USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 543 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 46 CYS SG : rot 140:sc= -1.97 USER MOD Set 1.2: A 52 CYS SG : rot 144:sc= 0.992 USER MOD Set 1.3: A 62 CYS SG : rot -154:sc= 0.765 USER MOD Set 1.4: A 65 CYS SG : rot 147:sc= 0.877 USER MOD Set 2.1: A 10 CYS SG : rot -1:sc= 1.18 USER MOD Set 2.2: A 13 CYS SG : rot -45:sc= 1.61 USER MOD Set 2.3: A 27 CYS SG : rot -128:sc= 1.35 USER MOD Set 2.4: A 30 CYS SG : rot 138:sc= 0.586 USER MOD Set 2.5: A 56 GLN :FLIP amide:sc= -2.15! C(o=1.7!,f=2.6!) USER MOD Set 3.1: A 26 THR OG1 : rot 21:sc= -0.0365 USER MOD Set 3.2: A 75 MET CE :methyl -147:sc= -3.06! (180deg=-3.91!) USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.0413 (180deg=-0.302) USER MOD Single : A 17 SER OG : rot 64:sc= 0.111 USER MOD Single : A 18 SER OG : rot -160:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -0.11 K(o=-0.11,f=-0.82) USER MOD Single : A 22 TYR OH : rot -172:sc= -0.319 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.912 F(o=-1.9,f=-0.91) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00755) USER MOD Single : A 37 SER OG : rot -30:sc= 0.789 USER MOD Single : A 41 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.4) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -30:sc= -1.09 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.134 K(o=0.13,f=-6.4!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.242 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -155:sc= -0.138 (180deg=-1.33) USER MOD Single : A 70 CYS SG : rot 53:sc= -0.178 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -7.055 15.310 2.627 1.00 0.00 N ATOM 67 CA ILE A 8 -6.657 14.189 3.470 1.00 0.00 C ATOM 68 C ILE A 8 -5.381 13.536 2.949 1.00 0.00 C ATOM 69 O ILE A 8 -5.051 13.651 1.769 1.00 0.00 O ATOM 70 CB ILE A 8 -7.768 13.126 3.553 1.00 0.00 C ATOM 71 CG1 ILE A 8 -9.124 13.792 3.796 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.459 12.123 4.655 1.00 0.00 C ATOM 73 CD1 ILE A 8 -10.302 12.889 3.502 1.00 0.00 C ATOM 0 HA ILE A 8 -6.475 14.591 4.467 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.812 12.592 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.178 14.120 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.197 14.685 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.253 11.378 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.510 11.630 4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.392 12.642 5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.230 13.427 3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.273 12.582 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.253 12.007 4.141 1.00 0.00 H new ATOM 85 N GLU A 9 -4.670 12.849 3.837 1.00 0.00 N ATOM 86 CA GLU A 9 -3.431 12.176 3.466 1.00 0.00 C ATOM 87 C GLU A 9 -3.534 10.673 3.710 1.00 0.00 C ATOM 88 O GLU A 9 -4.469 10.200 4.356 1.00 0.00 O ATOM 89 CB GLU A 9 -2.255 12.752 4.257 1.00 0.00 C ATOM 90 CG GLU A 9 -2.577 13.023 5.717 1.00 0.00 C ATOM 91 CD GLU A 9 -1.341 13.037 6.595 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.307 13.580 6.155 1.00 0.00 O ATOM 93 OE2 GLU A 9 -1.409 12.504 7.722 1.00 0.00 O ATOM 0 H GLU A 9 -4.930 12.744 4.818 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.261 12.344 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.416 12.058 4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.932 13.681 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.088 13.982 5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.267 12.262 6.080 1.00 0.00 H new ATOM 100 N CYS A 10 -2.566 9.927 3.187 1.00 0.00 N ATOM 101 CA CYS A 10 -2.546 8.478 3.346 1.00 0.00 C ATOM 102 C CYS A 10 -1.914 8.085 4.678 1.00 0.00 C ATOM 103 O CYS A 10 -0.776 8.454 4.971 1.00 0.00 O ATOM 104 CB CYS A 10 -1.778 7.828 2.193 1.00 0.00 C ATOM 105 SG CYS A 10 -1.807 6.007 2.214 1.00 0.00 S ATOM 0 H CYS A 10 -1.785 10.303 2.649 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.576 8.122 3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.197 8.177 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.742 8.165 2.225 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.477 5.596 3.249 1.00 0.00 H new ATOM 110 N VAL A 11 -2.660 7.334 5.482 1.00 0.00 N ATOM 111 CA VAL A 11 -2.173 6.890 6.783 1.00 0.00 C ATOM 112 C VAL A 11 -1.135 5.783 6.632 1.00 0.00 C ATOM 113 O VAL A 11 -0.700 5.186 7.617 1.00 0.00 O ATOM 114 CB VAL A 11 -3.325 6.380 7.669 1.00 0.00 C ATOM 115 CG1 VAL A 11 -4.241 7.528 8.067 1.00 0.00 C ATOM 116 CG2 VAL A 11 -4.106 5.289 6.953 1.00 0.00 C ATOM 0 H VAL A 11 -3.604 7.020 5.255 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.712 7.755 7.261 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.899 5.954 8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.049 7.149 8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.671 8.273 8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.660 7.986 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.916 4.941 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.522 5.687 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.441 4.456 6.724 1.00 0.00 H new ATOM 126 N VAL A 12 -0.741 5.514 5.391 1.00 0.00 N ATOM 127 CA VAL A 12 0.248 4.480 5.110 1.00 0.00 C ATOM 128 C VAL A 12 1.537 5.085 4.567 1.00 0.00 C ATOM 129 O VAL A 12 2.623 4.835 5.091 1.00 0.00 O ATOM 130 CB VAL A 12 -0.289 3.450 4.099 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.787 2.434 3.749 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.527 2.758 4.650 1.00 0.00 C ATOM 0 H VAL A 12 -1.092 5.998 4.564 1.00 0.00 H new ATOM 0 HA VAL A 12 0.457 3.977 6.054 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.570 3.976 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.389 1.714 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.643 2.947 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.102 1.911 4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.893 2.034 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.274 2.245 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.302 3.499 4.845 1.00 0.00 H new ATOM 142 N CYS A 13 1.410 5.884 3.512 1.00 0.00 N ATOM 143 CA CYS A 13 2.565 6.526 2.896 1.00 0.00 C ATOM 144 C CYS A 13 2.497 8.041 3.063 1.00 0.00 C ATOM 145 O CYS A 13 3.488 8.743 2.862 1.00 0.00 O ATOM 146 CB CYS A 13 2.640 6.169 1.410 1.00 0.00 C ATOM 147 SG CYS A 13 1.191 6.701 0.442 1.00 0.00 S ATOM 0 H CYS A 13 0.519 6.102 3.066 1.00 0.00 H new ATOM 0 HA CYS A 13 3.462 6.162 3.396 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.535 6.622 0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.752 5.089 1.312 1.00 0.00 H new ATOM 0 HG CYS A 13 0.104 6.399 1.087 1.00 0.00 H new ATOM 152 N GLY A 14 1.321 8.539 3.432 1.00 0.00 N ATOM 153 CA GLY A 14 1.146 9.967 3.620 1.00 0.00 C ATOM 154 C GLY A 14 0.611 10.655 2.380 1.00 0.00 C ATOM 155 O GLY A 14 0.238 11.827 2.423 1.00 0.00 O ATOM 0 H GLY A 14 0.486 7.979 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.462 10.140 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.101 10.414 3.896 1.00 0.00 H new ATOM 159 N ASP A 15 0.575 9.925 1.270 1.00 0.00 N ATOM 160 CA ASP A 15 0.083 10.471 0.011 1.00 0.00 C ATOM 161 C ASP A 15 -1.361 10.943 0.151 1.00 0.00 C ATOM 162 O ASP A 15 -2.178 10.294 0.805 1.00 0.00 O ATOM 163 CB ASP A 15 0.185 9.424 -1.099 1.00 0.00 C ATOM 164 CG ASP A 15 -0.208 9.976 -2.455 1.00 0.00 C ATOM 165 OD1 ASP A 15 -1.412 10.234 -2.664 1.00 0.00 O ATOM 166 OD2 ASP A 15 0.688 10.151 -3.307 1.00 0.00 O ATOM 0 H ASP A 15 0.881 8.953 1.217 1.00 0.00 H new ATOM 0 HA ASP A 15 0.703 11.328 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.207 9.047 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.456 8.577 -0.855 1.00 0.00 H new ATOM 171 N LYS A 16 -1.670 12.078 -0.467 1.00 0.00 N ATOM 172 CA LYS A 16 -3.015 12.638 -0.412 1.00 0.00 C ATOM 173 C LYS A 16 -4.065 11.556 -0.644 1.00 0.00 C ATOM 174 O LYS A 16 -4.235 11.073 -1.763 1.00 0.00 O ATOM 175 CB LYS A 16 -3.171 13.747 -1.456 1.00 0.00 C ATOM 176 CG LYS A 16 -4.225 14.778 -1.094 1.00 0.00 C ATOM 177 CD LYS A 16 -5.626 14.275 -1.401 1.00 0.00 C ATOM 178 CE LYS A 16 -6.642 15.407 -1.381 1.00 0.00 C ATOM 179 NZ LYS A 16 -6.436 16.357 -2.509 1.00 0.00 N ATOM 0 H LYS A 16 -1.006 12.628 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.166 13.059 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.213 14.250 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.428 13.298 -2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.149 15.021 -0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.039 15.699 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.635 13.794 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.910 13.517 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.649 14.992 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.568 15.944 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.297 16.923 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.639 16.988 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.228 15.825 -3.378 1.00 0.00 H new ATOM 193 N SER A 17 -4.767 11.181 0.420 1.00 0.00 N ATOM 194 CA SER A 17 -5.799 10.155 0.333 1.00 0.00 C ATOM 195 C SER A 17 -6.939 10.607 -0.575 1.00 0.00 C ATOM 196 O SER A 17 -7.246 11.796 -0.659 1.00 0.00 O ATOM 197 CB SER A 17 -6.340 9.826 1.725 1.00 0.00 C ATOM 198 OG SER A 17 -7.604 9.189 1.644 1.00 0.00 O ATOM 0 H SER A 17 -4.640 11.573 1.353 1.00 0.00 H new ATOM 0 HA SER A 17 -5.350 9.259 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.636 9.179 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.427 10.741 2.310 1.00 0.00 H new ATOM 0 HG SER A 17 -7.507 8.325 1.192 1.00 0.00 H new ATOM 204 N SER A 18 -7.563 9.648 -1.253 1.00 0.00 N ATOM 205 CA SER A 18 -8.667 9.947 -2.157 1.00 0.00 C ATOM 206 C SER A 18 -10.001 9.911 -1.417 1.00 0.00 C ATOM 207 O SER A 18 -10.996 10.466 -1.881 1.00 0.00 O ATOM 208 CB SER A 18 -8.688 8.949 -3.317 1.00 0.00 C ATOM 209 OG SER A 18 -7.896 9.409 -4.399 1.00 0.00 O ATOM 0 H SER A 18 -7.323 8.659 -1.193 1.00 0.00 H new ATOM 0 HA SER A 18 -8.518 10.952 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.318 7.982 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.714 8.797 -3.652 1.00 0.00 H new ATOM 0 HG SER A 18 -8.163 8.946 -5.220 1.00 0.00 H new ATOM 215 N GLY A 19 -10.012 9.253 -0.262 1.00 0.00 N ATOM 216 CA GLY A 19 -11.228 9.156 0.525 1.00 0.00 C ATOM 217 C GLY A 19 -11.132 8.105 1.613 1.00 0.00 C ATOM 218 O GLY A 19 -10.046 7.610 1.915 1.00 0.00 O ATOM 0 H GLY A 19 -9.201 8.785 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.443 10.124 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.065 8.919 -0.132 1.00 0.00 H new ATOM 222 N LYS A 20 -12.271 7.764 2.206 1.00 0.00 N ATOM 223 CA LYS A 20 -12.313 6.766 3.268 1.00 0.00 C ATOM 224 C LYS A 20 -12.434 5.360 2.688 1.00 0.00 C ATOM 225 O LYS A 20 -13.523 4.786 2.650 1.00 0.00 O ATOM 226 CB LYS A 20 -13.485 7.043 4.211 1.00 0.00 C ATOM 227 CG LYS A 20 -13.513 6.138 5.430 1.00 0.00 C ATOM 228 CD LYS A 20 -14.185 6.814 6.613 1.00 0.00 C ATOM 229 CE LYS A 20 -13.201 7.663 7.403 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.861 8.363 8.540 1.00 0.00 N ATOM 0 H LYS A 20 -13.178 8.165 1.969 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.381 6.830 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.437 8.081 4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.419 6.926 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.043 5.217 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.495 5.859 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.004 7.440 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.621 6.058 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.398 7.030 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.742 8.398 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.157 8.931 9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.610 8.986 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.277 7.661 9.185 1.00 0.00 H new ATOM 244 N HIS A 21 -11.310 4.811 2.239 1.00 0.00 N ATOM 245 CA HIS A 21 -11.291 3.471 1.664 1.00 0.00 C ATOM 246 C HIS A 21 -11.031 2.421 2.740 1.00 0.00 C ATOM 247 O HIS A 21 -9.975 2.416 3.374 1.00 0.00 O ATOM 248 CB HIS A 21 -10.223 3.376 0.574 1.00 0.00 C ATOM 249 CG HIS A 21 -10.328 4.452 -0.462 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.009 4.290 -1.650 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.834 5.712 -0.483 1.00 0.00 C ATOM 252 CE1 HIS A 21 -10.929 5.403 -2.357 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.221 6.282 -1.671 1.00 0.00 N ATOM 0 H HIS A 21 -10.401 5.273 2.262 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.269 3.278 1.222 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.237 3.424 1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.299 2.404 0.086 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -11.498 3.443 -1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.245 6.182 0.291 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.368 5.566 -3.330 1.00 0.00 H new ATOM 261 N TYR A 22 -11.999 1.534 2.941 1.00 0.00 N ATOM 262 CA TYR A 22 -11.876 0.482 3.943 1.00 0.00 C ATOM 263 C TYR A 22 -11.911 1.064 5.353 1.00 0.00 C ATOM 264 O TYR A 22 -11.163 0.639 6.231 1.00 0.00 O ATOM 265 CB TYR A 22 -10.578 -0.300 3.735 1.00 0.00 C ATOM 266 CG TYR A 22 -10.360 -0.743 2.306 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.316 -1.500 1.639 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.200 -0.403 1.621 1.00 0.00 C ATOM 269 CE1 TYR A 22 -11.121 -1.908 0.334 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.997 -0.805 0.315 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.960 -1.558 -0.324 1.00 0.00 C ATOM 272 OH TYR A 22 -9.762 -1.960 -1.625 1.00 0.00 O ATOM 0 H TYR A 22 -12.878 1.523 2.423 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.723 -0.194 3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.737 0.319 4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.585 -1.178 4.381 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.227 -1.774 2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.444 0.186 2.118 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.873 -2.498 -0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.090 -0.531 -0.203 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.846 -1.744 -1.898 1.00 0.00 H new ATOM 282 N GLY A 23 -12.789 2.042 5.560 1.00 0.00 N ATOM 283 CA GLY A 23 -12.908 2.668 6.864 1.00 0.00 C ATOM 284 C GLY A 23 -11.640 3.388 7.279 1.00 0.00 C ATOM 285 O GLY A 23 -11.439 3.673 8.459 1.00 0.00 O ATOM 0 H GLY A 23 -13.419 2.411 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.736 3.376 6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.151 1.909 7.607 1.00 0.00 H new ATOM 289 N GLN A 24 -10.782 3.680 6.307 1.00 0.00 N ATOM 290 CA GLN A 24 -9.526 4.370 6.578 1.00 0.00 C ATOM 291 C GLN A 24 -9.118 5.243 5.397 1.00 0.00 C ATOM 292 O GLN A 24 -9.225 4.832 4.241 1.00 0.00 O ATOM 293 CB GLN A 24 -8.421 3.358 6.886 1.00 0.00 C ATOM 294 CG GLN A 24 -7.340 3.899 7.808 1.00 0.00 C ATOM 295 CD GLN A 24 -7.907 4.514 9.073 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.553 3.693 9.893 1.00 0.00 O flip ATOM 297 NE2 GLN A 24 -7.765 5.713 9.311 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.933 3.450 5.325 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.673 5.012 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.866 2.474 7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.962 3.038 5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.658 3.092 8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.754 4.648 7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.261 6.307 8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.151 6.112 10.167 1.00 0.00 H new ATOM 306 N PHE A 25 -8.650 6.451 5.694 1.00 0.00 N ATOM 307 CA PHE A 25 -8.226 7.383 4.656 1.00 0.00 C ATOM 308 C PHE A 25 -6.873 6.977 4.079 1.00 0.00 C ATOM 309 O PHE A 25 -5.834 7.156 4.716 1.00 0.00 O ATOM 310 CB PHE A 25 -8.148 8.804 5.218 1.00 0.00 C ATOM 311 CG PHE A 25 -9.492 9.410 5.505 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.414 9.598 4.488 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.834 9.792 6.793 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.651 10.155 4.749 1.00 0.00 C ATOM 315 CE2 PHE A 25 -11.070 10.349 7.060 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.980 10.532 6.036 1.00 0.00 C ATOM 0 H PHE A 25 -8.555 6.807 6.645 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.965 7.356 3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.561 8.791 6.136 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.617 9.438 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.163 9.306 3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.126 9.653 7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.360 10.296 3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.325 10.641 8.068 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.946 10.969 6.242 1.00 0.00 H new ATOM 326 N THR A 26 -6.893 6.429 2.868 1.00 0.00 N ATOM 327 CA THR A 26 -5.670 5.996 2.205 1.00 0.00 C ATOM 328 C THR A 26 -5.684 6.368 0.727 1.00 0.00 C ATOM 329 O THR A 26 -6.743 6.422 0.100 1.00 0.00 O ATOM 330 CB THR A 26 -5.467 4.475 2.338 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.653 3.785 1.928 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.126 4.097 3.771 1.00 0.00 C ATOM 0 H THR A 26 -7.743 6.275 2.326 1.00 0.00 H new ATOM 0 HA THR A 26 -4.845 6.510 2.698 1.00 0.00 H new ATOM 0 HB THR A 26 -4.636 4.185 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.188 4.369 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.987 3.018 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.207 4.601 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.939 4.401 4.431 1.00 0.00 H new ATOM 340 N CYS A 27 -4.503 6.623 0.174 1.00 0.00 N ATOM 341 CA CYS A 27 -4.379 6.990 -1.231 1.00 0.00 C ATOM 342 C CYS A 27 -4.755 5.819 -2.134 1.00 0.00 C ATOM 343 O CYS A 27 -4.934 4.695 -1.667 1.00 0.00 O ATOM 344 CB CYS A 27 -2.951 7.447 -1.537 1.00 0.00 C ATOM 345 SG CYS A 27 -1.720 6.103 -1.515 1.00 0.00 S ATOM 0 H CYS A 27 -3.617 6.582 0.678 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.066 7.813 -1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.935 7.924 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.659 8.205 -0.809 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.733 6.432 -0.736 1.00 0.00 H new ATOM 350 N GLU A 28 -4.871 6.092 -3.430 1.00 0.00 N ATOM 351 CA GLU A 28 -5.226 5.061 -4.398 1.00 0.00 C ATOM 352 C GLU A 28 -4.104 4.036 -4.537 1.00 0.00 C ATOM 353 O GLU A 28 -4.341 2.885 -4.903 1.00 0.00 O ATOM 354 CB GLU A 28 -5.528 5.690 -5.760 1.00 0.00 C ATOM 355 CG GLU A 28 -6.733 6.615 -5.749 1.00 0.00 C ATOM 356 CD GLU A 28 -7.451 6.654 -7.084 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.798 6.977 -8.099 1.00 0.00 O ATOM 358 OE2 GLU A 28 -8.664 6.361 -7.115 1.00 0.00 O ATOM 0 H GLU A 28 -4.724 7.017 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.119 4.551 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.654 6.249 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.696 4.896 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.429 6.290 -4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.411 7.622 -5.484 1.00 0.00 H new ATOM 365 N GLY A 29 -2.880 4.463 -4.242 1.00 0.00 N ATOM 366 CA GLY A 29 -1.739 3.571 -4.340 1.00 0.00 C ATOM 367 C GLY A 29 -1.797 2.442 -3.330 1.00 0.00 C ATOM 368 O GLY A 29 -1.551 1.284 -3.668 1.00 0.00 O ATOM 0 H GLY A 29 -2.658 5.411 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.694 3.153 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.822 4.141 -4.191 1.00 0.00 H new ATOM 372 N CYS A 30 -2.121 2.780 -2.086 1.00 0.00 N ATOM 373 CA CYS A 30 -2.208 1.787 -1.023 1.00 0.00 C ATOM 374 C CYS A 30 -3.581 1.122 -1.010 1.00 0.00 C ATOM 375 O CYS A 30 -3.720 -0.036 -0.613 1.00 0.00 O ATOM 376 CB CYS A 30 -1.932 2.437 0.335 1.00 0.00 C ATOM 377 SG CYS A 30 -0.333 3.304 0.432 1.00 0.00 S ATOM 0 H CYS A 30 -2.327 3.734 -1.790 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.455 1.022 -1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.731 3.145 0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.964 1.668 1.107 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.487 4.429 1.065 1.00 0.00 H new ATOM 382 N LYS A 31 -4.594 1.861 -1.449 1.00 0.00 N ATOM 383 CA LYS A 31 -5.957 1.344 -1.491 1.00 0.00 C ATOM 384 C LYS A 31 -6.029 0.064 -2.317 1.00 0.00 C ATOM 385 O LYS A 31 -6.631 -0.924 -1.897 1.00 0.00 O ATOM 386 CB LYS A 31 -6.905 2.394 -2.075 1.00 0.00 C ATOM 387 CG LYS A 31 -8.273 1.844 -2.439 1.00 0.00 C ATOM 388 CD LYS A 31 -8.319 1.371 -3.882 1.00 0.00 C ATOM 389 CE LYS A 31 -8.207 2.536 -4.854 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.659 2.162 -6.222 1.00 0.00 N ATOM 0 H LYS A 31 -4.497 2.821 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.263 1.114 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.028 3.202 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.449 2.828 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.521 1.015 -1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.029 2.614 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.507 0.667 -4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.251 0.835 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.805 3.372 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.173 2.878 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.567 2.983 -6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.072 1.381 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.654 1.860 -6.189 1.00 0.00 H new ATOM 404 N SER A 32 -5.409 0.088 -3.492 1.00 0.00 N ATOM 405 CA SER A 32 -5.404 -1.070 -4.378 1.00 0.00 C ATOM 406 C SER A 32 -4.364 -2.092 -3.930 1.00 0.00 C ATOM 407 O SER A 32 -4.573 -3.300 -4.047 1.00 0.00 O ATOM 408 CB SER A 32 -5.124 -0.637 -5.818 1.00 0.00 C ATOM 409 OG SER A 32 -5.610 -1.594 -6.743 1.00 0.00 O ATOM 0 H SER A 32 -4.903 0.897 -3.853 1.00 0.00 H new ATOM 0 HA SER A 32 -6.389 -1.535 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.593 0.328 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.051 -0.503 -5.959 1.00 0.00 H new ATOM 0 HG SER A 32 -5.420 -1.293 -7.656 1.00 0.00 H new ATOM 415 N PHE A 33 -3.241 -1.599 -3.418 1.00 0.00 N ATOM 416 CA PHE A 33 -2.166 -2.467 -2.954 1.00 0.00 C ATOM 417 C PHE A 33 -2.618 -3.299 -1.757 1.00 0.00 C ATOM 418 O PHE A 33 -2.139 -4.414 -1.545 1.00 0.00 O ATOM 419 CB PHE A 33 -0.937 -1.637 -2.578 1.00 0.00 C ATOM 420 CG PHE A 33 0.137 -2.433 -1.893 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.100 -2.638 -0.524 1.00 0.00 C ATOM 422 CD2 PHE A 33 1.185 -2.975 -2.620 1.00 0.00 C ATOM 423 CE1 PHE A 33 1.087 -3.370 0.109 1.00 0.00 C ATOM 424 CE2 PHE A 33 2.175 -3.708 -1.993 1.00 0.00 C ATOM 425 CZ PHE A 33 2.127 -3.905 -0.627 1.00 0.00 C ATOM 0 H PHE A 33 -3.052 -0.602 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.903 -3.144 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.524 -1.185 -3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.246 -0.821 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.710 -2.221 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.229 -2.823 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.045 -3.524 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.986 -4.126 -2.571 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.901 -4.476 -0.135 1.00 0.00 H new ATOM 435 N PHE A 34 -3.542 -2.749 -0.976 1.00 0.00 N ATOM 436 CA PHE A 34 -4.058 -3.438 0.201 1.00 0.00 C ATOM 437 C PHE A 34 -5.002 -4.568 -0.201 1.00 0.00 C ATOM 438 O PHE A 34 -4.894 -5.689 0.296 1.00 0.00 O ATOM 439 CB PHE A 34 -4.785 -2.452 1.117 1.00 0.00 C ATOM 440 CG PHE A 34 -5.424 -3.103 2.311 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.668 -3.860 3.191 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.781 -2.957 2.552 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.253 -4.460 4.290 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.371 -3.554 3.650 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.606 -4.307 4.520 1.00 0.00 C ATOM 0 H PHE A 34 -3.949 -1.828 -1.137 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.213 -3.868 0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.077 -1.697 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.552 -1.932 0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.609 -3.983 3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.384 -2.370 1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.653 -5.048 4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.429 -3.432 3.828 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.065 -4.775 5.378 1.00 0.00 H new ATOM 455 N LYS A 35 -5.928 -4.264 -1.103 1.00 0.00 N ATOM 456 CA LYS A 35 -6.892 -5.251 -1.574 1.00 0.00 C ATOM 457 C LYS A 35 -6.195 -6.369 -2.342 1.00 0.00 C ATOM 458 O LYS A 35 -6.217 -7.528 -1.927 1.00 0.00 O ATOM 459 CB LYS A 35 -7.943 -4.585 -2.464 1.00 0.00 C ATOM 460 CG LYS A 35 -8.693 -5.560 -3.355 1.00 0.00 C ATOM 461 CD LYS A 35 -9.450 -4.840 -4.458 1.00 0.00 C ATOM 462 CE LYS A 35 -10.074 -5.821 -5.438 1.00 0.00 C ATOM 463 NZ LYS A 35 -11.178 -6.602 -4.815 1.00 0.00 N ATOM 0 H LYS A 35 -6.032 -3.340 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.385 -5.684 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.659 -4.058 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.456 -3.836 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.989 -6.266 -3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.391 -6.141 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.229 -4.217 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.772 -4.173 -4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.457 -5.277 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.308 -6.504 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.610 -7.222 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.799 -7.180 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.897 -5.950 -4.442 1.00 0.00 H new ATOM 477 N ARG A 36 -5.575 -6.014 -3.463 1.00 0.00 N ATOM 478 CA ARG A 36 -4.870 -6.987 -4.288 1.00 0.00 C ATOM 479 C ARG A 36 -4.195 -8.047 -3.422 1.00 0.00 C ATOM 480 O ARG A 36 -4.039 -9.195 -3.838 1.00 0.00 O ATOM 481 CB ARG A 36 -3.828 -6.287 -5.162 1.00 0.00 C ATOM 482 CG ARG A 36 -2.639 -5.752 -4.381 1.00 0.00 C ATOM 483 CD ARG A 36 -1.468 -5.433 -5.298 1.00 0.00 C ATOM 484 NE ARG A 36 -1.812 -4.420 -6.293 1.00 0.00 N ATOM 485 CZ ARG A 36 -1.142 -4.247 -7.427 1.00 0.00 C ATOM 486 NH1 ARG A 36 -0.099 -5.015 -7.708 1.00 0.00 N ATOM 487 NH2 ARG A 36 -1.516 -3.304 -8.282 1.00 0.00 N ATOM 0 H ARG A 36 -5.547 -5.059 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.601 -7.479 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.471 -6.987 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.305 -5.462 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.933 -4.853 -3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.330 -6.487 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.625 -5.084 -4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.145 -6.343 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.610 -3.813 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.191 -5.741 -7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.414 -4.880 -8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.318 -2.711 -8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.001 -3.172 -9.153 1.00 0.00 H new ATOM 501 N SER A 37 -3.796 -7.653 -2.217 1.00 0.00 N ATOM 502 CA SER A 37 -3.134 -8.568 -1.294 1.00 0.00 C ATOM 503 C SER A 37 -4.136 -9.170 -0.314 1.00 0.00 C ATOM 504 O SER A 37 -4.017 -10.331 0.078 1.00 0.00 O ATOM 505 CB SER A 37 -2.028 -7.840 -0.528 1.00 0.00 C ATOM 506 OG SER A 37 -2.566 -6.833 0.311 1.00 0.00 O ATOM 0 H SER A 37 -3.919 -6.707 -1.857 1.00 0.00 H new ATOM 0 HA SER A 37 -2.692 -9.376 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.466 -8.555 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.326 -7.394 -1.233 1.00 0.00 H new ATOM 0 HG SER A 37 -3.388 -6.479 -0.088 1.00 0.00 H new ATOM 512 N VAL A 38 -5.123 -8.371 0.079 1.00 0.00 N ATOM 513 CA VAL A 38 -6.147 -8.824 1.013 1.00 0.00 C ATOM 514 C VAL A 38 -7.135 -9.764 0.332 1.00 0.00 C ATOM 515 O VAL A 38 -7.257 -10.930 0.707 1.00 0.00 O ATOM 516 CB VAL A 38 -6.918 -7.637 1.619 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.059 -8.132 2.496 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.979 -6.739 2.410 1.00 0.00 C ATOM 0 H VAL A 38 -5.235 -7.407 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.633 -9.359 1.811 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.345 -7.051 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.592 -7.279 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.746 -8.730 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.658 -8.742 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.541 -5.905 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.521 -7.312 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.201 -6.355 1.750 1.00 0.00 H new ATOM 528 N ARG A 39 -7.838 -9.248 -0.671 1.00 0.00 N ATOM 529 CA ARG A 39 -8.817 -10.042 -1.405 1.00 0.00 C ATOM 530 C ARG A 39 -8.181 -11.315 -1.956 1.00 0.00 C ATOM 531 O ARG A 39 -8.860 -12.321 -2.159 1.00 0.00 O ATOM 532 CB ARG A 39 -9.415 -9.221 -2.549 1.00 0.00 C ATOM 533 CG ARG A 39 -8.440 -8.960 -3.686 1.00 0.00 C ATOM 534 CD ARG A 39 -8.494 -10.065 -4.730 1.00 0.00 C ATOM 535 NE ARG A 39 -9.816 -10.179 -5.339 1.00 0.00 N ATOM 536 CZ ARG A 39 -10.216 -9.444 -6.371 1.00 0.00 C ATOM 537 NH1 ARG A 39 -9.399 -8.548 -6.907 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.435 -9.606 -6.870 1.00 0.00 N ATOM 0 H ARG A 39 -7.748 -8.285 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.612 -10.323 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.287 -9.743 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.765 -8.267 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.673 -8.004 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.428 -8.882 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.754 -9.868 -5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.225 -11.014 -4.267 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.468 -10.860 -4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.461 -8.422 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.709 -7.985 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.066 -10.295 -6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.741 -9.041 -7.662 1.00 0.00 H new ATOM 552 N ARG A 40 -6.875 -11.262 -2.196 1.00 0.00 N ATOM 553 CA ARG A 40 -6.149 -12.411 -2.725 1.00 0.00 C ATOM 554 C ARG A 40 -5.579 -13.262 -1.594 1.00 0.00 C ATOM 555 O ARG A 40 -5.229 -14.424 -1.794 1.00 0.00 O ATOM 556 CB ARG A 40 -5.020 -11.946 -3.646 1.00 0.00 C ATOM 557 CG ARG A 40 -5.510 -11.289 -4.927 1.00 0.00 C ATOM 558 CD ARG A 40 -4.373 -11.078 -5.914 1.00 0.00 C ATOM 559 NE ARG A 40 -4.749 -10.169 -6.995 1.00 0.00 N ATOM 560 CZ ARG A 40 -3.869 -9.526 -7.753 1.00 0.00 C ATOM 561 NH1 ARG A 40 -2.569 -9.690 -7.551 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.288 -8.716 -8.717 1.00 0.00 N ATOM 0 H ARG A 40 -6.298 -10.437 -2.033 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.849 -13.020 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.388 -11.242 -3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.396 -12.802 -3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.280 -11.910 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.972 -10.330 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.506 -10.678 -5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.075 -12.038 -6.335 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.742 -10.021 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.242 -10.312 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.896 -9.194 -8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.287 -8.587 -8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.611 -8.223 -9.299 1.00 0.00 H new ATOM 576 N ASN A 41 -5.489 -12.674 -0.405 1.00 0.00 N ATOM 577 CA ASN A 41 -4.961 -13.377 0.758 1.00 0.00 C ATOM 578 C ASN A 41 -3.483 -13.709 0.568 1.00 0.00 C ATOM 579 O ASN A 41 -3.031 -14.801 0.914 1.00 0.00 O ATOM 580 CB ASN A 41 -5.755 -14.661 1.007 1.00 0.00 C ATOM 581 CG ASN A 41 -5.452 -15.275 2.360 1.00 0.00 C ATOM 582 OD1 ASN A 41 -5.094 -14.573 3.307 1.00 0.00 O ATOM 583 ND2 ASN A 41 -5.593 -16.592 2.458 1.00 0.00 N ATOM 0 H ASN A 41 -5.775 -11.712 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.060 -12.722 1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.821 -14.444 0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.527 -15.384 0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.402 -17.061 3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.892 -17.135 1.648 1.00 0.00 H new ATOM 590 N LEU A 42 -2.736 -12.759 0.017 1.00 0.00 N ATOM 591 CA LEU A 42 -1.308 -12.948 -0.218 1.00 0.00 C ATOM 592 C LEU A 42 -0.513 -12.742 1.067 1.00 0.00 C ATOM 593 O LEU A 42 -0.939 -12.015 1.965 1.00 0.00 O ATOM 594 CB LEU A 42 -0.817 -11.982 -1.297 1.00 0.00 C ATOM 595 CG LEU A 42 -1.740 -11.794 -2.501 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.099 -10.871 -3.526 1.00 0.00 C ATOM 597 CD2 LEU A 42 -2.078 -13.138 -3.128 1.00 0.00 C ATOM 0 H LEU A 42 -3.095 -11.850 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.153 -13.972 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.651 -11.008 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.150 -12.333 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.666 -11.333 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.770 -10.749 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.909 -9.899 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.158 -11.303 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.736 -12.985 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.161 -13.626 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.580 -13.767 -2.392 1.00 0.00 H new ATOM 609 N THR A 43 0.648 -13.385 1.148 1.00 0.00 N ATOM 610 CA THR A 43 1.504 -13.272 2.322 1.00 0.00 C ATOM 611 C THR A 43 2.958 -13.050 1.922 1.00 0.00 C ATOM 612 O THR A 43 3.661 -13.991 1.551 1.00 0.00 O ATOM 613 CB THR A 43 1.413 -14.530 3.207 1.00 0.00 C ATOM 614 OG1 THR A 43 0.053 -14.763 3.589 1.00 0.00 O ATOM 615 CG2 THR A 43 2.276 -14.379 4.451 1.00 0.00 C ATOM 0 H THR A 43 1.017 -13.990 0.414 1.00 0.00 H new ATOM 0 HA THR A 43 1.150 -12.411 2.890 1.00 0.00 H new ATOM 0 HB THR A 43 1.778 -15.380 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.004 -15.565 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.196 -15.279 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.315 -14.231 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.936 -13.519 5.028 1.00 0.00 H new ATOM 623 N TYR A 44 3.404 -11.801 2.001 1.00 0.00 N ATOM 624 CA TYR A 44 4.776 -11.456 1.646 1.00 0.00 C ATOM 625 C TYR A 44 5.727 -11.743 2.803 1.00 0.00 C ATOM 626 O TYR A 44 5.314 -11.810 3.961 1.00 0.00 O ATOM 627 CB TYR A 44 4.866 -9.981 1.251 1.00 0.00 C ATOM 628 CG TYR A 44 3.723 -9.517 0.376 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.443 -10.151 -0.828 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.924 -8.445 0.752 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.401 -9.731 -1.632 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.879 -8.018 -0.044 1.00 0.00 C ATOM 633 CZ TYR A 44 1.621 -8.664 -1.235 1.00 0.00 C ATOM 634 OH TYR A 44 0.582 -8.242 -2.031 1.00 0.00 O ATOM 0 H TYR A 44 2.836 -11.011 2.307 1.00 0.00 H new ATOM 0 HA TYR A 44 5.071 -12.072 0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.891 -9.372 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.806 -9.811 0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.051 -10.987 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.123 -7.936 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.198 -10.235 -2.566 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.267 -7.183 0.264 1.00 0.00 H new ATOM 0 HH TYR A 44 0.795 -8.423 -2.970 1.00 0.00 H new ATOM 644 N THR A 45 7.006 -11.912 2.481 1.00 0.00 N ATOM 645 CA THR A 45 8.018 -12.193 3.492 1.00 0.00 C ATOM 646 C THR A 45 9.077 -11.097 3.528 1.00 0.00 C ATOM 647 O THR A 45 9.955 -11.039 2.666 1.00 0.00 O ATOM 648 CB THR A 45 8.706 -13.548 3.237 1.00 0.00 C ATOM 649 OG1 THR A 45 7.728 -14.593 3.193 1.00 0.00 O ATOM 650 CG2 THR A 45 9.728 -13.848 4.323 1.00 0.00 C ATOM 0 H THR A 45 7.365 -11.859 1.528 1.00 0.00 H new ATOM 0 HA THR A 45 7.504 -12.230 4.453 1.00 0.00 H new ATOM 0 HB THR A 45 9.223 -13.494 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.173 -15.451 3.029 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.201 -14.809 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.487 -13.066 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.230 -13.884 5.292 1.00 0.00 H new ATOM 658 N CYS A 46 8.991 -10.231 4.532 1.00 0.00 N ATOM 659 CA CYS A 46 9.943 -9.136 4.681 1.00 0.00 C ATOM 660 C CYS A 46 11.324 -9.664 5.057 1.00 0.00 C ATOM 661 O CYS A 46 11.600 -9.934 6.227 1.00 0.00 O ATOM 662 CB CYS A 46 9.455 -8.150 5.744 1.00 0.00 C ATOM 663 SG CYS A 46 10.655 -6.842 6.153 1.00 0.00 S ATOM 0 H CYS A 46 8.272 -10.266 5.255 1.00 0.00 H new ATOM 0 HA CYS A 46 10.019 -8.620 3.724 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.532 -7.686 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.212 -8.702 6.652 1.00 0.00 H new ATOM 0 HG CYS A 46 10.030 -5.713 6.308 1.00 0.00 H new ATOM 668 N ARG A 47 12.189 -9.808 4.058 1.00 0.00 N ATOM 669 CA ARG A 47 13.541 -10.304 4.284 1.00 0.00 C ATOM 670 C ARG A 47 14.256 -9.471 5.344 1.00 0.00 C ATOM 671 O ARG A 47 15.294 -9.874 5.867 1.00 0.00 O ATOM 672 CB ARG A 47 14.339 -10.282 2.979 1.00 0.00 C ATOM 673 CG ARG A 47 15.754 -10.820 3.121 1.00 0.00 C ATOM 674 CD ARG A 47 15.756 -12.316 3.396 1.00 0.00 C ATOM 675 NE ARG A 47 16.907 -12.724 4.196 1.00 0.00 N ATOM 676 CZ ARG A 47 17.222 -13.992 4.437 1.00 0.00 C ATOM 677 NH1 ARG A 47 16.476 -14.970 3.942 1.00 0.00 N ATOM 678 NH2 ARG A 47 18.286 -14.283 5.175 1.00 0.00 N ATOM 0 H ARG A 47 11.977 -9.588 3.085 1.00 0.00 H new ATOM 0 HA ARG A 47 13.469 -11.331 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.809 -10.870 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.384 -9.258 2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.315 -10.616 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.263 -10.299 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.838 -12.590 3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.761 -12.858 2.451 1.00 0.00 H new ATOM 0 HE ARG A 47 17.502 -11.996 4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.658 -14.750 3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.721 -15.942 4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.862 -13.533 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.528 -15.257 5.360 1.00 0.00 H new ATOM 692 N ALA A 48 13.693 -8.308 5.654 1.00 0.00 N ATOM 693 CA ALA A 48 14.275 -7.420 6.652 1.00 0.00 C ATOM 694 C ALA A 48 13.668 -7.668 8.029 1.00 0.00 C ATOM 695 O ALA A 48 12.895 -8.606 8.217 1.00 0.00 O ATOM 696 CB ALA A 48 14.083 -5.967 6.243 1.00 0.00 C ATOM 0 H ALA A 48 12.834 -7.959 5.228 1.00 0.00 H new ATOM 0 HA ALA A 48 15.343 -7.631 6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.523 -5.315 6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.570 -5.792 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.018 -5.752 6.154 1.00 0.00 H new ATOM 702 N ASN A 49 14.024 -6.820 8.989 1.00 0.00 N ATOM 703 CA ASN A 49 13.515 -6.949 10.350 1.00 0.00 C ATOM 704 C ASN A 49 12.120 -6.344 10.468 1.00 0.00 C ATOM 705 O ASN A 49 11.725 -5.872 11.535 1.00 0.00 O ATOM 706 CB ASN A 49 14.464 -6.268 11.338 1.00 0.00 C ATOM 707 CG ASN A 49 15.760 -7.035 11.517 1.00 0.00 C ATOM 708 OD1 ASN A 49 15.955 -7.720 12.522 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.654 -6.923 10.541 1.00 0.00 N ATOM 0 H ASN A 49 14.662 -6.037 8.850 1.00 0.00 H new ATOM 0 HA ASN A 49 13.453 -8.011 10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.687 -5.260 10.988 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.968 -6.167 12.303 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.545 -7.416 10.606 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.450 -6.344 9.726 1.00 0.00 H new ATOM 716 N ARG A 50 11.378 -6.361 9.366 1.00 0.00 N ATOM 717 CA ARG A 50 10.027 -5.814 9.345 1.00 0.00 C ATOM 718 C ARG A 50 10.006 -4.397 9.911 1.00 0.00 C ATOM 719 O ARG A 50 9.069 -4.010 10.608 1.00 0.00 O ATOM 720 CB ARG A 50 9.079 -6.708 10.147 1.00 0.00 C ATOM 721 CG ARG A 50 8.934 -8.109 9.575 1.00 0.00 C ATOM 722 CD ARG A 50 8.059 -8.984 10.458 1.00 0.00 C ATOM 723 NE ARG A 50 8.835 -9.676 11.484 1.00 0.00 N ATOM 724 CZ ARG A 50 9.749 -10.601 11.215 1.00 0.00 C ATOM 725 NH1 ARG A 50 10.000 -10.944 9.959 1.00 0.00 N ATOM 726 NH2 ARG A 50 10.414 -11.186 12.203 1.00 0.00 N ATOM 0 H ARG A 50 11.690 -6.748 8.475 1.00 0.00 H new ATOM 0 HA ARG A 50 9.692 -5.779 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.441 -6.779 11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.097 -6.238 10.187 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.502 -8.052 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.919 -8.565 9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.295 -8.369 10.934 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.539 -9.717 9.841 1.00 0.00 H new ATOM 0 HE ARG A 50 8.666 -9.436 12.461 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.491 -10.497 9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.703 -11.655 9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.223 -10.925 13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.116 -11.896 11.995 1.00 0.00 H new ATOM 740 N ASN A 51 11.047 -3.628 9.607 1.00 0.00 N ATOM 741 CA ASN A 51 11.148 -2.254 10.086 1.00 0.00 C ATOM 742 C ASN A 51 11.388 -1.291 8.927 1.00 0.00 C ATOM 743 O ASN A 51 11.844 -0.165 9.127 1.00 0.00 O ATOM 744 CB ASN A 51 12.280 -2.131 11.109 1.00 0.00 C ATOM 745 CG ASN A 51 13.609 -2.614 10.561 1.00 0.00 C ATOM 746 OD1 ASN A 51 13.660 -3.300 9.540 1.00 0.00 O ATOM 747 ND2 ASN A 51 14.693 -2.257 11.240 1.00 0.00 N ATOM 0 H ASN A 51 11.832 -3.933 9.032 1.00 0.00 H new ATOM 0 HA ASN A 51 10.205 -1.991 10.564 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.374 -1.090 11.419 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.026 -2.707 11.999 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.615 -2.552 10.920 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.603 -1.687 12.081 1.00 0.00 H new ATOM 754 N CYS A 52 11.076 -1.741 7.717 1.00 0.00 N ATOM 755 CA CYS A 52 11.256 -0.920 6.525 1.00 0.00 C ATOM 756 C CYS A 52 10.402 0.342 6.600 1.00 0.00 C ATOM 757 O CYS A 52 9.204 0.295 6.881 1.00 0.00 O ATOM 758 CB CYS A 52 10.898 -1.719 5.271 1.00 0.00 C ATOM 759 SG CYS A 52 11.502 -3.437 5.286 1.00 0.00 S ATOM 0 H CYS A 52 10.697 -2.670 7.535 1.00 0.00 H new ATOM 0 HA CYS A 52 12.304 -0.625 6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.814 -1.727 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.307 -1.209 4.399 1.00 0.00 H new ATOM 0 HG CYS A 52 10.625 -4.210 4.717 1.00 0.00 H new ATOM 764 N PRO A 53 11.030 1.499 6.341 1.00 0.00 N ATOM 765 CA PRO A 53 10.347 2.795 6.372 1.00 0.00 C ATOM 766 C PRO A 53 9.363 2.959 5.219 1.00 0.00 C ATOM 767 O PRO A 53 9.764 3.163 4.073 1.00 0.00 O ATOM 768 CB PRO A 53 11.492 3.803 6.245 1.00 0.00 C ATOM 769 CG PRO A 53 12.576 3.058 5.546 1.00 0.00 C ATOM 770 CD PRO A 53 12.457 1.629 5.999 1.00 0.00 C ATOM 0 HA PRO A 53 9.750 2.919 7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.185 4.681 5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.820 4.155 7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.467 3.135 4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.555 3.467 5.797 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.747 0.932 5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.097 1.425 6.858 1.00 0.00 H new ATOM 778 N ILE A 54 8.074 2.869 5.529 1.00 0.00 N ATOM 779 CA ILE A 54 7.034 3.009 4.518 1.00 0.00 C ATOM 780 C ILE A 54 6.605 4.464 4.369 1.00 0.00 C ATOM 781 O ILE A 54 5.755 4.952 5.115 1.00 0.00 O ATOM 782 CB ILE A 54 5.799 2.154 4.859 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.194 0.683 5.003 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.729 2.319 3.790 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.850 0.109 3.766 1.00 0.00 C ATOM 0 H ILE A 54 7.725 2.700 6.472 1.00 0.00 H new ATOM 0 HA ILE A 54 7.459 2.660 3.577 1.00 0.00 H new ATOM 0 HB ILE A 54 5.390 2.495 5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.876 0.579 5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.305 0.098 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.863 1.709 4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.431 3.366 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.126 2.001 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.103 -0.937 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.163 0.180 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.758 0.669 3.542 1.00 0.00 H new ATOM 797 N ASP A 55 7.197 5.153 3.399 1.00 0.00 N ATOM 798 CA ASP A 55 6.874 6.553 3.149 1.00 0.00 C ATOM 799 C ASP A 55 6.262 6.730 1.763 1.00 0.00 C ATOM 800 O ASP A 55 6.012 5.755 1.056 1.00 0.00 O ATOM 801 CB ASP A 55 8.128 7.419 3.282 1.00 0.00 C ATOM 802 CG ASP A 55 8.335 7.925 4.696 1.00 0.00 C ATOM 803 OD1 ASP A 55 8.997 7.220 5.487 1.00 0.00 O ATOM 804 OD2 ASP A 55 7.837 9.025 5.011 1.00 0.00 O ATOM 0 H ASP A 55 7.903 4.765 2.773 1.00 0.00 H new ATOM 0 HA ASP A 55 6.143 6.871 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.999 6.841 2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.053 8.268 2.603 1.00 0.00 H new ATOM 809 N GLN A 56 6.023 7.982 1.383 1.00 0.00 N ATOM 810 CA GLN A 56 5.439 8.286 0.082 1.00 0.00 C ATOM 811 C GLN A 56 6.526 8.568 -0.950 1.00 0.00 C ATOM 812 O GLN A 56 6.626 7.877 -1.965 1.00 0.00 O ATOM 813 CB GLN A 56 4.498 9.487 0.190 1.00 0.00 C ATOM 814 CG GLN A 56 4.168 10.124 -1.150 1.00 0.00 C ATOM 815 CD GLN A 56 4.043 9.105 -2.265 1.00 0.00 C ATOM 816 OE1 GLN A 56 3.372 7.995 -1.981 1.00 0.00 O flip ATOM 817 NE2 GLN A 56 4.544 9.313 -3.371 1.00 0.00 N flip ATOM 0 H GLN A 56 6.225 8.801 1.957 1.00 0.00 H new ATOM 0 HA GLN A 56 4.870 7.416 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.572 9.170 0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.953 10.237 0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.234 10.679 -1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.945 10.844 -1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.052 10.180 -3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.451 8.618 -4.112 1.00 0.00 H new ATOM 915 N CYS A 62 9.118 -2.012 0.755 1.00 0.00 N ATOM 916 CA CYS A 62 8.799 -3.360 1.211 1.00 0.00 C ATOM 917 C CYS A 62 7.320 -3.670 1.000 1.00 0.00 C ATOM 918 O CYS A 62 6.476 -2.775 1.046 1.00 0.00 O ATOM 919 CB CYS A 62 9.160 -3.520 2.689 1.00 0.00 C ATOM 920 SG CYS A 62 8.830 -5.181 3.359 1.00 0.00 S ATOM 0 HA CYS A 62 9.387 -4.064 0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.217 -3.290 2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.600 -2.788 3.270 1.00 0.00 H new ATOM 0 HG CYS A 62 8.636 -5.101 4.642 1.00 0.00 H new ATOM 925 N GLN A 63 7.014 -4.943 0.771 1.00 0.00 N ATOM 926 CA GLN A 63 5.637 -5.370 0.553 1.00 0.00 C ATOM 927 C GLN A 63 4.958 -5.711 1.875 1.00 0.00 C ATOM 928 O GLN A 63 3.965 -5.090 2.253 1.00 0.00 O ATOM 929 CB GLN A 63 5.598 -6.580 -0.382 1.00 0.00 C ATOM 930 CG GLN A 63 6.013 -6.260 -1.809 1.00 0.00 C ATOM 931 CD GLN A 63 6.606 -7.457 -2.526 1.00 0.00 C ATOM 932 OE1 GLN A 63 7.628 -8.002 -2.110 1.00 0.00 O ATOM 933 NE2 GLN A 63 5.965 -7.873 -3.612 1.00 0.00 N ATOM 0 H GLN A 63 7.701 -5.696 0.732 1.00 0.00 H new ATOM 0 HA GLN A 63 5.096 -4.545 0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.254 -7.355 0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.588 -6.990 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.146 -5.902 -2.364 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.742 -5.450 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.121 -7.392 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.317 -8.674 -4.136 1.00 0.00 H new ATOM 942 N TYR A 64 5.499 -6.703 2.573 1.00 0.00 N ATOM 943 CA TYR A 64 4.943 -7.129 3.852 1.00 0.00 C ATOM 944 C TYR A 64 4.736 -5.937 4.781 1.00 0.00 C ATOM 945 O TYR A 64 3.642 -5.726 5.306 1.00 0.00 O ATOM 946 CB TYR A 64 5.865 -8.153 4.517 1.00 0.00 C ATOM 947 CG TYR A 64 5.648 -8.286 6.007 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.343 -7.485 6.905 1.00 0.00 C ATOM 949 CD2 TYR A 64 4.747 -9.213 6.518 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.148 -7.604 8.267 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.544 -9.337 7.879 1.00 0.00 C ATOM 952 CZ TYR A 64 5.247 -8.531 8.749 1.00 0.00 C ATOM 953 OH TYR A 64 5.049 -8.651 10.106 1.00 0.00 O ATOM 0 H TYR A 64 6.322 -7.227 2.275 1.00 0.00 H new ATOM 0 HA TYR A 64 3.974 -7.591 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.712 -9.125 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.901 -7.869 4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.048 -6.757 6.531 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.196 -9.847 5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.698 -6.975 8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.839 -10.061 8.259 1.00 0.00 H new ATOM 0 HH TYR A 64 4.382 -9.348 10.279 1.00 0.00 H new ATOM 963 N CYS A 65 5.794 -5.158 4.978 1.00 0.00 N ATOM 964 CA CYS A 65 5.731 -3.986 5.843 1.00 0.00 C ATOM 965 C CYS A 65 4.602 -3.053 5.413 1.00 0.00 C ATOM 966 O CYS A 65 3.660 -2.814 6.168 1.00 0.00 O ATOM 967 CB CYS A 65 7.064 -3.236 5.818 1.00 0.00 C ATOM 968 SG CYS A 65 8.359 -3.985 6.858 1.00 0.00 S ATOM 0 H CYS A 65 6.706 -5.317 4.550 1.00 0.00 H new ATOM 0 HA CYS A 65 5.531 -4.325 6.859 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.422 -3.187 4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.898 -2.210 6.146 1.00 0.00 H new ATOM 0 HG CYS A 65 9.521 -3.801 6.304 1.00 0.00 H new ATOM 973 N ARG A 66 4.705 -2.530 4.195 1.00 0.00 N ATOM 974 CA ARG A 66 3.694 -1.624 3.665 1.00 0.00 C ATOM 975 C ARG A 66 2.293 -2.189 3.877 1.00 0.00 C ATOM 976 O ARG A 66 1.412 -1.512 4.410 1.00 0.00 O ATOM 977 CB ARG A 66 3.935 -1.372 2.176 1.00 0.00 C ATOM 978 CG ARG A 66 2.870 -0.505 1.524 1.00 0.00 C ATOM 979 CD ARG A 66 3.396 0.176 0.271 1.00 0.00 C ATOM 980 NE ARG A 66 2.315 0.678 -0.574 1.00 0.00 N ATOM 981 CZ ARG A 66 2.514 1.284 -1.739 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.746 1.463 -2.195 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.480 1.712 -2.451 1.00 0.00 N ATOM 0 H ARG A 66 5.478 -2.719 3.557 1.00 0.00 H new ATOM 0 HA ARG A 66 3.771 -0.679 4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.907 -0.895 2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.980 -2.329 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.005 -1.118 1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.529 0.249 2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.048 1.002 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.003 -0.529 -0.297 1.00 0.00 H new ATOM 0 HE ARG A 66 1.355 0.556 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.544 1.135 -1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.896 1.929 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.531 1.576 -2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.634 2.177 -3.346 1.00 0.00 H new ATOM 997 N LEU A 67 2.092 -3.433 3.456 1.00 0.00 N ATOM 998 CA LEU A 67 0.798 -4.090 3.599 1.00 0.00 C ATOM 999 C LEU A 67 0.344 -4.088 5.055 1.00 0.00 C ATOM 1000 O LEU A 67 -0.729 -3.580 5.382 1.00 0.00 O ATOM 1001 CB LEU A 67 0.872 -5.526 3.078 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.037 -6.540 3.773 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.499 -6.216 3.509 1.00 0.00 C ATOM 1004 CD2 LEU A 67 0.290 -7.953 3.311 1.00 0.00 C ATOM 0 H LEU A 67 2.809 -4.007 3.013 1.00 0.00 H new ATOM 0 HA LEU A 67 0.069 -3.534 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.629 -5.519 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.902 -5.871 3.167 1.00 0.00 H new ATOM 0 HG LEU A 67 0.138 -6.480 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.131 -6.949 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.725 -5.220 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.691 -6.247 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.366 -8.662 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.143 -8.027 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.328 -8.184 3.553 1.00 0.00 H new ATOM 1016 N LYS A 68 1.168 -4.658 5.927 1.00 0.00 N ATOM 1017 CA LYS A 68 0.855 -4.720 7.350 1.00 0.00 C ATOM 1018 C LYS A 68 0.409 -3.357 7.869 1.00 0.00 C ATOM 1019 O LYS A 68 -0.626 -3.238 8.524 1.00 0.00 O ATOM 1020 CB LYS A 68 2.072 -5.206 8.140 1.00 0.00 C ATOM 1021 CG LYS A 68 2.282 -6.709 8.071 1.00 0.00 C ATOM 1022 CD LYS A 68 1.221 -7.457 8.862 1.00 0.00 C ATOM 1023 CE LYS A 68 1.152 -8.921 8.455 1.00 0.00 C ATOM 1024 NZ LYS A 68 -0.209 -9.489 8.659 1.00 0.00 N ATOM 0 H LYS A 68 2.059 -5.084 5.673 1.00 0.00 H new ATOM 0 HA LYS A 68 0.036 -5.426 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.963 -4.705 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.959 -4.911 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.258 -7.033 7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.270 -6.958 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.441 -7.384 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.250 -6.988 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.434 -9.020 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.875 -9.494 9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.215 -10.488 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.468 -9.417 9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.896 -8.959 8.086 1.00 0.00 H new ATOM 1038 N LYS A 69 1.197 -2.329 7.570 1.00 0.00 N ATOM 1039 CA LYS A 69 0.883 -0.973 8.004 1.00 0.00 C ATOM 1040 C LYS A 69 -0.601 -0.673 7.821 1.00 0.00 C ATOM 1041 O LYS A 69 -1.168 0.158 8.531 1.00 0.00 O ATOM 1042 CB LYS A 69 1.720 0.041 7.221 1.00 0.00 C ATOM 1043 CG LYS A 69 1.228 1.472 7.359 1.00 0.00 C ATOM 1044 CD LYS A 69 2.385 2.453 7.443 1.00 0.00 C ATOM 1045 CE LYS A 69 2.751 2.760 8.887 1.00 0.00 C ATOM 1046 NZ LYS A 69 1.644 3.447 9.607 1.00 0.00 N ATOM 0 H LYS A 69 2.058 -2.410 7.029 1.00 0.00 H new ATOM 0 HA LYS A 69 1.123 -0.892 9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.754 -0.013 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.717 -0.235 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.597 1.725 6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.609 1.561 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.252 2.040 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.118 3.377 6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.999 1.833 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.643 3.386 8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.034 4.003 10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.143 4.080 8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.980 2.739 9.979 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.224 -1.355 6.866 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.644 -1.162 6.591 1.00 0.00 C ATOM 1062 C CYS A 70 -3.498 -1.711 7.728 1.00 0.00 C ATOM 1063 O CYS A 70 -4.429 -1.053 8.194 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.026 -1.841 5.275 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.061 -1.286 3.850 1.00 0.00 S ATOM 0 H CYS A 70 -0.769 -2.046 6.270 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.830 -0.091 6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.904 -2.918 5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.082 -1.659 5.078 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.793 -1.391 4.117 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.177 -2.922 8.171 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.916 -3.562 9.253 1.00 0.00 C ATOM 1073 C LEU A 71 -3.644 -2.868 10.584 1.00 0.00 C ATOM 1074 O LEU A 71 -4.372 -3.059 11.557 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.538 -5.041 9.350 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.694 -5.860 8.068 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.007 -7.209 8.209 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.166 -6.041 7.727 1.00 0.00 C ATOM 0 H LEU A 71 -2.410 -3.480 7.797 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.980 -3.479 9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.500 -5.109 9.677 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.148 -5.501 10.127 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.217 -5.317 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.129 -7.777 7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.945 -7.058 8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.454 -7.760 9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.258 -6.626 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.667 -6.562 8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.629 -5.065 7.582 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.591 -2.058 10.618 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.223 -1.331 11.827 1.00 0.00 C ATOM 1092 C LYS A 72 -2.918 0.026 11.879 1.00 0.00 C ATOM 1093 O LYS A 72 -3.632 0.332 12.834 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.706 -1.141 11.891 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.238 -0.391 13.126 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.193 1.109 12.884 1.00 0.00 C ATOM 1097 CE LYS A 72 0.261 1.861 14.125 1.00 0.00 C ATOM 1098 NZ LYS A 72 -0.818 1.945 15.148 1.00 0.00 N ATOM 0 H LYS A 72 -1.977 -1.889 9.821 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.546 -1.919 12.686 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.225 -2.119 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.378 -0.601 11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.907 -0.606 13.959 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.752 -0.744 13.414 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.485 1.325 12.058 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.181 1.460 12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.130 1.363 14.554 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.576 2.866 13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.469 2.465 15.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.638 2.443 14.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.101 0.986 15.434 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.706 0.834 10.845 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.315 2.157 10.772 1.00 0.00 C ATOM 1114 C VAL A 73 -4.816 2.086 11.030 1.00 0.00 C ATOM 1115 O VAL A 73 -5.386 2.962 11.680 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.072 2.812 9.399 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.589 3.079 9.190 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.627 1.936 8.286 1.00 0.00 C ATOM 0 H VAL A 73 -2.117 0.596 10.047 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.845 2.765 11.545 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.596 3.768 9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.436 3.542 8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.226 3.748 9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.040 2.138 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.447 2.414 7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.133 0.964 8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.699 1.801 8.429 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.451 1.037 10.517 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.880 0.871 10.703 1.00 0.00 C ATOM 1130 C GLY A 74 -7.514 0.036 9.608 1.00 0.00 C ATOM 1131 O GLY A 74 -8.476 -0.693 9.852 1.00 0.00 O ATOM 0 H GLY A 74 -5.001 0.299 9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.065 0.400 11.668 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.356 1.851 10.730 1.00 0.00 H new ATOM 1135 N MET A 75 -6.976 0.142 8.398 1.00 0.00 N ATOM 1136 CA MET A 75 -7.496 -0.610 7.262 1.00 0.00 C ATOM 1137 C MET A 75 -7.880 -2.026 7.677 1.00 0.00 C ATOM 1138 O MET A 75 -7.033 -2.808 8.109 1.00 0.00 O ATOM 1139 CB MET A 75 -6.459 -0.659 6.138 1.00 0.00 C ATOM 1140 CG MET A 75 -5.819 0.688 5.842 1.00 0.00 C ATOM 1141 SD MET A 75 -4.941 0.709 4.268 1.00 0.00 S ATOM 1142 CE MET A 75 -6.280 0.366 3.129 1.00 0.00 C ATOM 0 H MET A 75 -6.180 0.741 8.179 1.00 0.00 H new ATOM 0 HA MET A 75 -8.390 -0.102 6.900 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.679 -1.372 6.405 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.935 -1.033 5.232 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.590 1.458 5.834 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.125 0.940 6.644 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.901 -0.210 2.285 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.055 -0.205 3.640 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.700 1.305 2.768 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.162 -2.350 7.543 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.658 -3.672 7.906 1.00 0.00 C ATOM 1154 C ARG A 76 -9.870 -4.533 6.665 1.00 0.00 C ATOM 1155 O ARG A 76 -10.410 -4.069 5.660 1.00 0.00 O ATOM 1156 CB ARG A 76 -10.968 -3.552 8.687 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.094 -2.911 7.892 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.063 -2.168 8.798 1.00 0.00 C ATOM 1159 NE ARG A 76 -12.485 -0.932 9.321 1.00 0.00 N ATOM 1160 CZ ARG A 76 -12.975 -0.278 10.368 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -14.045 -0.738 11.001 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -12.394 0.840 10.784 1.00 0.00 N ATOM 0 H ARG A 76 -9.876 -1.715 7.186 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.910 -4.152 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.281 -4.545 9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.791 -2.965 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.676 -2.220 7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.631 -3.679 7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.973 -1.937 8.244 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.351 -2.813 9.628 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.661 -0.551 8.857 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.495 -1.597 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.418 -0.233 11.805 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.571 1.198 10.300 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.771 1.342 11.588 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.441 -5.789 6.741 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.582 -6.714 5.623 1.00 0.00 C ATOM 1178 C ARG A 77 -11.052 -6.923 5.273 1.00 0.00 C ATOM 1179 O ARG A 77 -11.430 -6.899 4.102 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.931 -8.057 5.959 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.436 -7.960 6.221 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.839 -9.321 6.544 1.00 0.00 C ATOM 1183 NE ARG A 77 -5.397 -9.353 6.314 1.00 0.00 N ATOM 1184 CZ ARG A 77 -4.644 -10.429 6.520 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -5.194 -11.553 6.958 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -3.339 -10.380 6.288 1.00 0.00 N ATOM 0 H ARG A 77 -8.993 -6.189 7.565 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.078 -6.280 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.419 -8.478 6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.103 -8.751 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.938 -7.541 5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.254 -7.275 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.046 -9.570 7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.321 -10.083 5.932 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.943 -8.504 5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.197 -11.594 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.614 -12.377 7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.913 -9.517 5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.762 -11.206 6.446 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.876 -7.128 6.296 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.304 -7.343 6.095 1.00 0.00 C ATOM 1202 C GLU A 78 -13.864 -6.355 5.076 1.00 0.00 C ATOM 1203 O GLU A 78 -14.793 -6.673 4.334 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.054 -7.206 7.421 1.00 0.00 C ATOM 1205 CG GLU A 78 -13.920 -5.832 8.057 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.896 -5.620 9.198 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -14.876 -6.425 10.152 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -15.678 -4.648 9.138 1.00 0.00 O ATOM 0 H GLU A 78 -11.579 -7.150 7.272 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.443 -8.353 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.110 -7.419 7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.683 -7.957 8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.902 -5.704 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.082 -5.067 7.298 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.293 -5.156 5.047 1.00 0.00 N ATOM 1216 CA ALA A 79 -13.734 -4.122 4.119 1.00 0.00 C ATOM 1217 C ALA A 79 -13.456 -4.525 2.675 1.00 0.00 C ATOM 1218 O ALA A 79 -14.348 -4.488 1.827 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.053 -2.800 4.440 1.00 0.00 C ATOM 0 H ALA A 79 -12.524 -4.876 5.656 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.811 -4.001 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.391 -2.037 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.306 -2.498 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.973 -2.917 4.355 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.214 -4.911 2.402 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.819 -5.322 1.060 1.00 0.00 C ATOM 1227 C VAL A 80 -12.881 -6.211 0.423 1.00 0.00 C ATOM 1228 O VAL A 80 -13.369 -5.924 -0.670 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.476 -6.077 1.077 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.124 -6.572 -0.318 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.372 -5.188 1.630 1.00 0.00 C ATOM 0 H VAL A 80 -11.464 -4.948 3.092 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.709 -4.412 0.470 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.575 -6.944 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.172 -7.103 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.904 -7.246 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.043 -5.722 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.431 -5.737 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.271 -4.301 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.622 -4.888 2.648 1.00 0.00 H new