835 -19.599 1.00 0.00 C ATOM 1882 O ILE A 119 -30.413 22.743 -19.978 1.00 0.00 O ATOM 1883 CB ILE A 119 -31.642 22.479 -17.129 1.00 0.00 C ATOM 1884 CG1 ILE A 119 -32.193 21.618 -15.991 1.00 0.00 C ATOM 1885 CG2 ILE A 119 -32.072 23.929 -16.960 1.00 0.00 C ATOM 1886 CD1 ILE A 119 -31.488 21.837 -14.671 1.00 0.00 C ATOM 0 H ILE A 119 -30.760 20.448 -19.080 1.00 0.00 H new ATOM 0 HA ILE A 119 -33.205 21.940 -18.515 1.00 0.00 H new ATOM 0 HB ILE A 119 -30.553 22.437 -17.096 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -33.255 21.831 -15.866 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -32.109 20.567 -16.268 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -31.731 24.299 -15.993 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -31.635 24.533 -17.755 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -33.159 23.994 -17.010 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -31.931 21.194 -13.911 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -30.431 21.596 -14.779 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -31.594 22.879 -14.371 1.00 0.00 H new ATOM 1898 N ASP A 120 -32.441 23.706 -20.113 1.00 0.00 N ATOM 1899 CA ASP A 120 -32.055 24.626 -21.177 1.00 0.00 C ATOM 1900 C ASP A 120 -32.183 26.074 -20.716 1.00 0.00 C ATOM 1901 O ASP A 120 -32.726 26.350 -19.646 1.00 0.00 O ATOM 1902 CB ASP A 120 -32.918 24.395 -22.418 1.00 0.00 C ATOM 1903 CG ASP A 120 -34.332 24.915 -22.246 1.00 0.00 C ATOM 1904 OD1 ASP A 120 -35.007 24.492 -21.284 1.00 0.00 O ATOM 1905 OD2 ASP A 120 -34.763 25.745 -23.073 1.00 0.00 O ATOM 0 H ASP A 120 -33.411 23.795 -19.810 1.00 0.00 H new ATOM 0 HA ASP A 120 -31.012 24.434 -21.429 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -32.456 24.885 -23.275 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -32.951 23.328 -22.641 1.00 0.00 H new ATOM 1910 N SER A 121 -31.679 26.996 -21.530 1.00 0.00 N ATOM 1911 CA SER A 121 -31.732 28.416 -21.203 1.00 0.00 C ATOM 1912 C SER A 121 -33.129 28.977 -21.447 1.00 0.00 C ATOM 1913 O SER A 121 -33.494 30.022 -20.909 1.00 0.00 O ATOM 1914 CB SER A 121 -30.707 29.191 -22.033 1.00 0.00 C ATOM 1915 OG SER A 121 -29.388 28.940 -21.578 1.00 0.00 O ATOM 0 H SER A 121 -31.229 26.785 -22.421 1.00 0.00 H new ATOM 0 HA SER A 121 -31.493 28.529 -20.146 1.00 0.00 H new ATOM 0 HB2 SER A 121 -30.794 28.907 -23.082 1.00 0.00 H new ATOM 0 HB3 SER A 121 -30.919 30.259 -21.974 1.00 0.00 H new ATOM 0 HG SER A 121 -28.751 29.445 -22.126 1.00 0.00 H new ATOM 1921 N GLY A 122 -33.908 28.275 -22.265 1.00 0.00 N ATOM 1922 CA GLY A 122 -35.257 28.718 -22.567 1.00 0.00 C ATOM 1923 C GLY A 122 -35.278 29.989 -23.393 1.00 0.00 C ATOM 1924 O GLY A 122 -35.666 31.056 -22.919 1.00 0.00 O ATOM 0 H GLY A 122 -33.629 27.408 -22.724 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -35.783 27.930 -23.105 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -35.799 28.884 -21.636 1.00 0.00 H new ATOM 1928 N PRO A 123 -34.851 29.883 -24.660 1.00 0.00 N ATOM 1929 CA PRO A 123 -34.812 31.023 -25.580 1.00 0.00 C ATOM 1930 C PRO A 123 -36.206 31.489 -25.986 1.00 0.00 C ATOM 1931 O PRO A 123 -36.860 30.867 -26.823 1.00 0.00 O ATOM 1932 CB PRO A 123 -34.057 30.474 -26.794 1.00 0.00 C ATOM 1933 CG PRO A 123 -34.288 29.003 -26.750 1.00 0.00 C ATOM 1934 CD PRO A 123 -34.374 28.641 -25.293 1.00 0.00 C ATOM 0 HA PRO A 123 -34.342 31.896 -25.127 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -34.432 30.906 -27.722 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -32.994 30.710 -26.739 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -35.206 28.736 -27.273 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -33.475 28.465 -27.238 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -35.063 27.814 -25.125 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -33.406 28.335 -24.897 1.00 0.00 H new ATOM 1942 N SER A 124 -36.656 32.587 -25.387 1.00 0.00 N ATOM 1943 CA SER A 124 -37.974 33.134 -25.684 1.00 0.00 C ATOM 1944 C SER A 124 -37.996 33.782 -27.065 1.00 0.00 C ATOM 1945 O SER A 124 -38.795 33.411 -27.925 1.00 0.00 O ATOM 1946 CB SER A 124 -38.375 34.160 -24.622 1.00 0.00 C ATOM 1947 OG SER A 124 -38.664 33.528 -23.386 1.00 0.00 O ATOM 0 H SER A 124 -36.127 33.115 -24.693 1.00 0.00 H new ATOM 0 HA SER A 124 -38.690 32.312 -25.676 1.00 0.00 H new ATOM 0 HB2 SER A 124 -37.569 34.881 -24.486 1.00 0.00 H new ATOM 0 HB3 SER A 124 -39.248 34.718 -24.962 1.00 0.00 H new ATOM 0 HG SER A 124 -38.916 34.205 -22.724 1.00 0.00 H new ATOM 1953 N SER A 125 -37.111 34.752 -27.271 1.00 0.00 N ATOM 1954 CA SER A 125 -37.029 35.455 -28.546 1.00 0.00 C ATOM 1955 C SER A 125 -36.731 34.483 -29.684 1.00 0.00 C ATOM 1956 O SER A 125 -35.710 33.796 -29.677 1.00 0.00 O ATOM 1957 CB SER A 125 -35.949 36.537 -28.488 1.00 0.00 C ATOM 1958 OG SER A 125 -34.680 35.976 -28.201 1.00 0.00 O ATOM 0 H SER A 125 -36.440 35.069 -26.571 1.00 0.00 H new ATOM 0 HA SER A 125 -37.994 35.925 -28.736 1.00 0.00 H new ATOM 0 HB2 SER A 125 -35.909 37.067 -29.440 1.00 0.00 H new ATOM 0 HB3 SER A 125 -36.206 37.272 -27.725 1.00 0.00 H new ATOM 0 HG SER A 125 -34.639 35.063 -28.554 1.00 0.00 H new ATOM 1964 N GLY A 126 -37.631 34.432 -30.662 1.00 0.00 N ATOM 1965 CA GLY A 126 -37.447 33.542 -31.793 1.00 0.00 C ATOM 1966 C GLY A 126 -36.746 34.218 -32.955 1.00 0.00 C ATOM 1967 O GLY A 126 -35.816 33.660 -33.537 1.00 0.00 O ATOM 0 H GLY A 126 -38.484 34.991 -30.691 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -36.867 32.674 -31.478 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -38.418 33.174 -32.123 1.00 0.00 H new TER 1971 GLY A 126